ORALS

SESSION: AdvancedMaterialsMonAM-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Mon. 28 Nov. 2022 / Room: Saitong
Session Chairs: Fernand Marquis; Session Monitor: TBA

11:30: [AdvancedMaterialsMonAM01] OS Plenary
The Role of Transformative Materials and Technologies in Energy, Environment and Sustainability
Fernand Marquis¹ ; ¹San Diego State University, San Diego, United States;
Paper Id: 97 [Abstract]

Sustainable development is a comprehensive and complex system of systems requiring multidisciplinary and interdisciplinary science and technology inputs with economic, environment and social objectives. The trade space is very wide, and the multitude of trade-offs generate considerable challenges and make it often difficult to achieve an effective balance. During the last sixty years the planet’s population has grown exponentially, from 2.5 to 7.5 billion people, and the technological progress achieved has been tremendous, especially in the industrialized countries. These trends are expected to continue, even at faster rates. All these associated technological activities in the pursuit of better living standards have created a considerable depletion of resources and pollution of land, water and air. Thus, and because most of our resources are limited, it is imperative that we achieve more with less. In broad terms, sustainable development is achieved when the present needs and challenges are met without placing in jeopardy the ability of future generations to meet their own needs and challenges. The global energy demand is expected to increase exponentially, associated with the increase in the global population. The three main reserves of fossil fuels: oil, natural gas and coal are decreasing very rapidly and will not always be available to meet the global demands soon. The continuation of fossil fuel emissions will be environmentally deleterious, and there is already a need to remediate some of the deleterious effects already sustained by the environment. Energy security has become a major and critical issue as fossil fuels are confined to a few areas in the world and their availability is controlled by political, economic and ecological factors. This means that in a short term, considerable energy efficiencies and savings must be achieved, and alternative and renewable sources of energy must be developed. To enable all these technologies considerable advances in energy storage and conversion materials and technologies such as batteries, super capacitors and fuel cells must be achieved. The transportation industry has by far the largest share of global oil consumption and is now the major producer of global greenhouse gas emissions in most industrialized countries. Mobility projections show that it is expected to triple by 2050 with associated energy use and environmental impact. Considerable achievements have recently been obtained in the development of new and advanced materials such as light weight metallic alloys, metal matrix composites, intermetallic and carbon fiber composites and hybrid materials. Nano, nano-structured and nano-hybrid materials systems and nanotechnologies have also been deployed with significant impact. In addition, component redesign using a materials and functional systems integration approach is being used resulting in considerable system improvements and energy efficiency. This resulted in their introduction in the energy, transportation and manufacturing industries in a wide variety of devices and components with considerable technological, economic, environment and social impact: Key Words: Transformative materials and technologies, nano, nanostructured and nanohybrid material systems, energy systems and challenges, environment degradation, sustainability domains and systems..

11:55: [AdvancedMaterialsMonAM02] OS Plenary
STRUCTURE, PROPERTIES AND APPLICATION of MT-YBCO and bulk MgB2-BASED SUPERCONDUCTORS
Tetiana Prikhna¹ ; Michael Eisterer² ; Vladimir Sokolovskiy³ ; Viktor Moshchil⁴ ; Bernd Büchner⁵ ; Xavier Chaud⁶ ; Dmitriy Efremov⁵ ; Dirk Lindackers⁵ ; Fernand Marquis⁷ ; Semyon Ponomarov⁸ ; Vladimir Sverdun⁹ ; ¹V. Bakul Institute NASU, Kiev, Ukraine; ²Institute of Atomic and Subatomic Physics, TU Wien, Vienna, Austria, Vienna, Austria; ³Ben-Gurion University of the Negev, Beer-Sheva, Israel, Beer-Sheva 84105, Israel; ⁴Institute for Superhard Materials, Kiev, Ukraine; ⁵Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden e. V., Dresden, Germany; ⁶Laboratoire National des Champs Magnétiques Intenses (LNCMI/CNRS), Grenoble, France; ⁷San Diego State University, San Diego, United States; ⁸Institute of Semiconductor Physics, Kiev, Ukraine; ⁹Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kiev, Ukraine;
Paper Id: 448 [Abstract]

A comprehensive investigation of the structural, superconducting and mechanical characteristics of MgB2-based bulk materials and melt-textured (MT) -YBCO, prepared under different pressure-temperature-time conditions, establishes correlations responsible for attaining high functional properties of the superconducting materials and fields of their effective application. The analysis of MgB2 and MT-YBCO from the point of view of their application in inductive fault current limiters and electrical machines showed the competientability of both MgB2 and MT-YBCO materials. The advantages and disadvantages of the both materials are discussed. A successful development of hydrogen as an energy carrier involves the transportation of liquid hydrogen over long distances. This would provide a widely available coolant for superconducting materials that operate efficiently at 20 K. Very promissing are MT-YBCO and MgB2-based materials. MT-YBCO can create higher magnetic fields but its preparation takes much longer and is rather complicated and expensive. Microcraking during oxygenation of the Y123 structure may lead to the appearance of hot sports during the operation of electrical devices. Oxygenation under high oxygen pressure and high temperature reduces the process duration and cracking hence leading to an increase of the critical current density and a reduction of the material anysotropy. The mechanical characteristics increase as well. The drawback of MgB2 ceramics can be its high sensitivity toward flux jumps, particularly reducing shield of AC magnetic fields. Manufacturing under high pressure results in dense MgB2 ceramics with a high mechanical perfomance. Both materials are promising for practical applications but futher reseach activity shoud be performed to undestand the mechanisms of their unique properties.

12:20: [AdvancedMaterialsMonAM03] OS Keynote
“Maturolife”, Metallization of Textiles To Make Urban Living Of Older People More Independent and fashionable
Andrew Cobley¹ ; Pascal Négré² ; ¹The Functional Materials Research Group, Coventry University, Coventry, United Kingdom; ²IPM², PARIS (075), France;
Paper Id: 164 [Abstract]

The MATUROLIFE project aims to couple design with advanced material innovation to produce smart furniture, clothing and footwear with assistive functionality. MATUROLIFE products will provide older adults with assistance in their day to day lives to help them remain independent for longer. With an ageing population, there is a need for assistive technology that is acceptable to the user, it should be desirable and discreet. MATUROLIFE aims to achieve this through use of smart textiles. To make textiles smart and enable them to perform an assistive function, they require the integration of electronic components such as sensors. Rather than have such sensors as separate wearable devices, MATUROLIFE aims to integrate them into textiles for application in the design of clothing, footwear and furniture. The project combines expertise from the creative industries and manufacturing with cutting-edge advances in electrochemistry and nanotechnology. Highly innovative, conductive, multifunctional smart textiles will be developed, as well as a collection of assistive products. The collaboration will enable competitive and sustainable development of the partners involved. The project has seen significant advancements in terms of both design and scientific development. The materials team have been considering methods for introducing electronic connectivity to a textile, in particular an additive process to coat the fibers within the textile with a thin layer of copper. There has also been extensive involvement of older adults in the design process through interviews and co-creation workshops in the 9 partner countries. Co-creation activity has involved partners working with older people to develop smart and assistive clothing, footwear and furniture concepts that build on scientific developments whilst being desirable and simple to understand and use. Building on this co-creation approach, the teams are combining their skills and expertise to progress the most promising emerging technologies, and develop prototypes which will be tested and refined in the coming months. The project has already been recently awarded in Boston by the Design Management Institute with a Design Value Award for 2019.

References:
Partridge, Deelen, & Slagboom, 2018,Bloom et al., 2015; Gaßner & Conrad, 2010; Marasinghe, 2016; NSTC, 2019; Pilotto et al., 2018, Fisk, Rogers, Czaja, Charness, & Sharit, 2009; Lee & Coughlin, 2015; Yusif, Soar, & Hafeez-Baig, 2016, Koncar, 2019; Stoppa & Chiolerio, 2014; Tang & Stylios, 2006; Tao, 2001

12:45: [AdvancedMaterialsMonAM04] OS
Structure and mechanical characteristics of high pressure sintered ZrB2, HfB2 and ZrB2- TiB2, ZrB2-SiC composite materials.
Tetiana Prikhna¹ ; Anastasia Lokatkina² ; Viktor Moshchil³ ; Pavlo Barvitskiy³ ; Olexandr Borymskyi⁴ ; Florian Kongoli⁵ ; Fernand Marquis⁶ ; ¹V. Bakul Institute NASU, Kiev, Ukraine; ²Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kyiv, Ukraine; ³Institute for Superhard Materials, Kiev, Ukraine; ⁴V. Bakul Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kyiv, Ukraine; ⁵FLOGEN Technologies, Mont-Royal, Canada; ⁶San Diego State University, San Diego, United States;
Paper Id: 286 [Abstract]

The ZrB₂ and HfB₂ materials are promising for application in hypersonic aerospace, cutting tools, metallurgy, microelectronics and refractory industries. The structure and properties of sintered under high pressure (4GPa) - high temperature (1800 ^oC) or HP-HT conditions ZrB₂, HfB₂, ZrB₂+30%TiB₂ and ZrB₂-20% SiC refractory materials are under consideration. HP-HT sintered HfB₂ (a=0.3141, c=0.3473 nm γ=10.42 g/cm³) demonstrated hardness HV(9.8 N)=21.27±0.84 GPa, HV(49 N)=19.29±1.34 GPa, and HV(98 N)=19.17±0.5 GPa and fracture toughness K1C(9.8 N)=6.47 MN×m0.5. High pressure sintered ZrB₂ (a=0.3167 , c=0.3528 nm, γ=6.1 g/cm³) demonstrated HV(9.8N)= 17.66±0.60 GPa, HV(49 N)= 15.25±1.22 GPa, and HV(98 N)= 15.32±0.36 GPa and K1C(9.8 N)=3.64 MN×m0.5. Addition of 30 wt.% of TiB₂ to ZrB₂ did not allow to increase hardness of the material essentially (HV(9.8 N)=17.75±2.36 GPa, γ=5.29 g/cm³ ). Addition of 20 wt.% of SiC to ZrB₂ and sintering under high pressure allowed essential increase of hardness to HV(9.8 N)=24.18±0.7 GPa, HV(49 N)=16.68±0.5 GPa, and HV(98 N)=17.59±0.4 GPa and fracture toughness (K1C(9.8 N)=6.49 ± 0.25 MN×m^0.5, K1C(49 N)=7.06± 1.55 MN×m^0.5 , K1C(98 N)=6.18± 1.24 MN×m^0.5) of composite ZrB₂- SiC material (γ=5.03 g/cm³).

SESSION: AdvancedMaterialsMonPM1-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Mon. 28 Nov. 2022 / Room: Saitong
Session Chairs: Tetiana Prikhna; Session Monitor: TBA

14:00: [AdvancedMaterialsMonPM105] OS
Aluminum dodecaboride - and boron carbide-based ceramics for extreme environments
Tetiana Prikhna¹ ; Pavlo Barvitskiy² ; Viktor Moshchil² ; Olena Prysiazhna³ ; Myroslav Karpets² ; Semyon Ponomaryov⁴ ; Volodymyr Kushch³ ; Valeriy Muratov⁵ ; Fernard Marquis⁶ ; ¹V. Bakul Institute NASU, Kiev, Ukraine; ²Institute for Superhard Materials, Kiev, Ukraine; ³Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kiev, Ukraine; ⁴Institute of Semiconductor Physics of the National Academy of Sciences of Ukraine (NASU), Kyiv, Ukraine; ⁵(1) Frantsevich Institute for Problems of Materials Science of the National Academy of Sciences of Ukraine, Kyiv, Ukraine; ⁶Naval Postgraduate School, Monterey, United States;
Paper Id: 285 [Abstract]

The developed lightweight dodecaboride - and boron carbide-based ceramic composites hold great potential for a wide range of applications in extreme conditions: personal protection or for armored defense of ground military equipment and vehicles for the manufacture of abrasive nozzles, friction pairs for pumping oil and other aggressive liquids, constructional ceramics for nuclear power plants, etc. The correlations between structures and mechanical characteristics of alpha-AlB¹²-, AlB₁₂C2-, B₄C-based lightweight ceramics and composites synthesized or sintered by hot pressing (at 30 MPa). The effect of C, TiC and SiC additions on the properties of the resultant composites and the particularities of the ceramics destruction under shock loading are discussed. Computer modeling of the influence of construction parameters of ceramic-composite barrier on ballistic steel rod of the B-32 armor-piercing bullet (hardness HRC = 67 and 5,32 g weight of the steel core) into a two-layer ceramic-composite barrier was performed. Ballistic tests performed on 10 mm thick plates fabricated from the developed ceramics showed that the materials could withstand shot using a bullet with initial kinetic energy of 3.7 kJ.

14:25: [AdvancedMaterialsMonPM106] OS Keynote
Mechanical Response of Lightweight Graphene Reinforced Aluminum Foams at High Strain Rates and High Temperature
Sanjeev Khanna¹ ; Akhouri Sinha¹ ; ¹University of Missouri, Columbia, United States;
Paper Id: 366 [Abstract]

Closed-cell aluminum foam is a particular type of lightweight metal that can sustain considerable deformation under approximate constant stress, which is known as plateau stress. Therefore, under quasi-static and dynamic loading, aluminum foams can be used for absorbing energy during loading. In addition, the light weight can potentially reduce the weight of the components and reduce overall energy consumption, such as in automobiles and aircraft. In this investigation, aluminum foams reinforced with graphene of concentration varying between 0.2 – 0.6 wt.% was manufactured using the liquid metallurgy route. The compressive dynamic behavior of Aluminum foam reinforced with graphene platelets has been studied over a range of strain rates between 1000 to 2200 s-1 using the Split Hopkinson Pressure Bar (SHPB) apparatus. The mechanical response has been studied at room temperature and at high temperatures of 473 oK and 623 oK. Amongst the four different graphene concentrations studied, 0.6 wt.% displayed the maximum value of peak stress, plateau stress, and energy absorption. The experimental data obtained in the present studies are validated using a theoretical model. The high strain rate response of the 0.6 wt.% graphene foam at 623 oK is nearly 50% better than the unreinforced foam at room temperature for all strain rates studied.

References:
1. Dannemann, K. A., & Lankford, J. (2000). High strain rate compression of closed-cell
aluminum foams. Materials Science and Engineering A, 293(1), 157–164.
2. Hakamada, M., Nomura, T., Yamada, Y., Chino, Y., Chen, Y., Kusuda, H., & Mabuchi,
M. (2005). Compressive deformation behavior at elevated temperatures in a closed-cell
aluminum foam. Materials Transactions, 46(7), 1677–1680.
3. Cady, C. M., Gray, G. T., Liu, C., Lovato, M. L., & Mukai, T. (2009). Compressive
properties of a closed-cell aluminum foam as a function of strain rate and
temperature. Materials Science and Engineering A, 525(1–2), 1–6.
4. Wang, P., Xu, S., Li, Z., Yang, J., Zheng, H., & Hu, S. (2014). Temperature effects on the
mechanical behavior of aluminum foam under dynamic loading. Materials Science and
Engineering A, 599, 174–179.

14:50: [AdvancedMaterialsMonPM107] OS Keynote
THERMOCHEMICAL CONVERSION OF POLLUTION-CREATING BIOMASS INTO A SORBENT FOR WASTEWATER TREATMENT
Ali Bumajdad¹ ; Khan Mohammad Jakir Hossain¹ ; ¹Kuwait University, Safat, Kuwait;
Paper Id: 372 [Abstract]

Cyperus Papyrus (CP) is abundantly available and fast grown plant in the marshlands of Arabian Gulf region. This valuable source of biomass is unfortunately burnt on field as waste that causes severe toxic haze, plant nutrient decline, global warming, and environment threat. CP has been used in this study to produce a nitrogen rich activated carbon (N-CPAC) for remove of typical toxic heavy metal ions from wastewater. The biomasses were carbonized at 600C and a quaternary ammonium compound was used for N-enrichment. Application of K2CO3 as a pore forming agent during activation process caused wide-ranged porous structure inside the AC which resulted in high specific surface area materials of 822 m2/g. The surface morphology of CP was observed through Scanning Electron Microscopy (SEM), while the presence of functional groups and the percentage of incorporated nitrogen into the AC structure were analyzed through Fourier Transform Infrared (FTIR) spectroscopy and Elementary Analysis (EA), respectively. The nitrogen content in the AC was raised from 0 to 3% after carbonization with ammonium compound. Among other functional groups, the development of graphitic N was confirmed by the FTIR. A practicable modeling approach, through statistical techniques, has been proposed with the purpose of predicting the optimum operating conditions of maximum adsorption of Cr(VI). Significant removal percent (93.5%) of Cr(VI) ions from synthetic wastewater was achieved. This research is closely aligned with the policy number 6 (Clean Water and Sanitation) and 13 (Climate Action), under Sustainable Development Goals (SDG) policy.

15:15: [AdvancedMaterialsMonPM108] OS
MAGNETIC PROPERTIES AND APPLICATIONS OF IRON OXIDES NANOPOWDERS OBTAINED BY THE ELECTRO-EROSION DISPERSION AND SINTERED FROM THEM BULKS AT HIGH-PRESSURE
Tetiana Prikhna¹ ; Mykola Monastyrov² ; Bernd Büchner³ ; Fernand D. S. Marquis⁴ ; Florian Kongoli⁵ ; Sebastian Gaß³ ; Aniruddha Sathyadharma Prasad³ ; Ivan Soldatov³ ; Pavel Potapov³ ; Kai Neufeld³ ; Vitaliy Romaka³ ; Lars Giebeler³ ; Valeriy Shatilo⁶ ; Myroslav Karpets⁷ ; Anja Wolter Giraud³ ; Alexander Borimskiy⁸ ; ¹V. Bakul Institute NASU, Kiev, Ukraine; ²Open International University of Human Development Ukraine, Kiev, Ukraine; ³Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden e. V., Dresden, Germany; ⁴United Nano technologies (UNT) and Integrated Materials Technologies and Systems (IMTS), Rapid City, United States; ⁵FLOGEN Technologies, Mont-Royal, Canada; ⁶D.F. Chebotaryov Institute of Gerontology of the National Academy of Medical Sciences of Ukraine, Kyiv, Ukraine; ⁷Institute for Superhard Materials, Kiev, Ukraine; ⁸V. Bakul Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kyiv, Ukraine;
Paper Id: 394 [Abstract]

Nanodispersed iron oxides obtained by us using the electroerosion dispersion (EED) technology [1, 2] have a wide range of applications. The EED method can be used for recycling of metals chips and granules. The polyvalent nanopowders of iron oxides due to magnetic characteristics, in particular, are successfully used in medicine for blood thinning and as antianemic specimen of prolonged action to saturate the blood with oxygen and maintain saturation at the optimal level for human life; in animal husbandry as feed additives to accelerate the growth of livestock and in increasing the laying capacity of birds. In 2020-2021 the dietary supplement "Lisoferrin" and feed additive "Nano-Fe" were developed and certified in Ukraine, although the mechanism of their action the appertaining processes remain not fully understood. It has been observed that the developed nanopowders of iron oxides also have a positive effect on the treatment of a wide range of other diseases, such as: related to dementia, cognitive disorders, contribute to the reduction of blood sugar levels, accelerate the healing of purulent wounds in varicose veins and the fusion of broken bones, etc. In addition, the developed nanopowders are characterized by a high ability to absorb ultra-high-frequency radiation (higher than the commercial powders of iron oxide ‟Magsilica”, produced in Germany) [1], and are therefore promising for the production of shielding which absorb ultrahigh frequency electromagnetic radiation. The iron oxide nanopowders developed in this research have a high adsorption capacity in relation to heavy metal ions [3] and are promising for water purification and wastewater treatment [3, 4]. From the point of view of magnetic properties, they are close to soft magnetic materials and demonstrate superparamagnetic behavior [1]. The bulk materials consolidated from the Fe-O nano powders under high pressure conditions (using 2 GPa pressure at 1200 and 1300 °C for 0.07 h in contact with hexagonal boron nitride) also exhibited soft magnetic behavior, which makes their use very promising in electrical engineering and in other branches of industrial technology. The structure of sintered materials was investigated by X-ray diffraction with Rietveld refinement and showed that the materials consolidated under 2 GPa at 900 and 1000 °C contained 75–80 wt.% FeO and 25–20 wt.% Fe, and the materials sintered at 1100 ^oC, in parallel with 32 wt. % FeO and 2 wt.% Fe was present contained a significant amount of Fe₃N: 66 wt.%. However, the structure of the same materials consolidated at 1200-1300 °C contained about 100% of the Fe₃N phase. Thus, under conditions of high pressures and temperatures with increasing sintering temperature, reduction of iron oxide was observed, followed by its nitriding with nitrogen released from the boron nitride, which led to improvement of soft magnetic characteristics of sintered materials.

References:
[1] B. Halbedel, T. Prikhna, P. Quiroz, T. Kups, M. Monastyrov, Current Applied Physics, 18(11) (2018) 1410–1414.
[2] M.K. Monastyrov, T.A. Prikhna, A.G. Mamalis, W. Gawalek, P.M. Talanchuk, R.V. Shekera Nanotechnology Perceptions, 4 (2008) 179–187.
[3] M. Monastyrov, T. Prikhna, B. Halbedel, A.G. Mamalis, O. Prysiazhna, Nanotechnology Perceptions. 15(1) (2019) 48–57. N24MO18A
[4] G. Kochetov, T. Prikhna, D. Samchenko, O. Prysiazhna, M. Monastyrov, V. Moshchil, A. Mamalis, Nanotechnology Perceptions, 17(1) (2021) 9–12.

SESSION: AdvancedMaterialsMonPM2-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Mon. 28 Nov. 2022 / Room: Saitong
Session Chairs: Stanislaw Pietrzyk; Session Monitor: TBA

15:55: [AdvancedMaterialsMonPM209] OS Keynote
VISCOSITY of MOLTEN SALTS to CAPTURE CO2
Stanislaw Pietrzyk¹ ; Piotr Palimaka² ; ¹AGH University of Science and Technology, Kraków, Poland; ²AGH University of Science and Technology, Krakow, Poland;
Paper Id: 390 [Abstract]

Carbon capture and storage (CCS) by method Ca-looping is based on carbonation of CaO (CO₂ absorption), and calcination of the formed CaCO₃ (CO₂ desorption) [1]. A great challenge for this method is the decreasing sorbent reactivity after many absorption–desorption cycles [2]. Avoidance of sorbent degradation and reduction of its efficiency is possible thanks to a process known as carbon capture in molten salts (CCMS) [3]. The most promising salt mixture is eutectic CaCl₂-CaF₂[4]. The CaO -CaCl₂-CaF₂ solutions are expected to form a suspension due to supersaturation in CaO. This can lead to an increase in viscosity, which can be a challenge in an enlarged CCMS installations where a possible approach is to transport molten salts between the absorption and desorption chambers [5]. Unfortunately, data on the viscosity of such solutions are lacking. In order to check these possible limitations, an experimental evaluation of the viscosity of the CaCl₂-CaF₂-CaO systems was performed. Viscosity measurements were carried out with a high-temperature rotary rheometer. The results showed that increasing the CaO content and lowering the melt temperature increases the viscosity. Comparing the salt viscosity with the 30% addition of CaO and without its addition, the relative increase in viscosity at the temperatures of 750 and 950 ⁰C was over six and five times more , respectively. The obtained viscosity results in the temperature range of 750-950⁰C and for the additive up to 30 wt.% CaO did not exceed the value of 30 cP, which proves that the cyclic transport of salt between the reactor chambers will not be hindered.

References:
[1] N. MacDowell, N. Florin, A. Buchard, J. Hallett, A. Galindo, G. Jackson, C. S. Adjiman, C. K. Williams, N. Shah, P. l. Fennell, Energy Environ. Sci. 3 (2010) 1645–1669.
[2] J. Blamey, E.J. Anthony, J. Wang, , P.S. Fennell, Prog. Energy Combust. Sci. 36 (2010) 260–279.
[3] V. Tomkute, A. Solheim, E. Olsen, Energy Fuels 27 (2013) 5373–5379.
[4] V. Tomkute , A. Solheim, E. Olsen, Energy Fuels 28 (2014) 5345–5353
[5] E. Olsen, Patent No. US 8,540,954 B2, Sep. 24, (2013).

16:20: [AdvancedMaterialsMonPM210] OS
Oxidation resistance of Ti-Al-C MAX phases-based bulk materials and coatings at high-temperatures
Tetiana Prikhna¹ ; Orest Ostash² ; Alexander Kuprin³ ; Viktoriya Podhurska⁴ ; Thierry Cabioc'h⁵ ; Tetiana Serbenyuk⁶ ; Viktor Moshchil⁷ ; Vladimir Sverdun⁶ ; Myroslav Karpets⁷ ; Semyon Ponomarov⁸ ; Alexandra Starostina⁶ ; Fernand D. S. Marquis⁹ ; Florian Kongoli¹⁰ ; ¹V. Bakul Institute NASU, Kiev, Ukraine; ²Karpenko Physical-Mechanical Institute of the National Academy of Sciences of Ukraine, Lviv, Ukraine; ³National Science Center Kharkov Institute of Physics and Technology, Kharkov, Ukraine; ⁴Physico-Mechanical Institute of the National Academy of Sciences of Ukraine, Lviv, Ukraine; ⁵Universite de Poitiers, CNRS/Laboratoire PHYMAT, Chasseneuil Futuroscope Cedex, France; ⁶Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kiev, Ukraine; ⁷Institute for Superhard Materials, Kiev, Ukraine; ⁸Institute of Semiconductor Physics, Kiev, Ukraine; ⁹United Nano technologies (UNT) and Integrated Materials Technologies and Systems (IMTS), Rapid City, United States; ¹⁰FLOGEN Technologies, Mont-Royal, Canada;
Paper Id: 284 [Abstract]

The, results of variations of structure in oxidizing atmosphere at high temperatures (after heating and thermocycling up to 600 – 1400 ^oC), and electrical conductivity (after long time heating at 600 ^oC) of MAX Ti₂AlC-, Ti₃AlC₂- and (Ti,Nb)₃AlC₂-based bulk materials with different porosity (prepared by synthesis in vacuum and/or by hot pressing) and coatings (vacuum-arc deposited) are presented. The characteristics of highly dense Ti-Al-C composite bulks and vacuum-arc deposited 6 m thick coatings before and after heating at 600 ^°C in air for 1000 h were compared. High electrical conductivity ((The, results of variations of structure in oxidizing atmosphere at high temperatures (after heating and thermocycling up to 600 – 1400 ^oC), and electrical conductivity (after long time heating at 600 ^oC) of MAX Ti₂AlC-, Ti₃AlC₂- and (Ti,Nb)₃AlC₂-based bulk materials with different porosity (prepared by synthesis in vacuum and/or by hot pressing) and coatings (vacuum-arc deposited) are presented. The characteristics of highly dense Ti-Al-C composite bulks and vacuum-arc deposited 6 &#181;m thick coatings before and after heating at 600 °C in air for 1000 h were compared. High electrical conductivity (<i>delta</i> m/S =1.3•10⁶ S/m) of the highly resistant toward oxidation (<i>delta</i> m/S=0.07 mg/cm²) Ti-Al-C coating was preserved after long-term heating in air. It was found that the specimen surface layers of MAX-phases Ti₃AlC₂ and Ti₂AlC based bulks and chromium-containing Crofer 22APU steel became semiconductors because of high-temperature long-term oxidation (at 600 ^°C). The vacuum-arc deposited Ti-Al-C coating revealed high oxidation resistance and electrical conductivity along with good mechanical characteristics, namely nanohardness H (10 mN)= 9.5±1.5 GPa, and Young’s modulus E=190±10 GPa, which make it very promising for interconnects of solid oxide fuel cells (SOFCs). Acknowledgements The investigations were performed in the frames of the project NATO SPS G5773 “Advanced Material Engineering to Address Emerging Security Challenges” for 2020-2023, the project 03-03-20 of Ukrainian-Belorussian cooperation for 2020-2021, and the projects III-3-20 (0779), III-5-19 (0778), and II-5-19 (ІНМ-29/20) supported by the National Academy of Sciences of Ukraine.

16:45: [AdvancedMaterialsMonPM211] OS Keynote
Enhanced conductivity and sensitivity of ceria based thin film for room temperature humidity sensing
Arijeta Bafti¹ ; Luka Pavić² ; Ivana Panžić¹ ; Vilko Mandić³ ; Stanislav Kurajica¹ ; Ivana Katarina Munda¹ ; Katarina Mužina¹ ; ¹Faculty of Chemical Engineering and Technology, Zagreb, Croatia; ²Ruđer Bošković Institute, Zagreb, Croatia; ³Faculty of Chemical Engineering and Technology, Department of Inorganic Chemical Technology and Non-metals, Zagreb, Croatia;
Paper Id: 288 [Abstract]

Air conditioning, chemical processing, food storage, etc. bring up the need for humidity sensing in various aspects of everyday life [1]. Semiconducting oxides are well known in the area of sensing materials, while recently lowering their constituting domains in the nano-range opened up possibility for added benefit of behalf of greater specific surface area and pore volume. Among semiconducting oxides nanomaterials, ceria has attracted much attention in recent years. Ceria in various thin-film configurations is often prepared by methods such as pulsed laser deposition, spray pyrolysis, magnetron sputtering, chemical vapour deposition etc. [2]. All of these require specific reaction conditions (atmosphere, temperature, etc.) all of which can be avoided by the use of a simple but efficient tape casting method [3]. In this work we chemically derived ceria nanoparticles with solution homogeneity, prepared slurries thereof and tape casted them on conducting glass substrates. We varied thin-film thicknesses to obtain a mechanically and electrically optimized samples which were characterised in detail by XRD, UV-VIS DRS, GIXRD, SEM and AFM. Ceria samples in the form of pellets and thin-films were studied by impedance spectroscopy (IS), under controlled relative humidity (RH) from 30 % up to 85 %, and in a wide temperature and frequency range. Moreover, for thin-film setup, measurements were performed in surface-mode and cross-section-mode. In addition to compositional influence on relative humidity, the role of the configuration and film thickness on electrical properties and derivative humidity-sensing performance was studied in detail. Structural analysis points to single phase crystalline ceria. Microstructure reveals slightly agglomerated spherical particles. Thin-films exhibit low surface roughness. Under controlled humidity, with an increase in RH, the shape of the conductivity spectrum stays the same; however, a shift to higher conductivity values is present. Relaxation is slow and conductivity values need a long time to return to starting values suggesting thickness of the pellet plays a crucial role in the relaxation process. One can see how the increase in humidity has a positive effect on the total DC conductivity, similarly to the temperature effect with semiconducting behaviour. For surface measurement setup the film thickness has an impact on the shape of spectra and number of observed processes. We can conclude that surface measurement turns out to be more sensitive to relative humidity changes, emphasized for higher RH, along with an increase in thin-film thickness. We showed that moisture directly affects conductivity spectra in the dispersion part, i.e. on the localised short-range charge carriers. It can be concluded the moisture sensitivity is a reversible process for thin-film samples, in contrast to pellet form samples.

References:
[1] P. Kronenberg, P.K. Rastogi, P. Giaccari, H.G. Limberger, Optics letters 27 (2002) 1385-1387.
[2] Y.J. Acosta-Silva, M. Toledano-Ayala, G. Torres-Delgado, I. Torres-Pacheco, A. Méndez-López, R. Castanedo-Pérez, O. Zelaya-Ángel, Journal of Nanomaterials (2019) 5413134.
[3] R.K. Nishihora, P. L. Rachadel, M.G. Novy Quadri, D. Hotza, Journal of the European Ceramic Society 38 (2<span class="fon_main_wrapper"><span phone-source="018) 988-1001" class="fon-phone-wrap fon-hightlighted active-call" id="fon-phone-JA2HKYNMb4">018) 988-1001</span><a phone-source="018) 988-1001" href="#" class="fonCallLinkButton active-call"><img src="data:image/png;base64,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" alt="F"/></a></span>.

17:10: [AdvancedMaterialsMonPM212] OS
Development of Functional Materials for Energy Conversion Applications
Ahsan Ul Haq Qurashi¹ ; ¹Khalifa University, Abu Dhabi, United Arab Emirates;
Paper Id: 432 [Abstract]

Water splitting is considered as one of the practical alternative approach for impelling the conversion of clean, plentiful energy sources such as solar energy and water to clean hydrogen fuel. In order to realize large-scale hydrogen generation, it is crucial to develop earth abundant, cost effective, high performance and stable materials.1-3 In this talk, current efforts for synthesis strategies, performance of different materials will be deliberated for solar water splitting applications. Likewise, recent work on formation of Cobalt/Iron oxyhydroxide for electrochemical water splitting will be presented. Finally, an overview of challenges, frontiers and opportunities of materials for water splitting and energy conversion systems will be discussed. Other examples of Energy Conversions applications will be considered.

References:
[1]. Ibrahim Khan, Ahsanulhaq Q., ACS Sustainable Chem. Eng. 6, (2018) 12641–12649
[2]. Ibrahim K., Ahsanulhaq Q., Golibjon B., Naseer I., Katsushi F., Zain H. Y., Nano Energy 44 (2018), 23-33.
[3]. Ahsanulhaq Qurashi, Zhongai Zhang, M. Asif and Toshinari Yamazaki, International Journal of Hydrogen Energy 40 (2015), 15801-15805.

SESSION: AdvancedMaterialsMonPM3-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Mon. 28 Nov. 2022 / Room: Saitong
Session Chairs: Vilko Mandić; Session Monitor: TBA

17:50: [AdvancedMaterialsMonPM313] OS Keynote
Novel Approaches to Overcoming the Trade-Off Between Hardness and Toughness of Hard Materials
Igor Konyashin¹ ; ¹Element Six GmbH, Burghaun, Germany;
Paper Id: 10 [Abstract]

The discovery of WC-Co metal-ceramic composites, cemented carbides, was one of the most important technological revolutions of the last century [1, 2]. Such functional hard materials possess a unique combination of strength and fracture toughness on the one hand, and hardness and wear-resistance on the other hand as a result of combining a hard ceramic phase, tungsten carbide, with a ductile and tough cobalt binder [3]. Nevertheless, presently, for many applications there is a need for hard materials with a significantly improved combination of hardness, toughness and wear-resistance. However, traditional wisdom indicates that hardness and wear-resistance are contradictory and incompatible material properties when compared to toughness, so that in conventional hard materials an increase of hardness and wear-resistance can be achieved only at the expense of fracture toughness [3, 4]. A number of new approaches to the fabrication of novel hard materials with improved combinations of hardness, fracture toughness and wear-resistance were elaborated and implemented in industry. One of these approaches is based on creating functionally graded WC-Co materials, known as ‘Gradient Carbides’, with a tailored gradient of Co contents from a near-surface layer towards a core region. The novel hard materials comprise a hard surface layer containing much WC phase and a tough core containing lots of Co, which results in an exceptionally high combination of hardness and fracture toughness of the surface layer. The second approach ensuring the hardness/toughness/wear-resistance trade-off to be overcome is based on employing nanotechnology. A range of novel hard materials with nano/micro hierarchical structure were developed and are presently widely employed in the mining and construction industry. An unusual combination of the ultra-coarse-grain microstructure structured on the µm-level and the binder phase structured on the nm-level provides an extraordinarily high combination of both transverse rupture strength/fracture toughness and hardness/wear-resistance. The third approach comprises the development and implementation of nanostructured cemented carbides also known as ‘near-nano carbides’ with a WC mean grain size of about 150 nm. These hard materials are characterized by a significantly improved combination of hardness, wear-resistance and fracture toughness, which ensures their dramatically prolonged lifetime in different applications.

References:
REFERENCES:
[1] H. M. Ortner, P. Ettmayer, H. Kolaska. Int. J. Refractory Met. Hard Mater., 44 (2014) 148–159.
[2] H. Kolaska. Powder Met. Int., 24/5 (1992) 311-314.
[3[ I.Konyashin. Comprehensive Hard Materials, Elsevier Science and Technology, Editor-in-Chief V.Sarin, 2014, 425-251.
[4] B.Roebuck B., M.G.Gee, R.Morrell. Proc. 15th Int. Plansee Sem., 2001, vol.4, 2001, Kneringer G, Rödhammer P, Wildner H (Eds.).: Plansee Group Reutte, Austria, pp.245-266.

18:15: [AdvancedMaterialsMonPM314] OS
Sorption properties of healthy vegetable snacks preserved by freeze-drying
Agnieszka Ciurzyńska¹ ; Monika Janowicz² ; ¹Warsaw University of Life Sciences - SGGW, Warsaw, Poland; ²Warsaw University of Life Sciences, Warsaw, Poland;
Paper Id: 114 [Abstract]

A gel-based cellular structure should be characterized by appropriate physical and sorption properties according to its intended use [1]. Both the method of preparation and storage of ingredients, semi-finished and finished products are of great importance in shaping the quality and health safety of prepared meals. It is during storage that a number of processes, e.g. microbiological, biological, chemical, biochemical or physical, occur that cause qualitative changes in them. Researchers were investigating the effect of drying methods and conditions, different equipment solutions and the storage conditions on the quality of final product [2, 3]. The aim of this work was to investigate physical properties of three-layer freeze-dried vegetable snacks in the form of bar stored in different relative humidity conditions. Bars were obtained based on waste unused during proper production of frozen vegetables. Presented research are the stage of the project BIOSTRATEG 3/343817/17/NCBR/2018 “Development of healthy food production technologies taking into consideration nutritious food waste management and carbon footprint calculation methodology”. Sodium alginate, and a mixture of xanthan gum and locust bean gum were used for the formulation of vegetable gels with cauliflower, broccoli, carrot, potato, green and yellow bean, corn, chives, pepper, dill. Vegetable gels were frozen (–40 °C/2) and freeze-dried (30 °C/63 Pa/72 h). The physical properties of freeze–dried bars included determination of: sorption isotherms, water activity, porosity and shrinkage. The studies showed that the type of hydrocolloids and vegetables influence the sorption properties of freeze-dried vegetable snacks based on frozen vegetables not used during the proper production of frozen foods. Samples obtained on the base on xanthan gum and locust bean gum mixture were characterized by lower sorption properties than bars obtained with the sodium alginate, especially when water activity in desiccators were above 0,529). Also, vegetable types influence the sorption properties of freeze-dried gels stored in different relative humidity conditions. Such storage conditions (water activity in desiccator 0-093) changed structure which influenced the shrinkage and porosity of freeze-dried vegetable bars after storage during 5 months.

References:
1. Galus, S., Turska, A., & Lenart, A. (2012). Sorption and wetting properties of pectin edible films. Czech Journal of Food Science, 30(5), 446-455.
2. Ruiz, N.A.Q.; Demarchi, S.M.; Massolo, J.F.; Rodoni, L.M.; Giner, S.A. Evaluation of quality during storage of apple leather. LWT Food Sci. Technol. 2012, 47, 485–492. [CrossRef]
3. Raab, C.; Oehler, N. Making Dried Fruit Leather Fact Sheet; Oregon State University Extension Service: Corvallis, OR, USA, 1999; Volume 232, pp. 1–4.

SESSION: AdvancedMaterialsTueAM-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Tue. 29 Nov. 2022 / Room: Saitong
Session Chairs: Paulo Assis; Session Monitor: TBA

11:30: [AdvancedMaterialsTueAM01] OS
Antifouling activity of natural seaweed products of the Brazilian coast. A review.
Camila Freitas De Araújo¹ ; Adriano Batista² ; Bernardo Da Gama³ ; Jorge Murta⁴ ; Paulo Assis⁵ ; ¹Federal University of Ouro Preto - UFOP/REDEMAT, Ouro Preto, Brazil; ²IFMG, Ouro Preto, Brazil; ³UFF, Niterói, Brazil; ⁴Federal University of Ouro Preto, Ouro Preto, Brazil; ⁵University of Ouro Preto / REDEMAT, Ouro Preto, Brazil;
Paper Id: 143 [Abstract]

The golden mussel (Limnoperna fortunei) is a species of bivalve mollusc introduced in Brazil via ballast water in the 1990s. Given the biological and ecological characteristics of the species, as well as the favorable environment in the country for its proliferation, the golden mussel has become an exotic invasive species that has caused several problems in the aquatic environment because of its ability to form colonies in structures. The species adheres on the surfaces by protein filaments, causing serious environmental, social and economic damages, provoking structural and functional alterations in the ecosystems and damages to the human activities.<br />The challenge presented consists of biological fouling combat through treating underwater surfaces with freshwater natural products, in particular those from red algae. Fouling control tends to arouse the interest of shipbuilders, marine vessel operators, fish farming in tanks and hydroelectric power plants. In Brazil, the chemical treatment against the incrustation of the golden mussel, for example, made only in three hydroelectric power plants in Minas Gerais, has annual cost of R$ 1,494,000.00 [1].<br />With the worldwide ban of TBT-based antifouling paints since 2008, alternative, environmentally safe treatments gain more appeal, considering the risk associated with the alternative products currently in use. Natural marine products have since been recognized as a promising alternative for the replacement of commercially used antifouling until the moment [2].<br />A selection of natural seaweed products with antifouling activity may provide effective results with little or no environmental impact compared to currently used products [3], while contributing to the understanding of ecological functions and mechanisms of metabolic production secondary. At least 18 different regulatory biocides are currently being used as an alternative to tributyltin free antifouling paints, but these also pose some threat to the aquatic environment. In fact, even biocide-free antifouling paints are toxic to marine organisms over a broad spectrum [4]. For this reason there is still an urgent demand for new low-impact anti-fouling products.<br />This article aims to disseminate this broad line of research and consolidate information about the potential of marine organisms as producers of secondary metabolites (natural products) with antifouling activity, in the light of scientific production.<br />Key words: Golden Mussel; red algae; anti-fouling products; secondary metabolites; tributyltin.

References:
REFERENCES:\n[1] CEMIG. Companhia Energética de Minas Gerais. O mexilhão Dourado, uma ameaça às águas e hidrelétricas brasileiras. Ed. CEMIG, Belo Horizonte, p. 24, 2014.\n[2] Bhadury, P.& Wright, P.C. (2004). Exploitation of marine algae: biogenic compounds for potential antifouling applications. Planta, v. 219, p. 561–578.\n[3] DA GAMA, B. A. P. et al. The Effects of Seaweed Secondary Metabolites on Biofouling. Biofouling, v. 18, n. 1, p. 13-20, 2002.\n[4] Löschau, M.&Krätke, R. (2005). Efficacy and toxicity of self-polishing biocide-free antifouling paints. Environmental Pollution, v. 138, p. 260–267.

11:55: [AdvancedMaterialsTueAM02] OS
Strategic Design of Advanced Bioinspired and Biomimetic Membranes Conjugated with Graphene Oxide for Selective Ion Rejection
Sanju Gupta¹ ; ¹UCF, Bowling Green, United States;
Paper Id: 178 [Abstract]

Affiliation: Department of Physics, University of Central Florida, Orlando, FL 32816 Keywords: Graphene Oxide, Biomimetic, nanopores, water purification Recent advances in synthetic membranes allow their use in fields as diverse as food and agriculture, industrial water treatment, potable water production and biotechnology. Among the newly developed technologies, nanofiltration for liquids and more particularly for desalination of seawater or saline aquifers is the most recent one. However, current solid-state membranes are limited, which calls for the development of novel formulations for new membranes offering both high permeability (ion and water flux) and ion differentiation (selectivity) that are usually considered antagonist features. We report on the strategic development of hybrid nanoporous membranes made of a solid-state track-etched polymeric thin film and graphene oxide as supports in which biological ion channel such as Gramicidin A, alpha-hemolysin and ion selective binding peptide motifs are confined, respectively. These bioinspired and biomimetic solid-state membranes are attracting widespread attention since they offer several advantages including mechanical robustness, scalable, controlled pore dimension and shape, modifiable surfaces for desired function and energy-efficiency, for water sustainability. The permeability and selective ion transport will be evaluated via ion diffusion kinetics, UV-Vis absorption spectroscopy and nanofiltration while gaining insights into the role of key performance parameters including track-etch pore size, surface chemistry, and ion binding through nanochannels for water purification. The proposed activity positively impacts the environment by integrating ecofriendly materials design, development and deployment.

12:20: [AdvancedMaterialsTueAM03] OS
Theoretical insights into structure, electronic and mechanical properties of RuBx (x=1,2,3)
Ang-yang Yu¹ ; ¹Heilongjiang Vocational College of Biology Science and Technology, Heilongjiang, China;
Paper Id: 331 [Abstract]

The structural, electronic and mechanical properties of RuB_x(x=1,2,3) are investigated by performing first principles calculations using density functional theory (DFT). The calculated lattice constants agree well with the available results. The chemical bonding is interpreted by calculating the electron localization function (ELF). The covalent Ru-B bond and B-B bond become stronger with the increase of boron’s concentrations, which can help improve the hardness of RuB_x system. Moreover, RuB has the highest bulk modulus, which means more prominent volume-compression resistance. RuB₂ has a certain elastic anisotropy and RuB₃ has the best toughness.

12:45: [AdvancedMaterialsTueAM04] OS Invited
Superalloys and Thermal Barrier Coatings for Aeroengine Applications
Ali Dad Chandio¹ ; ¹NED University of Engineering and Technology, Karachi, Pakistan, Karachi, Pakistan;
Paper Id: 230 [Abstract]

Nickel based single crystal superalloys have been widely used for blades and vanes of the aeroengine hardware [1, 2, 3]. The main goal of these alloys is to provide high temperature strength owing to its γ-Ni/γ’-Ni3Al structure under aggressive working environment [1, 2, 3]. However, alloying elements used do not provide desired oxidation resistance to the components [1]. In order to provide optimum oxidation resistance and improve engine working efficiency, a system of the coating is applied which is commonly known as thermal barrier coating (TBC) system [1, 2, 3]. In general, TBC system comprises of two layers i.e. ceramic topcoat (TC) and an underlying metallic layer as a bond coat (BC). However, there is one additional layer between BC and TC grown either during service or manufacturing is known as thermally grown oxide (TGO) i.e., Al2O3. One of the crucial parts of the TBC system is the nickel aluminides (βNiAl) layer that is used as BC material [4, 5]. Most often, such a layer governs the TC life in the absence of foreign object damage [2]. For example, various modes of the failures are reported in literature such rumpling, stress and interdiffusion [1,2,5]. In this work, bond coat and associated trends are highlighted in the light of experimental observations.

References:
[1] Reed RC, The superalloys: Fundamentals and Applications, , . 2006: Cambridge University Press.
[2] Clarke, D., and Levi CG. , Material design for the next generation thermal barrier coatings. Annual Review of Materials Research, 2003. 33(1): p. 383-417.
[3] Tong, L., Y. Dengzun, and Z. Chungen, Low-temperature Formation of Aluminide Coatings on Ni-base Superalloys by Pack Cementation Process. Chinese Journal of Aeronautics, 2010. 23(3): p. 381-385.
[4] Liu, C., et al. (2020). "The al-enriched γ’-Ni3Al-base bond coat for thermal barrier coating applications." 108523.
[5] Mehboob, G., et al. (2020). "A review on failure mechanism of thermal barrier coatings and strategies to extend their lifetime." 46(7): 8497-8521.

SESSION: AdvancedMaterialsTuePM1-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Tue. 29 Nov. 2022 / Room: Saitong
Session Chairs: Igor Konyashin; Session Monitor: TBA

14:00: [AdvancedMaterialsTuePM105] OS
Effects of Size and Morphology of Antimony Working as Anodes for Na-ion Batteries
Justyna Płotek¹ ; Andrzej Kulka² ; Janina Molenda³ ; ¹AGH University of Science and Technology, Kraków, Poland; ²AGH University of Science and Technology, Cracow, Poland; ³AGH University of Science and Technology, Kraków, Kraków, Poland;
Paper Id: 198 [Abstract]

The energy storage systems market was dominated by Li-ion batteries (LIBs) almost as soon as they were commercialized in 1991. Demand for this technology is forecasted to grow further, especially with the growing use of renewable energy sources, which need reliable, high efficiency and high capacity energy storage system [1]. However, limited lithium abundance in the earth’s crust intensifies the search for an alternative technology. Na-ion batteries is a proposed solution, because of similar to the LIBs operation mechanism and abundance of sodium on earth. Nevertheless, the lack of appropriate anode materials is one of the major hindrances in the development of that technology. The most common anode material for Li-ion batteries – graphite, intercalate Na⁺ ions only in a limited range. Researchers' attention is drawn to elements from the 14 and 15 groups of the periodic table, working in Na-ions via alloying materials. Among them, antimony stands out because of its high electrical conductivity (2,56·10⁶ S m^-1) and also the high theoretical capacity of 660 mAh g^-1 [2]. However, the volume change related to alloying/dealloying process is approximate 293% which causes severe microstructure degradation and as a result impeded reaction kinetics and poor cycling stability [3]. The prospective strategy to overcome obstacles is synthesizing the nano-sized Sb. The aim is to elucidate the relationship between physicochemical properties, size, and morphology of Sb-particles. The work presents a comparison of structural and electrochemical properties of nano-sized antimony synthesized via hydrothermal reaction [4] and bulk micrometric Sb. The X-ray diffraction and scanning electron microscopy were conducted to specify the structural properties of materials. The electrochemical properties of the materials were verified by means of the standard charge/discharge cycles, rate capability tests, XRD in situ measurements, CV voltammetry, and electrochemical impedance spectroscopy. The voltage profiles confirm that during the alloying the Na₃Sb phase was formatted. The nanosized materials decreased stress-strain and as a result, improved cycle stability of cells.

References:
[1] J. Y. Hwang, S. T. Myung, and Y. K. Sun, Chem. Soc. Rev., 46 (2017) 3529–3614.
[2] H. Tan, D. Chen, X. Rui, and Y. Yu, Adv. Funct. Mater., 29 (2019) 1808745.
[3] T. Ramireddy, N. Sharma, T. Xing, Y. Chen, J. Leforestier, and A. M. Glushenkov, ACS Appl. Mater. Interfaces, 8 (2016) 30152–30164.
[4] R. Li et al., Nanoscale Res. Lett., 11 (2016) 486.

14:25: [AdvancedMaterialsTuePM106] OS
Ion Transport and Interfaces at the Nanoscale in Solid Electrolytes for Solid-State Batteries
James Dawson¹ ; ¹Newcastle University, NEWCASTLE UPON TYNE, United Kingdom;
Paper Id: 253 [Abstract]

The quest for improved energy storage to counter our dependence on fossil fuels and for the electrification of transport and large-scale storage is one of the greatest scientific challenges of the 21st century. This quest has strongly evolved into priority areas in global research strategies. Countries are investing heavily in renewable energy technologies with the aim of achieving net-zero emissions by 2050. To achieve this ambitious target, transformative advances in the understanding, design and development of materials are critical. Interfaces and ion transport are central to the performance of energy materials and devices, particularly batteries. The materials that support practical ion conduction in batteries exhibit stunning heterogeneity and complicated ion diffusion mechanisms and interfacial processes, which determine their functionality, performance and longevity. Transforming our comprehension of interfaces and ion transport in energy materials will therefore directly contribute to combatting the global energy crisis, as well as delivering key fundamental research advances in materials science, chemistry, physics and engineering. In this presentation, the recent advances made by my research group in the atomistic simulation of ion transport and interfaces at the nanoscale in solid electrolytes for solid-state batteries will be disseminated. The solid-state battery represents a prime example of a next-generation battery technology with the potential to revolutionise energy storage. Nevertheless, the solid-state battery maybe the battery technology of the 2030s but it remains the research challenge of the 2020s and faces several fundamental challenges that must be overcome for its true commercialisation.

14:50: [AdvancedMaterialsTuePM107] OS
Zero ''dead-weight'' composite cathode application in all-solid-state Li-metal batteries with industrial relevant areal capacities
Qi Xu¹ ; Shicheng Yu² ; Anna Windmüller³ ; Hermann Tempel³ ; Shibabrata Basak³ ; Hans Kungl³ ; Rüdiger-a. Eichel³ ; ¹Research Center Juelich, Jülich, Germany; ²Research center Jülich, Jülich, Germany; ³Research center Jülich, Juelich, Germany;
Paper Id: 367 [Abstract]

In the composite cathode of all-solid-state Li-metal batteries (ASSBs), the high interfacial resistance and unstable interphase between the cathode active material (CAM) and solid-state electrolyte (SSE) are two of the main reasons for the low energy density in current ASSBs [1] . Matching the physical/(electro)chemical properties of the CAM and SSE is vital to obtaining a stable interface/interphase in the composite cathode [2]. Li_1.3Al_0.3Ti_1.7(PO₄)₃ (LATP) is a promising candidate as a Li⁺ conductive component in all-phosphate-based composite cathode produced by a co-firing method due to its good thermal chemical stability against phosphate-based CAMs [3]. Herein, with the effort to optimize the synthesizing and sintering process of LATP, highly-conductive LATP is obtained at a low sintering temperature [4]. Consequently, the phosphate-based CAM/LATP interface in composite cathode is stabilized, which significantly improves the energy density of ASSBs. Specifically, a high-density, fully phosphate-based composite cathode is prepared by co-firing LiFePO₄ (LFP) and (LATP). In this way, an ion-conductive and redox-active Li_3-xFe2-x-yTi_xAl_y(PO₄)₃ (LFTAP) interphase is formed at the interface between LFP and LATP after heating, which not only improves the adhesion of materials but also provides additional capacity. The structure of the fabricated composite cathode is studied in detail. The electrochemical performance and the influence of the electrochemically active LFTAP interphase and LATP solid-electrolyte of the corresponding ASSBs composed of the co-fired LFP/LATP composite cathodes are investigated.

References:
[1] C. Yu, S. Ganapathy, E. R. H. V. Eck, H. Wang, S. Basak, Z. Li, M. Wagemaker, Nat. Commun. 2017, 8, 1086.
[2] S. Yu, A. Mertens, H. Tempel, R. Schierholz, H. Kungl, R. A. Eichel, ACS Appl. Mater. Interfaces 2018, 10, 22264.
[3] M. Gellert, E. Dashjav, D. Grüner, Q. Ma, F. Tietz, Ionics (Kiel). 2018, 24, 1001.
[4] Q. Xu, C. L. Tsai, D. Song, S. Basak, H. Kungl, H. Tempel, F. Hausen, S. Yu, R. A. Eichel, J. Power Sources 2021, 492, 229631.

15:15: [AdvancedMaterialsTuePM108] OS Keynote
Redox Control of Nanoswitch and Nanomachinery
Michael Schmittel¹ ; ¹Universität Siegen, Siegen, Germany;
Paper Id: 11 [Abstract]

While large-size switching processes triggered by light are abundant in the chemical literature, such processes ignited by redox activation are rather scarce, in particular concerning the recent developments of molecular machines. Very recently, though, various advancements in the field of molecular machines have been reported by Stoddart, Nobel laureate of chemistry 2016 [1]. Here we will report about the bright prospects of redox-triggered self-sorting [2] that has been exploited in our group for nanomechanical switching, toggling ON/OFF catalysis, cargo transport and molecular communication. From a design point of view, the switching requires highly dynamic self-sorting protocols involving often 6-12 distinct components and a rich tool box of orthogonal binding motifs. Due to the fact that one-electron oxidation/reduction is orthogonal to many chemical trigger events, we have amply utilized redox activation within molecular networks and elaborated on the arena of molecular cybernetics. The high-speed network [3] of two communicating switches can be set up to bind (catalysis OFF) and release a catalyst (catalysis ON) via redox inputs and translocation of copper(I) ions as a second messenger. In the ON state, the released catalyst promotes an organocatalytic reaction. Both the field of switchable catalysis and the present work represent distinct advancements on the road to fully regulated, networked catalytic machinery [4].

References:
[1] Y. Wang, M. Frasconi, J.F. Stoddart, ACS Cent. Sci. 3 (2017) 927–935.
[2] M. Schmittel, S. Saha, Adv. Inorg. Chem. 71 (2018) 135–176.
[3] S. Gaikwad, S. Pramanik, S. De, M. Schmittel, Dalton Trans. 47 (2018) 1786–1790.
[4] a) I. Paul, N. Mittal, S. De, M. Bolte, M. Schmittel, J. Am. Chem. Soc. 141 (2019) 5139–5143. b) N. Mittal, S. Pramanik, I. Paul, S. De, M. Schmittel, J. Am. Chem. Soc. 139 (2017) 4270–4273.

SESSION: AdvancedMaterialsTuePM2-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Tue. 29 Nov. 2022 / Room: Saitong
Session Chairs: Inmaculada Ortiz; Session Monitor: TBA

15:55: [AdvancedMaterialsTuePM209] OS
Ruddlesden-Popper-type Nd2-xNi0.75Cu0.2M0.05O4±δ (x = 0 and 0.1; M = Ga, Sc and In) layered oxides as candidate materials for MIEC-type ceramic membranes
Konrad Swierczek¹ ; Anna Niemczyk¹ ; Anna Olszewska¹ ; Zijia Zhang² ; Hailei Zhao² ; Kacper Cichy³ ; ¹AGH University of Science and Technology, Faculty of Energy and Fuels, Krakow, Poland; ²University of Science and Technology Beijing, School of Materials Science and Engineering, Beijing, China; ³AGH University of Science and Technology, Krakow, Poland;
Paper Id: 138 [Abstract]

Ceramic membranes, due to their high permeability, ability to work in the aggressive environment, including high temperature and high pressure, chemical and mechanical stability seem to be promising substitution compared to the commonly used polymeric membranes. Despite their higher investment cost, in relation to the organic membranes, ceramic gas separators are more economically favourable in long term perspective (slower degradation) [1,2] Similarly to Solid Oxide Fuel Cells (SOFCs) and Solid Oxide Electrolyzer Cells (SOECs), membrane technologies are considered as one of the basic solution in so-called Grand Energy Transmission [3-5]. Ruddlesden-Popper-type (RP) oxides usually possess mixed ionic-electronic conductivity, which is a crucial requirement for the effectively-working ceramic membranes. Ionic transport in the considered group of materials might be realized by the vacancy mechanism (in the perovskite-type layer) or by rather unusual interstitial mechanism employing interstitial oxygen. In this work RP Nd_2-xNi_0.75Cu_0.2M_0.05O_4±δ (x = 0 and 0.1; M = Ga, Sc and In) oxides were obtained by a sol-gel route and characterized concerning phase composition and crystal structure. Among the materials, Nd_2-xNi_0.75Cu_0.2Ga_0.05O_4±δ (x = 0; 0.1) were selected, with systematic characterization of the crystal structure at high temperatures, oxygen content, as well as transport properties measured. It is shown that the Nd-site deficiency causes decrease of the oxygen content, which at high temperatures leads to a change of the dominant type of defects from the oxygen interstitials to the vacancies. Importantly, both examined Ga-containing materials exhibit full chemical stability in CO₂ atmosphere, which makes them good candidates for air separation technology. Ceramic membranes manufactured using Nd₂Ni_0.75Cu_0.2Ga_0.05O_4±δ and Nd_1.9Ni_0.75Cu_0.2Ga_0.05O_4±δ fine powders allowed to obtain very high oxygen fluxes equal to 0.69 mL cm^-2 min^-1 and 0.78 mL cm^-2 min^-1 at ca. 880 °C, respectively for 0.9 mm thick pellets. Moreover, it is shown for Nd₂Ni_0.75Cu_0.2Ga_0.05O_4±δ-based pellet that infiltration of the grains with the higher order RP oxide (e.g. La₄Ni₃O₁₀) combined with reduced thickness of the membrane allows to maximize oxygen flux values, with one of the highest reported oxygen fluxes measured for CO₂-stable RP-based ceramic membrane, i.e. 0.94 mL cm^-2 min^-1 at ca. 880 °C for 0.6 mm thick dense membrane.

References:
[1] J. Garcia-Fayos, J. M. Serra, M. W. J. Luiten-Olieman and W. A. Meulenberg, Gas separation ceramic membranes. Advanced Ceramics for Energy Conversion and Storage, Elsevier 2020
[2] H. A. Meinema, R. W. J. Dirrix, H. W. Brinkman, R. A. Terpstra, J. Jekerle and P. H. Kösters, InterCeram Int. Ceram. Rev., 2005, 54, 86-91
[3] A. Fargere, B. Kolodziejczyk, J. Carton, L. Lapeña Martinez, A. Pica Téllez, C. Karaca, Y. Chae and L. Fuselli, Hydrogen an enabler of the Grand Transition, 2018
[4] I. Staffell, D. Scamman, A. Velazquez Abad, P. Balcombe, P. E. Dodds, P. Ekins, N. Shah and K. R. Ward, Energy Environ. Sci., 2019, 12, 463-491
[5] M. Gotz, J. Lefebvre, F. Mors, A. McDaniem Koch, S. Bajohr, R. Reimert and T. Kolb, Renewable Energy, 2016, 85, 1371-1390

16:20: [AdvancedMaterialsTuePM210] OS
New proton exchange membranes based on polymerized ionic liquids for fuel cells
Lucia Gomez Coma¹ ; Victor-manuel Ortiz Martínez¹ ; Alfredo Ortiz¹ ; Inmaculada Ortiz¹ ; ¹University of Cantabria, Santander, Spain;
Paper Id: 5 [Abstract]

The development of new proton exchange membranes (PEMs) has gained growing attention in the last few years for their use in electrochemical devices [1]. Fuel cell, FC, technology is among the most relevant applications of PEMs. FCs directly convert chemical energy into electricity. A wide range of materials has been tested as membranes in fuel cells. Perfluorinated polymeric sulfonic acids (commonly known as Nafion^®), however, are considered the standard PEM membrane type due to their advantageous properties, which include high proton conductivity, good mechanical strength and long lifetime. These advantages are counterbalanced by the high cost and the operational limitations under non-humidified and high-temperature conditions. On their part, polymeric ionic liquids (PILs) are attracting growing research interest as fuel cell membrane electrolytes because of their numerous advantages since they combine the unique properties of ionic liquids (ILs) and the intrinsic properties of polymers [2]. Several strategies to promote PIL membranes have been reported to date, based on (i) the incorporation of ILs into a polymer network by mixing both phases, typically by casting techniques, (ii) formation of solid membranes through conventional polymerization of IL monomers and (iii) a new attractive alternative consisting of IL photopolymerization, since this technique provides short synthesis times at room working temperatures and easy control [1]. This works focuses on the development of new PEMs through the photopolymerization of protic ILs such as 1-(4-sulphobutyl)-3-vinylimidazolium trifluoromethanesulphonate, ([HSO₃-BVIm][TfO]). Several strategies have been followed to assess the performance of IL-based membranes: (i) photopolymerization of the IL in the absence of other monomers; (ii) photocopolymerization of the IL with methyl methacrylate (MMA) and iii) photocopolymerization of the IL with perfluoro-3,6-dioxa-4-methyl-7-octene sulfonyl fluoride in its hydrolyzed form (hPFSVE). The results show higher values of conductivity for the copolymerized membranes, within the range 10^-3 - 10^-2 S.cm^-1, both in dry and wet conditions and even at room temperature. Thus, the new PEMs offer promising prospects for their application as PEMs in fuel cell devices.

References:
[1] Ortiz-Martínez V.M., Ortiz A., Fernández-Stefanuto V., Tojo E., Colpaert M., Améduri B., Ortiz I. Fuel cell electrolyte membranes based on copolymers of protic ionic liquid [HSO₃-BVIm][TfO] with MMA and hPFSVE, Polymer, 179 (219) 121583.
[2] M. Díaz, A. Ortiz, I. Ortiz. Progress in the use of ionic liquids as electrolyte membranes in fuel cells, Journal of Membrane Science, 469 (2014) 379–396.

16:45: [AdvancedMaterialsTuePM211] OS
A promising alternative for oxygen production – application of air-operating <i>R</i>MnO_3+δ oxides in low-temperature TSA
Kacper Cichy¹ ; Konrad Swierczek² ; Juliusz Dąbrowa³ ; ¹AGH University of Science and Technology, Krakow, Poland; ²AGH University of Science and Technology, Faculty of Energy and Fuels, Krakow, Poland; ³AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Kraków, Poland;
Paper Id: 205 [Abstract]

The oxygen demand for medical and industrial needs grows over 6% annually from 2015, and it is estimated that the oxygen market will grow from $27.7 billion in 2019 to even $ 36.5 billion in 2030 [1]. According to The Business Research Company, this growth will be also driven by COVID-19 and the medical needs it imposes [1].<br /> Today, most of the oxygen produced for large-scale industry needs is obtained by cryogenic distillation, which due to the high energy consumption of the liquefaction of gases from the air, is an expensive method [2]. A promising alternative to the cryogenic oxygen production technology is air separation by temperature-swing adsorption (TSA) where so-called oxygen storage materials (OSM) are used. OSMs can reversibly exchange a significant amount of oxygen between their structure and atmosphere.<br /> In the last 2 decades, renewed interest in <i>R</i>MnO_3+δ oxides appeared, in terms of their application as OSMs. Their main advantage (contrary to other groups of OSMs, [3]) is the ability to work in the temperature-swing mode at temperatures as low as 200-300 °C, which is promising from both, economical and construction points of view. However, until now most of those materials operated effectively only in pure O₂ atmosphere, which is not applicable for oxygen production.<br /> A significant breakthrough has come with the results of the recent research, as it was possible to design <i>R</i>MnO_3+δ materials able to operate in air practically as effectively as in O₂ atmosphere [4]. Also, some general rules were established in terms of designing such air-operating OSMs, like dependence of oxygen storage capacity (OSC) on ionic radius of R.<br /> Nd-substituted Y_1-xNd_xMnO_3+δ materials described in this work were synthesized via sol-gel auto-combustion method followed by several variations of annealing at elevated temperatures in different atmospheres. Crystal structure and phase composition of prepared powders were examined by means of X-ray diffractometry (XRD). Oxygen storage performance was evaluated using thermogravimetry. Structure and composition of oxidized samples were also investigated by XRD. Morphology of powders was examined by scanning electron microscopy.<br /> It was established that proper modification of the preparation route of the Nd-substituted Y_1-xNd_xMnO_3+δ can increase the OSC more than twice and greatly improve the rate of redox reactions. The laboratory-scale apparatus for oxygen separation from air via TSA was designed and constructed. Equipment was tested using the YMnO3+δ-based materials developed in this work.

References:
[1] The Business Research Company, Oxygen Global Market Opportunities And Strategies (2020)\n[2] O. Parkkima, YBaCo4O_7+δ and YMnO_3+δ Based Oxygen-Storage Materials, PhD Thesis, Aalto University, Aalto, Finland, 2014\n[3] T. Motohashi, Y. Hirano, Y. Masubuchi, K. Oshima, T. Setoyama, S. Kikkawa, Chem. Mater. 25 (2013) 372-377\n[4] K. Cichy, K. Świerczek, K. Jarosz, A. Klimkowicz, M. Marzec, M. Gajewska, B. Dabrowski, Acta Mater. 205 (2021) 116544

17:10: [AdvancedMaterialsTuePM212] OS
From simple alkaline oxides to high entropy transition metals oxides - applications in electrochemical energy storage
Janina Molenda¹ ; ¹AGH University of Science and Technology, Kraków, Kraków, Poland;
Paper Id: 139 [Abstract]

The author of this work based on her own investigations of LixMO2 cathode materials (M=Ni, Co, Mn, Cu) has demonstrated that the chemical disorder influenced on electronic structure of these materials plays an important role in the electrochemical intercalation process [1]. The paper reveals correlation between chemical disorder, crystal and electronic structure, transport and electrochemical properties of layered LixCoO2, LixNi1-y-zCoyCuzMn0.1O2 and NaxCoO2-y cathode materials and explains of apparently different character of the discharge/charge curve in those systems. Comprehensive experimental studies of physicochemical properties of LixNi1-y-zCoyCuzMn0.1O2, NaxCoO2-y and NaNi1/5Co1/5Fe1/5Mn1/5Ti1/5O2 cathode materials (XRD, electrical conductivity, thermoelectric power) are supported by electronic structure calculations performed using the Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA) to account for chemical disorder. It is found that even small O defects (~1%) may significantly modify DOS characteristics via formation of extra broad peaks inside the former gap leading to its substantial reduction. Moreover, these DOS peaks of “defects” strongly evolve with Li and Na contents, actually leading to the overall reduction of the gap and even to the pseudogap. The battery on the base of the developed high entropy oxides NaNi1/5Co1/5Fe1/5Mn1/5Ti1/5O2 cathode materials are characterized by high potential, high capacity and high rate capability guaranteeing high energy and power densities. Acknowledgements This work was funded by the National Science Centre Poland (NCN) under the “OPUS 17 programme on the basis of the decision number 2019/33/B/ST8/00196.

References:
J.Molenda, A.Milewska, W. Zajac, M.Rybski, J. Tobola, Phys. Chem. Phys. Chem. 19, (2017) 5697

SESSION: AdvancedMaterialsTuePM3-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Tue. 29 Nov. 2022 / Room: Saitong
Session Chairs: Keyun Li; Session Monitor: TBA

17:50: [AdvancedMaterialsTuePM313] OS
Evaluation of high-entropy oxides as candidate anode materials for Li-ion cells
Maciej Moździerz¹ ; Juliusz Dąbrowa² ; Konrad Swierczek³ ; ¹AGH University of Science and Technology, Faculty of Energy and Fuels, Kraków, Poland; ²AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Kraków, Poland; ³AGH University of Science and Technology, Faculty of Energy and Fuels, Krakow, Poland;
Paper Id: 188 [Abstract]

Nowadays, Li-ion batteries are dominating electrical energy storage systems for portable electronics, and become widespread in the fast developing electric vehicles market. Their further development is also essential for the so-called large-scale energy storage, enabling effective balancing of power grid. Consequently, there is a growing worldwide demand for the next generation of Li-ion cells, having higher energy density, higher power, improved safety, and extended lifespan. Up to date, many novel alternative materials have been proposed as substitution for those currently used in the commercial Li-ion cells, which are usually based on lithium metal oxide cathodes and graphite anodes [1,2]. Among new candidate anode materials, those working on a basis of different reaction mechanisms with lithium have been proposed, including conversion-type and alloying-type reactivity, as compared with intercalation-based electrochemical reaction occurring for commonly used graphite. While high capacity could be obtained for various studied compositions, there are still many unresolved issues, with the main one including fast capacity fading during charge-discharge cycles [2]. Most recently it has been found that application of the novel group of compounds, the multi-component high-entropy oxides, allows significantly improving stability during cycling, which is thanks to synergistic effects [3]. In the literature there is an ongoing debate about electrochemical mechanisms occurring for the high-entropy electrodes, which have not been fully understood yet [3,4,5]. This work is focused on the exploration of the high-entropy oxides as anode materials in Li-ion cells. The presented studies were aimed on finding the correlation between chemical composition, crystal structure and electrochemical performance. Different, at least five-component oxides from Li-Co-Cu-Cr-Fe-Mn-Ni-Mg-Sn-Zn-O system were successfully synthesized, with their crystal structure characterized through X-ray diffraction method, to be cubic Fm-3m for MO, and Fd-3m for M₃O₄ materials, respectively. Homogeneity of the compounds was confirmed with scanning electron microscopy, combined with elemental analysis. In order to test electrochemical performance in Li-ion batteries, galvanostatic charge/discharge, cyclic voltammetry and impedance spectroscopy techniques were used. Interesting results, with high and reversible capacity observed for both groups of the studied high-entropy oxides were obtained. For example, for (Co,Cr,Fe,Mn,Ni)₃O₄-based anode discharge capacity exceeding 400 mAhg^-1 was measured in the first 20 cycles. Based on operando structural investigations, the respective models of the electrochemical reactions could be postulated. The performed studies proved applicability of the high-entropy approach to design novel Li-ion anode materials having improved electrochemical characteristics.

References:
[1] S. Chu et al., Nat. Mater., vol. 16, no. 1, pp. 16–22, 2016.
[2] K. Cao et al., Mater. Chem. Front., vol. 1, no. 11, pp. 2213–2242, 2017.
[3] A. Sarkar et al., Nat. Commun., vol. 9, no. 1, 2018.
[4] P. Ghigna et al., ACS Appl. Mater. Interfaces (2020), https://doi.org/10.1021/acsami.0c13161.
[5] T.-Y. Chen et al., J. Mater. Chem. A. 8 (2020) 21756–21770.

18:15: [AdvancedMaterialsTuePM314] OS
Cu-based perovskite-type oxides as air electrodes for Solid Oxide Cells
Keyun Li¹ ; Anna Niemczyk² ; Konrad Swierczek¹ ; Yevgeniy Naumovich² ; Jakub Kupecki² ; Anna Olszewska¹ ; Kun Zheng³ ; Bogdan Dabrowski⁴ ; ¹AGH University of Science and Technology, Faculty of Energy and Fuels, Krakow, Poland; ²Institute of Power Engineering - Research Institute, Warsaw, Poland; ³AGH University of Science and Technology, Krakow, Poland; ⁴Polish Academy of Sciences, Institute of Physics, Warsaw, Poland;
Paper Id: 189 [Abstract]

Reversible solid oxide cells (rSOC), which can act as an electricity and heat generator converting the chemical energy of fuel, as well as an electrolyzer generating hydrogen in the reversed mode operation (exploiting surplus electrical energy), are considered as unique energy conversion devices [1, 2]. Their application seems to be especially suitable in the dispersed power systems, possibly enabling to address unresolved problems of power grid balancing. For their effective work, electrochemical reactions taking place at the electrodes must be sufficiently fast and reversible, which requires for the electrode materials to possess a number of specific properties, including high electrocatalytic activity and suitable thermomechanical properties. Nowadays, Co-based perovskite-type oxides are most widely-used compounds for the air electrodes, however, political and environmental factors indicate a need to replace Co with other 3d transition metal elements. In various proposed materials Co was successfully replaced by e.g. Fe or Mn [3, 4], there are not so many papers available on the possible introduction of Cu. However, several already published works show that Cu-based perovskite-type oxides can work effectively when used in the SOCs [5]. In this work, different issues related to the development of Cu-containing air electrode compounds are discussed, focused on the proposed RE_1-xA_xCu_xO_3-δ (RE: selected rare-earth elements, A: selected alkaline-earth metals) perovskite-type oxides. The considered materials were explored concerning their crystal lattice, thermal expansion behavior, oxygen content, as well as mixed ionic-electronic transport properties. For the exemplary La_1.5Ba_1.5Cu₃O_7±δ, two synthesis routes, sol-gel and solid-state, allowed to successfully obtain pure material. The synthesized perovskite exhibits favorable physicochemical characteristics, including layered crystal structure, and mixed Cu²⁺/Cu³⁺ states, which can be linked with the enhanced activity of the oxygen reduction/oxygen evolution reactions. The stabilized layered crystal structure with P4/mmm symmetry is beneficial to the enhanced electrical conductivity, at the same time allowing to keep moderate thermal expansion coefficient (ca. 15.5·10^-6 K^-1 at 50-900 °C). Additionally, laboratory-scale button-type cells (in the electrolyte-supported and the anode-supported configurations) could be manufactured and tested in terms of their electrochemical performance, confirming applicability of the developed material.

References:
[1] A. Arsalis, Renew Sustain Energy Rev. 105 (2019) 391-414
[2] U.M. Damo et al., Energy 168 (2019) 235-246
[3] F. Tietz et al., J. Power Sources 156, 20–22 (2006).
[4] A. Olszewska et al., J. Mater. Chem. A 6(27) (2018) 13271-13285
[5] A. Niemczyk et al., J. Mater. Chem. A 7(48) (2019) 27403-27416

SESSION: AdvancedMaterialsWedAM-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Wed. 30 Nov. 2022 / Room: Saitong
Session Chairs: Luminita Andronic; Sang-June Choi; Session Monitor: TBA

11:30: [AdvancedMaterialsWedAM01] OS
Efficient light responsive (UCNPs)-Pt@MOF/Au composites for photocatalytic hydrogen evolution by harvesting from extended UV to near-infrared
Sang-june Choi¹ ; ¹Kyungpook National University, Daegu, South Korea;
Paper Id: 52 [Abstract]

<p>Photocatalytic hydrogen production through water splitting based on semiconductor catalysts has been the subject of intense research since it delivers an alternative to substitute fossil fuels with clean and renewable energy [1]. In the pioneering work, in 1972, Honda and Fujishima [2] successfully demonstrated photocatalytic H2 generation by water splitting using semiconductor photo-catalysts. Photocatalytic water splitting by utilizing broadband spectral response from UV to near-infrared (NIR) region is a big challenge and yet a prime target. 50% of the solar spectrum constituted by NIR light, and in this work, our objective is to increase absorption range from UV-visible to NIR by using (UCNPs)-Pt@MOF/Au composites. In this context, lanthanide-doped upconversion nanoparticles (UCNPs) can convert NIR to UV and visible, which are then harvested by the metal-organic framework (MOF) and Au. MOF and plasmonic Au nanoparticles (NPs) broaden the absorption of UV light to a visible region as well as speed up the transfer of charges considerably [3]. For this experiment, we used MIL-125 as a MOF because it is a wide-bandgap semiconductor [4]. The spatial separation of Pt and Au particles by the MOF further steers the charge migration and also provides access to active Pt sites for the catalytic product; as a result, the optimized composite exhibits high photocatalytic H2 production rate under UV, visible and NIR regions.</p>

References:
<p>[1] N.S. Lewis, D.G. Nocera, Proc. Natl. Acad. Sci. 103 (2006) 15729&ndash;15735. [2] A. Fujishima, K. Honda, Nature 238 (1972) 37&ndash;38. [3] D. Li, S.H. Yu, H.L. Jiang, Adv. Mater. 30 (2018) 1&ndash;7.</p>

11:55: [AdvancedMaterialsWedAM02] OS
PHOTOLUMINESCENT FILMS FOR LED DISPLAY LIGHTING SYSTEMS WITH BIOLOGICALLY ADEQUATE RADIATION SPECTRUM
Lyudmila Bikova¹ ; Nina Zhelyabovskaya¹ ; Valentina Lichmanova¹ ; Polina Merkulova¹ ; Vladimir Ulasyuk² ; ¹ELTAN Corp, Fryazino, Russian Federation; ²SRC Biolumen, Fryazino, Russian Federation;
Paper Id: 287 [Abstract]

A number of studies have shown that modern LED light sources have a noticeable negative effect on human health, affecting the retina of the eye. The harm is caused by short-wave blue and violet light, which in the spectrum of such light sources has in some cases an intensity increased up to 30% compared to ordinary incandescent lamps. For example, in [1] summarized data on the sensitivity to the spectral distribution of light perceived by the eye, showing the dependences of acute UV-blue phototoxicity, spectral sensitivity of melanopsin with a maximum at 479-483 nm, and sensitivity to suppression of the generation of melatonin with a maximum at 459-464 nm, more dependent on blue light than visual functions mediated by rods (rhodopsin). In order to overcome this drawback of LED light sources, including those used in display backlight systems, the authors of [2] first proposed and developed the concept of LED light sources with a biologically adequate radiation spectrum (BALEDS) [3]. For the production of BALEDS, a technology has been developed for the production of composite photoluminescent films (PLP) from a suspension of a two-component silicone compound OE 6636 (Dow Corning) and photoluminophores based on aluminum-gallium garnets of rare-earth elements activated by cerium with a composition described by the stoichiometric formula Y3-y-zLuyCezAl5-xGaxO12, where 1.8 <x <2.1, 0≤y≤2.86, 0.12≤z≤0.15. PLP are made by applying a suspension to a polyester film using an automatic applicator, followed by annealing in air for 1 hour at a temperature of 100 °C. The PLP containing the photoluminophore (Y2.79Ce0.12Lu0.09Al3.1Ga1.9O12) and excited by an LED with a maximum radiation at a wavelength of 480 nm is used for LED backlight of the augmented reality area of a LCD for projection on a windshield [4]. This work was carried out with the partial support of the RFBR grant (project No. 20-07-01063_a).

References:
1. M.A. Mainster. Violet and blue light blocking intraocular lenses: photoprotection versus photoreception. British Journal of Ophthalmology, 90, pp. 784-792 (2006).
2. V. Ulasyuk, N. Soschin. Biologically adequate white LED lamps based on rare earth phosphors 4th International Workshop on PHOTOLUMINESCENCE IN RARE EARTHS: PHOTONIC MATERIALS AND DEVICES (PRE'12). Kyoto, Japan, 28-30 March 2012.
3. Ulasyuk V.N. LED white light source with biologically adequate emission spectrum. Patent RU2693632. Published: 03.07.2019 Bul. No. 19.
4. Ulasyuk V.N. Car head-up display. Patent RU2732340. Published: 09/15/2020 Bul. No. 26.

12:20: [AdvancedMaterialsWedAM03] OS
Black TiO2 with enhanced visible light photocatalytic performance for wastewater pollutants degradation
Luminita Andronic¹ ; Cristina Cazan² ; ¹Transilvania University of Brasov, Brasov, Romania; ²TRANSILVANIA UNIVERSITY OF BRASOV, Brasov, Romania;
Paper Id: 194 [Abstract]

A highly efficient black TiO₂ photocatalysts for wastewater treatment were prepared. The synthesis of promising black TiO₂ has been focused on optimizing different reductant photocatalytic materials, active under both UV and visible light illumination was synthesized by sol-gel method followed by the chemical reduction of pristine white TiO₂. Pristine titanium oxide nanoparticles have been synthesized using the sol-gel method from precursors of titanium isopropoxide, ethanol and nitric acid following by annealing at different temperatures between 400 and 800°C, in air and argon atmospheres. At high temperature, larger particles grow at the smaller particles leading to more nucleation of the nano-clusters and more growth centres. Heat treatment in the synthesis process affects anatase-rutile ratio, crystalline nature of the particles, morphology, and porosity. Colour change of pristine TiO₂ powder has been monitored under chemical reduction targeting a higher photocatalytic activity for pesticides, phenolic compounds and drugs degradation under UV and solar irradiation. The narrower bandgap of black TiO₂ extends the photoresponse to the visible light region. The black titanium oxide nanoparticles show excellent visible-light photocatalytic activity for pollutants degradation.

12:45: [AdvancedMaterialsWedAM04] OS
SONOHYDROTHERMAL SYNTHESIS OF NANOMATERIALS
Sergey Nikitenko¹ ; ¹Institut de Chimie Séparative de Marcoule, Bagnols-sur-Cèze, France;
Paper Id: 24 [Abstract]

Hydrothermal treatment (10≤P≤200 bar and 150≤T≤325°C) has been proven to be efficient for the synthesis of materials with advanced properties [1]. Power ultrasound is also applied for similar purposes [2]. We have developed an innovative reactor providing simultaneous ultrasonic and hydrothermal treatment, called sonohydrothermal (SHT) reactor, which allows to benefit from the advantages of both techniques. Physical and chemical effects of power ultrasound derive from acoustic cavitation, that is, formation, growth, and implosive collapse of gas-filled microbubbles in a liquid subjected to ultrasonic waves (f>16 kHz). Acoustic noise spectra (ANS) revealed that the effects of 20 kHz ultrasound in hydrothermal water are mostly driven by stable cavitation. In the entire range of studied conditions the ANS exhibit several harmonics (nf₀, f₀=20 kHz) indicating nonlinear bubble oscillations synchronized with the fundamental frequency f₀. However, the spectra at 200°C and pressure of 14 bar are more specific and characterized by strong subharmonic (f₀/2) and multiple ultraharmonic (nf₀/2) bands. In addition, these spectra exhibit numerous stochastic oscillations in the vicinity of principal lines indicating strong contribution of chaotic bubble behavior. Addition of TiO₂ nanopowder to SHT reactor heated at 200°C causes the disappearance of subharmonics, ultraharmonics and stochastic oscillations, which can be explained by the stabilization of oscillating bubbles due to the Pickering-like effect. SHT treatment (T=150-200°C, P=6-14 bar) of titanium metal nanoparticles in pure water provides a facile synthetic route to prepare core-shell Ti@TiO₂ nanoparticles composed of quasi-spherical metallic Ti core (20-80 nm) coated by 5-15 nm crystals of defect-free anatase with small amounts of rutile [3]. Ti@TiO₂ NPs exhibit strong photothermal effect in H₂ production from aqueous solutions of glycerol and pure water as well [4]. The apparent activation energy (E_a=32±2 kJ·mol^-1) assumes that photothermal effect arises from diffusion of intermediates or from water dynamics at the surface of catalyst.

References:
[1] A. Rabenau, Angew. Chem. Int. Edit. 24 (1985) 1026-1040.
[2] J.H. Bang, K.S. Suslick, Adv. Mater. 22 (2010) 1039-1059.
[3] S.I. Nikitenko, T. Chave, C. Cau, H.-P. Brau, V. Flaud, ACS Catal. 5 (2015) 4790-4795.
[4] S.I. Nikitenko, T. Chave, X. Le Goff, Part. Part. Syst. Char. 2018, 35, 1800265.

SESSION: AdvancedMaterialsWedPM1-R10	6th Intl. Symp. on New & Advanced Materials & Technologies for Energy, Environment, Health & Sustainable Development
Wed. 30 Nov. 2022 / Room: Saitong
Session Chairs: Daiva Sileikiene; Eduard Akim; Session Monitor: TBA

14:00: [AdvancedMaterialsWedPM105] OS
Segregation method for processing of gold-containing copper oxidized ores, secondary quartzites and residues of chalcopyrite concentrates
Vaja Chagelishvili¹ ; Rusudan Chagelishvili ² ; Tsisana Gagnidze² ; Nestan Gegia³ ; Ekaterine Ukleba³ ; ¹Rafael Agladze Institute Of Inorganic Chemistry and Electrochemistry, Ivane Javakhishvili Tbilisi State University, Tbilisi, Georgia; ²Ivane Javakhishvili Tbilisi State University, Rafael Agladze Institute of Inorganic Chemistry and Electrochemistry, Tbilisi, Georgia; ³Alexander Tvalchrelidze Caucasian Institute of Mineral Resources, Ivane Javakhishvili Tbilisi State University, Tbilisi, Georgia;
Paper Id: 88 [Abstract]

<p>In Georgia (Bolnisi region) along with major sulfide ores, containing colored and noble metals, there are low-quality, hard-enriched gold-containing copper oxidized ores and secondary quartzites, the interest in which is steadily growing. The segregation method is effective for the complex processing of this ores. The segregation method was discovered in the 1920s and found practical use 30 years later by the Anglo-American group as a "TORCO" process (Treatment Of Refractory Copper Ores). The segregation method has found application in countries: Peru, Mauritania, USA, Canada, South Africa, Kazakhstan, etc. This method ensures high quality and ecological safety of the extraction of non-ferrous and noble metals. The segregation method on the first stage implies high temperature (750-9000 C) burning of ores in neutral or weak-reduced area in the presence of coal and sodium chloride. Copper and noble metals obtained after the burning chlorides are reduced on the surface of carbon with hydrogen, which is formed by the interaction of water vapor with carbon. Metallic copper and noble metals particles are collected around the carbon. The second stage of processing is carried out by flotation enrichment of the segregation product. As a result of flotation, copper and noble metals are extracted together with coal in a concentrate, the content of which is much higher than in the conventional flotation concentrate. We have conducted work experience using the segregation method. The segregation roasting process was carried out in a tubular rotary kiln. Subsequently, there are conducted the flotation enrichment experiments of the product received after segregation roasting. Segregation roasting was used to extract gold, silver and residual copper from residues of hydro-metallurgical treatment of Madneuli (Bolnisi region) chalcopyrite concentrate. On the basis of technological research, the optimal parameters of segregation roasting of residues after their preliminary oxidative firing were determined: temperature 8500С, consumption of sodium chloride and coal respectively 1% and 1.5% by weight of residue, the duration of the process is 30-60 minutes. Under these conditions, from residues containing 1.1-1.3% copper, 38-40 g/t silver and 3.8 g/t gold, the flotation concentrate with a copper content of 8-9%, silver 232-300 g/t and gold 18-24g/t is obtained. The total recovery to the first and second flotation concentrates is 88-92% copper, 85-87% silver and 88.3-93% gold. A sharp improvement in the quality of the concentrate can be achieved by introducing the cleaning operation into the usual flotation mode (pulp pH 8-11, potassium butyl xanthate consumption 100 g/t and pine oil 50 g/t). The copper content in the first flotation concentrate increases to 42%, gold - 40g/t, silver - 1381g/t. Its yield is 2.3% by weight of the product of segregation roasting. Their extraction is about 80%, and the copper content in the flotation tailings is 0.16%. The results show that the process of segregation of the gold-containing copper oxidized ores and secondary quartzites has a positive effect on the process of further flotation enrichment of the segregation product. The degree of gold extraction in concentrate as a result of flotation of segregated product obtained by roasting of secondary quartzites (Au - 2 g/t, Cu - 0.021%) is 80%, and that of copper- 77%. Although concentrates with a gold content of 14-24 g/t have been obtained, studies are still ongoing to determine the optimal mode. Segregation was also carried out on copper oxide ore (Cu - 3.5%, Au - 0.5 g / t). The results of experiments conducted on both ores indicate the effectiveness of the segregation process in both cases. Currently, we are pointed on the determination of conditions for the optimal proceeding of the process.</p>

14:25: [AdvancedMaterialsWedPM106] OS
NANOPHONIC METAMATERIALS FOR PROJECTION MICRODISPLAYS
Lyudmila Bikova¹ ; Nina Zhelyabovskaya¹ ; Vladimir Ulasyuk² ; ¹ELTAN Corp, Fryazino, Russian Federation; ²SRC Biolumen, Fryazino, Russian Federation;
Paper Id: 359 [Abstract]

Modern thermoelectric devices tend to use inexpensive, environmentally friendly and CMOS compatible materials such as silicon. To improve the thermoelectric characteristics of silicon, researchers are trying to reduce its thermal conductivity using various nanostructuring techniques [1]. However, most of these methods are of limited effectiveness because they are expensive and destroy the internal structure of silicon. Considering that the calculated thermal conductivity of a system based on a thin silicon film with nanorods to about 50-60% of its initial thermal conductivity with practically unchanged electrical conductivity [2], it is proposed to use silicon nanophonic metamaterials for solution of the urgent problem of creation projection liquid crystal microdisplays with an active matrix of thin-film transistors for head up displays under direct sunlight. It was investigated in model experiments the possibility of nanophonic metamaterials creation in the form of columnar nanostructures (a periodic set of silicon pillars) on thin poly-silicon films using anisotropic plasma etching through a self-aligned mask, which is a set of gold nanodroplets which is created by vacuum deposition of a thin gold film on a silicon wafer followed by annealing at 500 °C without removal of the samples to air. The films were obtained by vacuum deposition of gold in Auto 500FL vacuum deposition unit at the substrate temperature of 200 ° C in a vacuum of 1.3 MPa [3]. The samples were etched in aqua regia and washed in deionized water. The surface morphology was studied using high-resolution scanning electron microscopes JSM 7500 and Supra 25, as well as using AIST-NT and AV 633 atomic force microscopes. As a result of the analysis of experimental data, it was determined that the optimal surface density of gold nanodroplets with a diameter of 20-50 nm is 2.7-3 * 109 cm-2. The use of the studied method of nanoscale modification of the surface of thin polysilicon films in order to implement the properties of nanophonic metamaterials in TFT fits well into the traditional microelectronic technology and, as it seems, should not have any significant effect on electrical characteristics of TFT, while reducing the heating of the liquid crystal from TFTs in projection microdisplays. This research was financially supported by the RFBR grant (Project № 19-07-00456).

References:
[1] Davis, B. L.; Hussein, M. I. Phys. Rev. Lett. 055505 (2014) 112.
[2] L. Bikova, N. Jelyabovskaya, V. Shukhtin and V. Ulasyuk. Proceedings of the 2019 International Conference on Power, Energy, Environment and Material Science (PEEMS 2019) ISBN: 978-1-60595-669-5.
[3] Bikova L.Yu., Dyatlovskaya G.S., Temiryazeva M.P., Ulasyuk V.N., Shukhtin V.I. Proceedings of the II Scientific and Technical Conference "Materials with specified properties in the transition to a new technological order: chemical technologies" - Moscow: SRC "Kurchatov Institute" - IREA (2020) 73-75.

14:50: [AdvancedMaterialsWedPM107] OS
Evaluation of Sprayed with Ozonated Water Spring Barley (Hordeum vulgare L.) Grain Quality by Chemical and Holistic Methods
Daiva Sileikiene¹ ; ¹Vytautas Magnus university, Kaunas, Lithuania;
Paper Id: 85 [Abstract]

<p>Research objects used herein are chemical and holistic test methods for spring barley and ozonated grain. The aim of this research project is to (1) analyze the influence of ozone-saturated water spray on chemical and electrochemical parameters of spring barley grain, (2) determine the electrochemical characteristics of barley grain grown by spraying with ozone and water by seasonality, (3) evaluate the electrochemical parameters of barley grain according to the applied technologies, and (4) analyze the possibilities of applying the method of biocrystallization for the quality of spring barley grain. Methods used include identification of chemical and electrochemical parameters, biocrystallization, and analysis of numerical values of independent evaluators. After the evaluation of spring barley cultivated using ozone-sprayed water, no statistically reliable effect of ozonated water on grain quality was established. Spraying with more water (plain and ozonized) shows a downward trend in numerical values of absolute redox potential. The lowest energy P numerical values were calculated for barley grain, which was sprayed with water 4 times. Biocrystallization method for barley grain quality requires further preparation of the methodology.</p>

References:
<p>1. Glowacz, M., &amp; Rees, D. (2016). The practicality of using ozone with fruit and vegetables. Journal of the Science of Food and Agriculture, Nr. 96(14),P. 4637-4643. 2. Mahapatra A.K., Muthukumarappan K., Julson J.L. (2005). Application of ozone, bacteriocins and irradiation in food processing: a review. Crit Rev Food Sci 45:447&ndash;461. 3. Manning, W. J., Tiedemann, A. V. (1995). Climate change: Potential effects of increased atmospheric Carbon dioxide (CO2), ozone (O3), and ultraviolet-B (UV-B) radiation on plant diseases, In Environmental Pollution, Vol. 88, Issue 2, p. 219-245, ISSN 0269-7491. https://doi.org/10.1016/0269-7491(95)91446-R. 4. Pazarlar, S., Cetinkaya, N., Bor, M., &amp; Ozdemir, F. (2017). Ozone triggers different defence mechanisms against powdery mildew (Blumeria graminis DC. Speer f. Sp. Tritici) in susceptible and resistant wheat genotypes. Functional Plant Biology, 44(10), 1016-1028.</p>

15:15: [AdvancedMaterialsWedPM108] OL
High Density Solid Biofuel (HDSBF) technologies for circular economy
Aleksander Pekarez¹ ; Michail Akim² ; Svetlana Rogovina³ ; Aleksander Berlin⁴ ; Eduard Akim¹ ; ¹SPbSUITD, St. Petersburg, Russian Federation; ²HSE University, Moscow, Russian Federation; ³3Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences,, Moscow, Russia, Russian Federation; ⁴Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences,, Moscow, Russian Federation;
Paper Id: 310 [Abstract]

Eduard Akim¹, Aleksandr Pekaretz¹, Michael Akim², Svetlana Rogovina³, Alersandr Berlin³ ¹St. Petersburg State University of Industrial Technologies and Design, St. Petersburg, 191186 Russia ²HSE University, Moscow, 119049, Russia ³Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Moscow, 119991 Russia Key words: solid biofuels, relaxation state, torrefied briquettes Forests are the main natural sink of greenhouse gases in terrestrial ecosystems in the world while providing the main reproducible resource – wood, which is increasingly used for the production of fuels, according to the international classification, with a zero carbon footprint. In 2020 the global production of solid biofuels (SBF) of the second generation – pellets and briquettes exceeded 50 million tons. Russia exported 2.3 million tons of pellets and briquettes in 2020, while a number of Russian Forestry Companies are implementing ESG programs. The development and widespread use of biofuels is one of the main sustainability trends, particularly in energy sector, but not without criticisms, therefore an effectiveness of biofuel production, logistics and usage is crucial. For instance, excessive cultivation of plants used for biofuel production could exacerbate climate change and destroy the sensitive ecosystems, might contribute to world hunger because land is being used to grow trees, oil palms, soybeans, and sugarcane rather than food. In the context of shrinking global resources with a growing population of the planet, improving the efficiency of wood use, in particular, in the production of SBF of the second generation, is critical. We have developed and implemented a new technology of producing of HDSBF - cellulose composites for energy purposes - wood briquettes with a density of up to 1300-1320 kg/m3. The technology is based on a directed change of relaxation state of polymeric components of wood at the principal stages of HDSBF production [1-3]. The transition to energy-saving technology is carried out at the expense of the brittle destruction of sawdust dried in aerodynamic conditions to practically zero moisture content, and their dispersion - transformation into a powder material. The extrudability of the powder is ensured by subsequent steam humidification. An anomaly of the apparent viscosity of the wood system in the extruder due to the joint action of water vapor, gaseous pyrolysis products, as well as temperature and shear stresses was found. As a result of extrusion wood briquettes with a density up to 1300-1320 kg/m3 are obtained. Having a high density, these briquettes during production can be subjected to torrefication and carbonization with the formation of high-calorie hydrophobic products - torrefied briquettes (TB) and carbonized briquettes (CB), suitable for both combustion and sequestration of carbon [2-5]. At the same time, pellets can be torrefied together with briquettes. TB and pellets are especially in demand for co-firing at coal-fired power plants. Five technological lines have been launched in Russia based on this technology [2-4]. A similar bio-fuel production facility has been established in Riga (Latvia), where a machine-building production according to the EU standard has also been created. The specific features of this technology and arising changes in the polymer structure allows one to use it not only for processing of sawdust, but also for utilization of plastic waste and hydrolytic lignin from dumps. In the latter case HDSBFs with properties corresponding to TB are directly obtained.

References:
REFERENCES:
1. Akim E.L., Rogovina S.Z., Berlin A.A. Fatigue Strength of Wood and the Relaxation State of Its Polymer Components // Doklady Physical Chemistry. 2020. V. 491. № 2. P. 33-35.
2. Akim E.L., Mandre Yu. G., Pekaretz A.A. Changes in the relaxation state of the polymer components of wood during its high-temperature biorefining // Fibre Chemistry. 2019. V. 51. P. 164-169.
3. Akim E.L., Pekaretz A.A., Rogovina S.Z., Berlin A.A. Relaxation State of Wood and Production of Cellulose Composites for Energy Purposes: Wood Briquettes and Pellets // Polymer Sci. Ser. D. 2021. V. 14. №. 1. P. 102-105.
4. Pekaretz A. Patent RU 2596683; Patent RU 2628602; Patent RU 2653513; Patent RU 2678089.
5. Pekaretz A., Mandre Y., Vinogradov N., Akim E. Biorefining of larch sawdust producing wood and wood-charcoal briquettes: scientific and technological aspects // Proceedings 27th European Biomass Conference and Exhibition, 27-30 May 2019. Lisbon, Portugal. Р. 1887-1889.

SESSION: ManufacturingWedPM2-R10	3rd Intl. Symp.on Advanced Manufacturing for Sustainable Development
Wed. 30 Nov. 2022 / Room: Saitong
Session Chairs: I.G. Kim; Jan Dzugan; Session Monitor: TBA

15:55: [ManufacturingWedPM209] OS
Special Titanium Alloys Deposition by Directed Energy Deposition System
Jan Dzugan¹ ; Libor Kraus¹ ; ¹COMTES FHT Inc., Dobrany, Czech Republic;
Paper Id: 268 [Abstract]

As the additive manufacturing (AM) processes are developing and expanding their capabilities and subsequently also application fields, new alloys are being implemented in order to fulfil specific requirements for highly demanding applications. In the current paper, beta-titanium alloy Ti-13Zr13Nb is investigated. This materials is special due to low elastic modulus and its certification for bio applications. The experimental material is deposited by powder blown directed energy deposition process. Microstructure and local mechanical properties at room temperature under quasi-static loading conditions are investigated here. Optical and electron microscopy investigations including EBSD analyses are carried out here in order to provide detailed information on the microstructure of the AM deposited material. Mechanical properties in terms of tensile properties are investigated using miniaturized tensile test specimens excised in various orientations regarding the deposition process. Microstructure and mechanical properties homogeneity together with imperfections observations are investigated for the material of interest. Obtained results are compared with properties of the other Ti-alloys produced in conventional way and by AM processes.

16:20: [ManufacturingWedPM210] OS
AM Deposited Beta Titanium Alloys For Biomedical Applications
Jan Dzugan¹ ; Sylwia Rzepa² ; Matej Daniel³ ; Wei-chin Huang⁴ ; Michal Sibr⁵ ; Libor Kraus¹ ; ¹COMTES FHT Inc., Dobrany, Czech Republic; ²COMTES FHT, Dobrany, Czech Republic; ³CTU Prague, Prague, Czech Republic; ⁴ITRI, Hsinchu, Taiwan; ⁵Prospon, Kladno, Czech Republic;
Paper Id: 420 [Abstract]

AM deposition of components for the biomedical applications increases gradually its applications. There has been done a lot of work on AM deposition of Ti alloys such as commercially pure alloys Ti Gr.2, Ti Gr.4 and mainly Ti-6Al-4V alloy. However, there are some drawbacks such a slow strength values for both Ti Gr. 2 and 4 and relatively high elastic modulus for all mentioned Ti alloys (1-3). Moreover, Ti-6Al-4V exhibits potentially negative aspect related to alloying elements dissolution in the body and absorption by human organs. Therefore, other alloys are being There are currently certified two beta-titanium alloys for the biomedical applications: Ti-13Nb-13Zr (ASTM F1713) and Ti-12Mo-6Zr-2Fe (ASTM F1813), that are investigated in this work. These materials are in the presented study deposited by Laser Powder Bed Fusions process (LPBF) and by Directed energy Deposition system (DED). Microstructures investigations are accompanied by mechanical properties assessment in terms of quasi-static and cyclic test, that are presented here together with dynamic elastic modulus measurements. The elastic modulus values achieved here are significantly closer to behavior of human bone, than standardly used Ti 6Al-4V. Assessment of behavior for both consider alloys deposited by two AM deposition processes is performed based on the results achieved here and compared with previously obtained results for Ti 6Al-4V.

References:
1. Dzugan, J et. Al.: Effects of thickness and orientation on the small scale fracture behaviour of additively manufactured Ti-6Al-4V, 2018, MATERIALS CHARACTERIZATION 143 , pp.94-109
2. Pehlivan, E et. al: Effects of build orientation and sample geometry on the mechanical response of miniature CP-Ti Grade 2 strut samples manufactured by laser powder bed fusion, 2020, ADDITIVE MANUFACTURING 35
3. Stráský, J et.al.: Achieving high strength and low elastic modulus in interstitial biomedical Ti–Nb–Zr–O alloys through compositional optimization, 2022, Materials Science and Engineering A, 839, 142833.

16:45: [ManufacturingWedPM211] OS
Manufacture of the Invar Fine Metal Mask Using an Electroforming Technique
I.g. Kim¹ ; Y.b. Park² ; ¹, Suncheon, Republic of South Korea; ²Sunchon National University, Suncheon, Republic of South Korea;
Paper Id: 31 [Abstract]

In the manufacturing processes of red-green-blue (RGB)-type organic light emitting diode (OLED) displays, Invar (Fe-36 wt.% Ni alloy) is used as a material for the fine metal mask (FMM), which guides the evaporated diode materials through its small holes onto the correct positions of the substrate glass. Because the hole size of the FMM should not change during the evaporation process, Invar, whose thermal expansivity approaches zero[1], must be used for the FMM material. For high-quality color images in the display, the thickness of the FMM needs to be thinner [2]. Contrary to the conventional top-down method of producing Invar, a bottom-up approach of electroforming is a promising technology for producing very thin FMMs. The present authors have recently presented that the electroformed Invar via sophisticated heat treatment exhibits the coefficient of thermal expansion (CTE) lower than that of the conventional Invar [3]. The current work has been aimed at investigating the effect of the microstructure evolution on the CTE during heat treatment in electroformed Invar. Finally, we propose optimal process conditions to manufacture the Invar FMM applied for an ultra high definition (UHD) grade of the OLED display.

References:
[1] Guillaume, C.É. Recherches sur les aciers au nickel. Dilatations aux températures élevées; résistance électrique. Comp. Rend. Acard. Sci. 1897, 125, 235–238.\n[2] Kim, C.W.; Kim, K.S.; Park, J.K.; Kim, D.H.; Jung, K.R. FMM Material and Manufacturing Process for UHD Resolution AMOLED Displays, SID 2019 DIGEST. 2019, 1079-1082.\n[3] Park, Y.B.; Kim, I.G. The Gain of Low Thermal Expansivity via Phase Transition in Electroformed Invar, Coatings. 2018, 8, 169.

17:10: [ManufacturingWedPM212] OS
Microstructure Modeling of Uniform Droplet Sprayed Deposits for Mg Alloy-Based Additive Manufacturing
Charalabos Doumanidis¹ ; ¹Vin University, Hanoi, Vietnam;
Paper Id: 47 [Abstract]

<p>This article addresses modeling of the solidifying material structure during 3D welding/printing of fully dense Mg alloy products by fused deposition of molten droplets from a uniform droplet spray source on a motorized X-Y table substrate [1]. The resulting crystallite size distribution is simulated by a solidification model consisting of nucleation/fragmentation and constrained growth description, calibrated via structural data from a single droplet splat [2]. This is enabled by a semi-analytical thermal modeling framework, based on superposition of moving Green's and Rosenthal functions for the temperature field from a Gaussian source distribution [3], in which the deposit solid geometry and heat transfer boundary conditions are accounted for by mirror source images of modulated efficiency [4]. The simulation model is implemented for layered ellipsoidal deposit sections on planar substrates by multi-pass spraying, and its predictions are validated against measured crystal size by image analysis of experimental micrographs of a Mg97ZnY2 alloy, to an error margin of +15%. The computationally efficient simulation provides insight to the deposit microstructure, and is intended as a process observer in a closed-loop, adaptive control scheme based on infrared temperature measurements.</p>

References:
<p>[1] Fukuda H, "Droplet-Based Processing of Magnesium Alloys for the Production of High-Performance Bulk Materials", PhD Thesis, MIE Dept, Northeastern University, Boston, MA (2009). [2] Ioannou Y, Fukuda H, Rebholz C, Liao Y, Ando T. Doumanidis C.C, "Constrained crystal growth during solidification of particles and splats in uniform droplet sprays", Int J Adv Manuf Technol 107, 1205&ndash;1221 (2020). [3] Rosenthal, D., "Mathematical Theory of Heat Distribution During Welding and Cutting", Welding Journal 20 (5), (1941), pp. 220s - 234s [4] Carslaw, H.S., Jaeger, J.C., Conduction of Heat in Solids, 2nd Ed, Oxford Science Publ. (1951)</p>

SESSION: ManufacturingWedPM3-R10	3rd Intl. Symp.on Advanced Manufacturing for Sustainable Development
Wed. 30 Nov. 2022 / Room: Saitong
Session Chairs: Charalabos Doumanidis; Session Monitor: TBA

17:50: [ManufacturingWedPM313] OS
Generation of fine grain layers near frictional interfaces in metal forming processes.
Sergei Alexandrov¹ ; ¹Institute for Problems in Mechanics, Moscow, Russian Federation;
Paper Id: 184 [Abstract]

Narrow fine grain layers of material are often generated in the vicinity of frictional interfaces in manufacturing processes as a result of severe shear deformation. These layers change some surface properties of machine parts. The latter affects the performance of structures and machine parts under service conditions. Therefore, it is of importance to develop a method to connect parameters of manufacturing processes and parameters that characterize properties of fine grain layers generated by these processes. The strain rate intensity factor is the coefficient of the leading singular term in a series expansion of the equivalent strain rate in the vicinity of maximum friction surfaces. Such expansions are available for several material models that are often adopted to describe the response of material in metal forming processes. The objective of the present paper is to develop a general approach to use the strain rate intensity factor for predicting the evolution of material properties within the fine grain layers. The present paper includes a conceptual approach, experimental results on upsetting and drawing and a special numerical method for calculating the strain rate intensity factor. The latter is necessary since the strain rate intensity factor appears in singular solutions and conventional finite element methods are not capable of calculating this factor. The method proposed is based on the method of characteristics. Two criteria for the thickness of the fine grain layer are considered.

SESSION: EnergyMonAM-R11	Mauntz International Symposium (7th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, & storage for all energy production technologies; Energy conservation)
Mon. 28 Nov. 2022 / Room: Game
Session Chairs: Leendert Florusse; Session Monitor: TBA

11:30: [EnergyMonAM01] OS Plenary
Online Condition Monitoring of Engines by a Deep Analysis of the Electrical Conductivity and Relative Permittivity Changes of the Lubricant
Manfred Mauntz¹ ; Jorn Peuser¹ ; ¹cmc Instruments GmbH, Eschborn, Germany;
Paper Id: 119 [Abstract]

The requirements in the power generation with biogas, gas and diesel engines rise. Ever more flexibility at a maximum operational reliability and a long-life time are required of them at the same time, so the requirements for the oil and the oil condition monitoring grow correspondingly. This presentation provides information about an online oil condition monitoring system to give a solution to the mentioned priorities. The focus is set to the detection of contamination effects in contrast to oil changes in gearboxes where the additive degradation is the dominating effect. The online oil sensor system measures the components conductivity, the relative permittivity and the temperature independently from each other. Based on a very sensitive measurement method with high accuracy even small changes in the conductivity and dielectric constant of the oil composition can be detected reliably. The sensor system effectively controls the proper operation conditions of the engines and gearboxes instantaneously signals any kind of abnormal parameter change. The system enables damage prevention of the engine by an advanced warning time of critical operation conditions and an enhanced oil exchange interval realized by a precise measurement of the electrical conductivity, the relative permittivity and the oil temperature. The WearSens® Index (WSi) which has been successfully implemented in wind power gearbox applications is quite flexible and can be adjusted to the engine monitoring as well. The mathematical model of the WSi combines all measured values and its gradients in one single parameter for a comprehensive monitoring to prevent the asset from expensive damage. Furthermore, the WSi enables a long-term prognosis on the next oil change by 24/7 server data logging. Corrective procedures and/or maintenance can be carried out before actual damage occurs. Raw data and WSi results of a landfill gas engine installation is shown. Short-term and long-term analysis of the data show significant trends and events, which are discussed more in detail. 24/7 monitoring of the system during operation enables specific preventive and condition-based maintenance and independent of rigid inspection intervals.

References:
[1] Gegner, J., Kuipers, U. and Mauntz, M.: Ölsensorsystem zur Echtzeitzustands-überwachung von technischen Anlagen und Maschinen, Technisches Messen 77, pp. 283-292, (2010)

[2] Mauntz, M., Gegner J., Klingauf S. and Kuipers U.: Continuous Wear Measurement in Tribological Systems to Control Operational Wear Damage with a new Online Oil Sensor System, TAE Technische Akademie Esslingen, 19th International Colloquium Tribology, Esslingen, January 21-23, 2014, (2014)

[3] Mauntz, M., Kuipers, U. and Peuser, J.: Continuous, online detection of critical operation conditions and wear damage with a new oil condition monitoring system, WearSens®, 14th International Conference on Tribology - SERIATRIB ’15 Proceedings, Belgrad, Serbian Tribology Society Kragujevac, University of Belgrade, Faculty of Mechanical Engineering, Belgrade, ISBN: 978-86-7083-857-4, S. 283-288, (2015)

[4] Mauntz, M., Kuipers, U. and Peuser, J.: New oil condition monitoring system, WearSens® enables continuous, online detection of critical operating conditions and wear damage, Malaysian International Tribology Conference 2015 - MITC2015, Penang, Malaysia on November 16-17, 2015, Conference Proceedings, ISBN: <span class="fon_main_wrapper"><span phone-source="978-967-13625" class="fon-phone-wrap fon-hightlighted active-call" id="fon-phone-L2sMWeeiqh">978-967-13625</span><a phone-source="978-967-13625" href="#" class="fonCallLinkButton active-call"><img src="data:image/png;base64,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" alt="F"/></a></span>-0-1, S. 179-180, (2015)

11:55: [EnergyMonAM02] OS Plenary
REDESIGNING THE ELECTRICITY MARKET FOR RENEWABLE GENERATION
Leendert Florusse¹ ; ¹rooftop energy, rotterdam, Netherlands;
Paper Id: 105 [Abstract]

The electricity markets in Europe were designed with the aim of lowering energy supply costs and thus increasing the competitiveness of the European industry. The large electricity markets in the USA also operate to reduce over-all costs in a certain network area. In a market dominated by fossil fuel power plants such a market works. The classic merit order is made up of nuclear generation plants (marginal costs almost zero) via coal and gas fired assets up to oil or gas fired peaking plants (low efficiency, high marginal costs) for the high demand hours. Plants with very low marginal costs and little flexibility will bid at (close to) zero. They accept the price level set by others. Higher cost (flexible) plants will bid more in line with opportunity costs and try to optimize income over fewer load hours. Network capacity could keep pace with the growth of demand and generation because this growth was predictable and stable. Planning and building a large generation asset can take a decade. Today, the share of renewable generation in the generation mix is increasingly being felt. There are days in spring and summer on which Germany is completely supplied by solar and wind. This rapid change in the generation mix puts into question whether the current market design is still adequate. The current electricity market design is built on a few assumptions: 1. that the owners of a power plant do have marginal costs, 2. that the owners of a power plant can decide to run the plant or not, 3. that location (in the power network) is not very relevant. These effects are strengthened by the fact that in large areas power demand is not growing. The trend of energy efficiency will not be reversed. As a result of the above, (term) wholesale power prices have now become low and also little volatile. Price movements are limited because periods of oversupply of renewables are followed by periods of oversupply of fossil fueled power. The ‘lubricant’ of a market: price volatility has disappeared in the longer term markets and is only still there in the very short term markets.The other ‘new’ phenomenon is a shortage of network capacity. The planning and construction of power networks takes much longer that than planning and construction of (especially) solar PV assets. Also, the unplanned production pattern of renewable assets raises the question whether enough network capacity for all produced kWh’s has to be available at all times. Although the variable costs of solar and wind may be low, these sources are not at all for free. The lack of meaningful market prices is not only a problem for fossil power plants. It is definitely also an issue for solar and wind. We need new signals to drive investment and dispatch. Because CAPEX are so dominant in renewable generation, the risk is very ‘front-loaded’. No investor will put his money in a market where (marginal) prices are close to zero. In a CAPEX game, the investment risk will have to be allocated up-front. It is hard to see how generators will take this risk on the basis of a market in which marginal system cost are decreasing. Long term fixed pricing for the generation capacity will have to be agreed before the investment is made. What then has to be steered (through price signals) is the capacity to balance supply and demand. In other words, capacity to transport, store and deliver is much more important than the energy. Capacity is the real scarce resource. A market for capacity will have to be developed. What is meant here is not the capacity market advocated by power producers. It is not about back-up. What is meant here is the long term and short term pricing of capacity on the grid. This makes transparent where there is a scarcity of capacity and what is the value of linking supply to demand. If we can put such a system in place then the rational solution can be sought by all market players. The article elaborates how this can be done.

12:20: [EnergyMonAM03] OS
ONLINE CONDITION MONITORING OF GEARBOXES BY A DEEP ANALYSIS OF THE ELECTRICAL CONDUCTIVITY AND RELATIVE PERMITTIVITY CHANGES OF THE LUBRICANT
Manfred Mauntz¹ ; Jorn Peuser¹ ; ¹cmc Instruments GmbH, Eschborn, Germany;
Paper Id: 486 [Abstract]

A new oil sensor system is presented for the continuous, online measurement of the wear in industrial gears, turbines, generators, transformers and hydraulic systems. The detection of change is much earlier than existing technologies such as particle counting or vibration measurement. Thus, targeted, corrective procedures and/or maintenance can be carried out before actual damage occurs. Efficient machine utilization, accurately timed preventive maintenance, a reduction of downtime and an increased service life can all be achieved. The oil sensor system measures the components of the complex impedances X of the oils, in particular the electrical conductivity, the relative dielectric constant and the oil temperature. Inorganic compounds occur at contact surfaces from the wear of parts, broken oil molecules, acids or oil soaps. These all lead to an increase in the electrical conductivity, which correlates directly with the wear. In oils containing additives, changes in dielectric constant infer the chemical breakdown of additives. A reduction in the lubricating ability of the oils, the determination of impurities, the continuous evaluation of the wear of bearings and gears and the oil aging all together follow the holistic approach of real-time monitoring of changes in the oil-machine system. By long-term monitoring and continuous analysis of the oil quality, it is possible to identify the optimal time interval of the next oil exchange – condition based.

References:
[1] Gegner, J., Kuipers, U. and Mauntz, M.: Ölsensorsystem zur Echtzeit-Zustandsüberwachung von technischen Anlagen und Maschinen, Technisches Messen 77, pp. 283-292, (2010)
[2] Mauntz, M., Gegner J., Klingauf S. and Kuipers U.: Continuous Wear Measurement in Tribological Systems to Control Operational Wear Damage with a new Online Oil Sensor System, TAE Technische Akademie Esslingen, 19th International Colloquium Tribology, Esslingen, January 21-23, 2014, (2014)
[3] Mauntz, M., Kuipers, U. and Peuser, J,: Continuous, online detection of critical operation conditions and wear damage with a new oil condition monitoring system, WearSens®, 14th International Conference on Tribology - SERIATRIB ’15 Proceedings, Belgrad, Serbian Tribology Society Kragujevac, University of Belgrade, Faculty of Mechanical Engineering, Belgrade, ISBN: 978-86-7083-857-4, S. 283-288, (2015)
[4] Mauntz, M., Kuipers, U. and Peuser, J.: New oil condition monitoring system, WearSens® enables continuous, online detection of critical operating conditions and wear damage, Malaysian International Tribology Conference 2015 - MITC2015, Penang, Malaysia on November 16-17, 2015, Conference Proceedings, ISBN: <span class="fon_main_wrapper"><span phone-source="978-967-13625" class="fon-phone-wrap fon-hightlighted active-call" id="fon-phone-3O8aWYjg4T">978-967-13625</span><a phone-source="978-967-13625" href="#" class="fonCallLinkButton active-call"><img src="data:image/png;base64,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" alt="F"/></a></span>-0-1, S. 179-180, (2015)

12:45: [EnergyMonAM04] OS
Deep online analysis of dielectric parameters of insulation oils: Identification of critical operation conditions of high voltage transformers for reduction of failure rates
Manfred Mauntz¹ ; Jorn Peuser¹ ; ¹cmc Instruments GmbH, Eschborn, Germany;
Paper Id: 487 [Abstract]

The requirements for renewable energy for high voltage transformers and large industrial gearboxes as installed in wind turbines on-/offshore rise. Ever more flexibility at maximum operational reliability and a long lifetime is required of them at the same time, so the requirements for the oil and the oil condition monitoring grow correspondingly. This presentation provides information about a novel online oil condition monitoring system to give a solution to the mentioned priorities for both energy sectors. The focus is set to high voltage transformers but the possibilities in monitoring applications of lubrication oils in hybrid applications (electrical vehicles) are also addressed. The online oil sensor system measures the conductivity kappa, the relative permittivity epsilon r and the temperature T independently from each other. Based on a very sensitive measurement method with high accuracy, even small changes in the conductivity and dielectric constant of the oil composition can be detected reliably. The new sensor system effectively controls the proper operating conditions of high-voltage transformers, industrial gearboxes and in test rigs for electrical vehicles, where lubrication and isolation of the oil have a double function. The system enables damage prevention of the high voltage transformer by an advanced warning time of critical operation conditions and parameter trending realized by a precise measurement of the electrical conductivity, the relative permittivity, loss factor tan delta and oil temperature based on a high time resolution. Corrective procedures and/or maintenance can be carried out before actual damage occurs. Once the oil condition monitoring sensor systems are installed on the high voltage transformer or an oil regeneration plant, the measured data can be displayed and evaluated elsewhere in sense of a full online condition monitoring system. 24/7 monitoring of the system during operation enables specific preventive and condition-based maintenance independent of rigid inspection intervals.

References:
[1] P. Tchakoua, R. Wamkeue, M. Ouhrouche, F.S. Hasnaoui, T.A. Tameghe, G. Ekemb: Wind Turbine Condition Monitoring: State-of-the-Art Review, New Trends, and Future Challenges, Energies 2014,7, pp. 2595-2630, (2014).
[2] M. Mauntz and U. Kuipers: Ölsensorsystem- Sensorsystem zur Messung von Komponenten der komplexen Impedanz elektrisch gering leitender und nichtleitender Fluide, dessen Realisierung und Anwendung, patent application no. 10 <span class="fon_main_wrapper"><span phone-source="2008 047 366" class="fon-phone-wrap fon-hightlighted active-call" id="fon-phone-UNoowb0V6l">2008 047 366</span><a phone-source="2008 047 366" href="#" class="fonCallLinkButton active-call"><img src="data:image/png;base64,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" alt="F"/></a></span>.9, German Patent Office, Munich, (2008).
[3] M. Mauntz and U. Kuipers: Verfahren, Schaltungsanordnung, Sensor zur Messung physikalischer Größen in Fluiden sowie deren Verwendung, European patent application no. EP 09000244, European Patent Office, Munich, (2009).
[4] M. Mauntz, J. Gegner and U. Kuipers: Ölsensorsystem zur Echtzeit-Zustandsüberwachung von technischen Anlagen und Maschinen, Technisches Messen 77, pp. 283-292, (2010).

SESSION: EnergyMonPM1-R11	Mauntz International Symposium (7th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, & storage for all energy production technologies; Energy conservation)
Mon. 28 Nov. 2022 / Room: Game
Session Chairs: Manfred Mauntz; Session Monitor: TBA

14:00: [EnergyMonPM105] OL Plenary
PREDICTIVE MAINTENANCE MANAGEMENT SYSTEM FOR PRODUCTION-, PROCESS- AND THE ENERGY INDUSTRY
Tamer Turna¹ ; ¹BLOOM ENERGY CORPORATION, CA, United States;
Paper Id: 100 [Abstract]

Predictive maintenance evaluates the condition of equipment by performing periodic (offline) or preferably continuous (online) equipment condition monitoring. The ultimate goal of the approach is to perform maintenance at a scheduled point in time when the maintenance activity is most cost-effective and before the equipment loses performance within a threshold. This results in a reduction in unplanned downtime costs because of failure where for instance costs can be in the hundreds of thousands per day depending on industry. In energy production in addition to loss of revenue and component costs, fines can be levied for none delivery increasing costs even further. This is in contrast to time- and/or operation count-based maintenance, where a piece of equipment gets maintained whether it needs it or not. Time-based maintenance is labor intensive, ineffective in identifying problems that develop between scheduled inspections, and so is not cost-effective. The fundamental idea is to transform the traditional ‘fail and fix’ maintenance practice to a ‘predict and prevent’ approach. The "predictive" component of predictive maintenance stems from the goal of predicting the future trend of the equipment's condition. This approach uses principles of statistical process control to determine at what point in the future maintenance activities will be appropriate. Most predictive inspections are performed while equipment is in service, thereby minimizing disruption of normal system operations. Adoption of predictive maintenance can result in substantial cost savings and higher system reliability. Reliability-centered maintenance emphasizes the use of predictive maintenance techniques in addition to traditional preventive measures. When properly implemented, it provides companies with a tool for achieving lowest asset net present costs for a given level of performance and risk. One goal is to transfer the predictive maintenance data to a computerized maintenance management system so that the equipment condition data is sent to the right equipment object to trigger maintenance planning, work order execution, and reporting. By doing so the OPEX and CAPEX saving feature of predictive maintenance solution value is accelerated. This paper and its attachments provide an insight of how the products of as an example cmc Instruments GmbH and others, help users to achieve their goals in setting up real and beneficiary PREDICTIVE MAINTENANCE MANAGEMENT SYSTEMS.

References:
(1) 30 years energy and industry market experience of Dr.-Ing. Tamer Turna
(2) Early failure detection of gearbox components based on the electrical response of the lubricating oil to chemical aging and contamination publication date Oct 7, 2013 by Prof.Dr.-Ing. Manfred Mauntz.
(3) Identification of critical operating conditions to avoid premature failure of gearbox components due to early detection of the associated aging of lubricating oil
publication date 2013 by Prof.Dr.-Ing. Manfred Mauntz.
(4) Kontinuierliche Erkennung und Regelung des Verschleißes in Tribosystemen mit dem neuen Online-Ölzustandsüberwachungssystem OilQSens® publication date 2012 by Prof.Dr.-Ing. Manfred Mauntz.

14:25: [EnergyMonPM106] OL
Mobile ‘Floating Or Trailer’ Type Power Generation Technologies – The Fast Solution To Lower Carbon Footprint
Tamer Turna¹ ; ¹BLOOM ENERGY CORPORATION, CA, United States;
Paper Id: 108 [Abstract]

VUCA (volatility, uncertainty, complexity and ambiguity) conditions are emerging all over the world and in sort of forms. Such conditions emerge in recent years primarily triggered due to the fact of anthropogenic climate change, affecting the weather conditions with severe hits in form of hurricanes, typhoons, sudden appearing devastating microclimate occurrence or similar. Earthquakes, volcano eruptions form also VUCA conditions. The COVID-19 pandemic hit global economies the recent years and will for sure prevent governments from their regular infrastructure planning and implementation works. Wars, causing distractions in raw material supply chains show similar results. In the opposite sometimes VUCA conditions appear due to a sudden vectoral change in a positive direction. Despite the technological and political progress of humankind in form of communication and information access (i.e. internet), sustainable production (industrial, farming), digitalization, civil rights etc. VUCA conditions prevail and make emergency solutions essential. Emergency solutions tend to be more and more demanded by markets and governments, even leading to be used as mid-term and long-term solutions meeting the needs of consumers. This paper will introduce the vectors leading to emergency conditions and needs in the power generation sphere and provide an insight on medium to large size powerships and powertrailers, while addressing major power generation trends such as renewable energy and storage technologies and their recent markets gains.

References:
1) 30 years power generation, oil&gas, process industry market experience of Dr.-Ing.Tamer Turna.

14:50: [EnergyMonPM107] OL
Solid Oxide Fuel Cells, A Highly Efficient and Sustainable Electricity Generation Technology
Tamer Turna¹ ; ¹BLOOM ENERGY CORPORATION, CA, United States;
Paper Id: 410 [Abstract]

Fuel cells are seen as the efficiency technology of the future. The idea behind it is more than 180 years old: hydrogen plus oxygen generate electricity and heat. What now enables particularly efficient powering and heating, was used many years ago already in space - and now also in power generation, cogeneration, tri-generation and quadrant (plants with CO2 segregation for the beverage industry), transportation (cars, trucks and trains) and aviation. This paper will highlight the basics of fuel cell technology and explain the use of ready for the market technologies

15:15: [EnergyMonPM108] OL
Solid Oxide Electrolyzer Cells, A Highly Efficient and Sustainable Hydrogen Generation Technology
Tamer Turna¹ ; ¹BLOOM ENERGY CORPORATION, CA, United States;
Paper Id: 411 [Abstract]

A solid oxide electrolyzer cell (SOEC) is a solid oxide fuel cell that runs in regenerative mode to achieve the electrolysis of water by using a solid oxide, or ceramic, electrolyte to produce hydrogen gas. The production of pure hydrogen is compelling because it is a clean fuel that can be stored, making it a potential alternative to batteries, methane, and other energy sources. Electrolysis is currently the most promising method of hydrogen production from water due to high efficiency of conversion and relatively low required energy input when compared to thermochemical and photocatalytic methods. The leveraged cost of hydrogen (LCOH) is the lowest with SOEC. Carrier and storage forms of hydrogen such as; green ammonia, medium pressure hydrogen gas, high pressure hydrogen gas, liquified hydrogen systems are easy to adopt. This paper will highlight the basics of electrolyzer cell technology and explain the use of ready for the market technologies.

SESSION: EnergyMonPM2-R11	Mauntz International Symposium (7th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, & storage for all energy production technologies; Energy conservation)
Mon. 28 Nov. 2022 / Room: Game
Session Chairs: Leo Eskin; Session Monitor: TBA

15:55: [EnergyMonPM209] OS
The First Process-Oriented Instrument for the Analysis of Ultra-Trace Level Permanent Gases, NMHC and Sulfur in Fuel-Grade Hydrogen
Manfred Mauntz¹ ; Jorn Peuser¹ ; Yves Gamache² ; André Lamontagne² ; Marc-antoine Langevin² ; ¹cmc Instruments GmbH, Eschborn, Germany; ²ASDevices, Thetford, Canada;
Paper Id: 488 [Abstract]

Hydrogen fuel cells are among the most promising devices for powering vehicles and are expected to soon become a major technology that will help us reduce greenhouse gas emission. In order to provide hydrogen to vehicles, a robust process-oriented analytical solution is required to properly certify its quality. ASDevices have spent the last 4 years developing a complete portfolio of technology for this very application. Over the past years, ASDevices established itself as the experts in process-oriented ultra-trace analysis of permanent gases and NMHC in various matrices, including hydrogen. For sulfur analysis, detectors such as Sulfur Chemiluminescence Detectors (SCD) or Pulsed Flame Photometric Detectors (PFPD) have been traditionally used. However, due to their complexity, need for maintenance and use of hazardous gases such as ozone, these instruments are not adapted for continuous process monitoring and are limited to laboratory testing. More recently, ASDevices developed a robust method for the measurement of sulfur compounds using the Epd technology in combination with the iMov GC platform without the need of a sample concentrator. Thanks to the high sensitivity of the Epd technology, sub-ppb level limits of detection have been achieved for the permanent gases, NMHC and sulfur compounds. Therefore, an explosionproof version of the iMov GC platform was designed and was configured to combine these analyzes, making it the first process-oriented instrument combining the analysis of permanent gases, NMHC and sulfur compounds in fuel-grade hydrogen. The presentation will cover the various technologies and the results obtained from ASDevices solution which was installed at the Sinopec Yanshan plants that will generate H2 for the 2022 winter Olympics.

References:
[1] James G. Speight. Synthesis Gas and the Fischer-Tropsch Process, The Refinery of the Future (Second Edition), 2020.
[2] National Renewable Energy Laboratory. Blending Hydrogen into Natural Gas Pipeline Networks: A Review of Key Issues, 2013.
[3] US Department of Energy. Hydrogen Fuel Quality Specifications for Fuel Cells in Road Vehicles, 2016.
[4] Alberta Environment. Assessment Report on Reduced Sulfur Compounds for Developing Ambient Air Quality Objectives, 2004.
[5] WHO. Hydrogen sulfide. Environmental health criteria No. 19, WHO, Geneva, 1981.
[6] International Society of Beverage Technologists. Carbon Dioxide Quality Guidelines, Food Safety Magazine, 2000.
[7] A. S. Brown, et al. Methods for the Analysis of Trace-Level Contaminants in Hydrogen for Fuel Cells Applications, NPL Reports AS 64, 2011.
[8] R. L. Shearer. Development of Flameless Sulfur Chemiluminescence Detection: Application to Gas Chromatography, Anal. Chem., 1992, 64, 2192-2196
[9] Chromedia Analytical Sciences. FPD : Flame Photometric Detector, accessed January 2022.
[10] ASDevices. AN-09 – Trace-Level Measurement of Sulfur-Based Compounds in Hydrogen with the Epd Technology, 2019.
[11] ASDevices. AN-15 – Trace Sulfur in H2 Analysis Without SCD, FPD and Thermal Desorber, A Process GC Solution – KA8000plus Sulfurs in Fuel-Grade H2 Test Report, 2020.
[12] C. Xu et al. Analytical Progress of Trace Impurities in Hydrogen for Fuel Cell Vehicles, Chem. Ind. Eng. Prog., 2021, 40 (2), 688-702.
[13] ASDevices. AN-08 – PLSV Technology – A Quantum Leap for Chromatographic Valves, 2019.
[14] ASDevices. AN-10 – PLSV Improved Valve Technology for Ultra-trace Sulfur Analysis, 2019.
[15] ASDevices. AN-13 – PLSV Pressure Drop Dead Volume: PLSV Against Diaphragm Valve, 2020.
[16] ASDevices. TN-05 – The Power of Spectral Compensation for Fast Nitrogen Measurement in Oxygen with the Enhanced Plasma Discharge Technology, 2019.
[17] Thermo Fisher Scientific. Choosing the Ideal Ferrule for your GC Application, 2012.

16:20: [EnergyMonPM210] OS Plenary
Using Physics-Based Modeling (Digital Twin) Methods and Machine Learning to Improve Energy Efficiency and Reduce Maintenance for the Global Cold Chain
Leo Eskin¹ ; Harvey Rubin² ; Bhaskar Abhiraman³ ; Riley Fotis⁴ ; ¹Snofox Sciences, Inc., Darnestown, United States; ²Perelman School of Medicine, University of Pennsylvania, Philadelphia, United States; ³School of Engineering and Applied Science, University of Pennsylvania, Morristown, United States; ⁴Department of Physics, University of Pennsylvania, Philadelphia, United States;
Paper Id: 437 [Abstract]

The global refrigeration industry (cold chain) encompasses a wide range of disciplines, including the food sector, where temperature-controlled warehouses, trucks and shipping containers maintain food safety, and the healthcare industry, where refrigeration preserves medicines and pharmaceuticals, including vaccines. It is estimated that the refrigeration sector consumes approximately seventeen percent of the global electricity production [1] and this is expected to grow in the coming years due to global warming. Significant performance enhancements, reduction in energy consumption and greenhouse gas emission, and improved maintenance intervals can be achieved by using physics-based thermodynamic modeling methods [2-5] to develop a digital twin for a range of industrial refrigeration systems. Implementations have been demonstrated for stand-alone, single-loop commercial vapor compression refrigeration systems (refrigerators or commercial cooling units) and for multi-loop, multi-compressor industrial refrigeration systems used in temperature-controlled warehouses up to several hundred thousand square feet in size. Such digital twins enable real-time performance monitoring by computing mass- and energy-balances using measured data, and the calculated results can be trended and used by machine learning algorithms to identify common equipment failures and alert personnel to operational problems. Examples are presented illustrating how the trended calculated results enable root-cause identification of a 40+% cooling capacity reduction, and a machine learning algorithm is presented demonstrating highly (98+%) accurate identification of the eight most common refrigeration system failure modes.

References:
[1] International Institute of Refrigeration, 29th Informatory Note on Refrigeration Technologies, November 2015.
[2] EBSILON®Professional heat balance software by STEAG Energy Services GmbH, Germany, www.ebsilon.com
[3] C. P. Underwood, Seventh International IBPSA Conference (2001).
[4] B. P. Rasmussen, C. Price, J. Koeln, B. Keating, A. Alleyne, Advances in Industrial Control, no. 9783319684611 (2018).
[5] I. Saidi, A. Hammami, D. Soudani, Proceedings: confe ́rence international des e ́nergies renouvelables (Sousse, Tunisia, 2017).

16:45: [EnergyMonPM211] OS
Effect of Substrate Concentration on Biohydrogen Production by Clostridium manihotivorum CT4 in Batch Culture
⁰ ;⁰ ; Warinthorn Songkasiri¹ ; ¹National Center for Genetic Engineering and Biotechnology (BIOTEC), National Science and Technology Development Agency (NSTDA), Pathum Thani, Thailand;
Paper Id: 468 [Abstract]

Biohydrogen has the potential to replace current hydrogen production technologies relying heavily on fossil fuels [1]. Dark fermentation has an excellent capability for evolution as a practical biohydrogen production because of high hydrogen yields [2]. The substrate concentration is one significant factor in hydrogen production. This study examined substrate concentration's influence on fermentative hydrogen production by Clostridium manihotivorum CT4. This microorganism was isolated from the cassava pulp, solid waste of the cassava starch factory [3]. Experiments were conducted in batch tests using glucose as a substrate varying between 0 to 25 g/L at 37 ºC and an initial pH of 7.0. Experimental results showed that during dark fermentation, the hydrogen production potential and hydrogen production rate increased following the increase in substrate concentration between 0 to 25 g/L glucose. In our batch assays, the lower glucose concentration that provided the highest hydrogen production yield and substrate degradation efficiency was 41.5 mL/g glucose and 96.2%, respectively, at the substrate concentration of 5 g/L glucose due to lower substrate concentration diminishes volatile fatty acids (VFAs) concentrations and further affecting the hydrogen production yield. An increase in the initial substrate concentration supplemented in this experiment caused a reduction in substrate utilization rate and hydrogen production yield. Because of the higher glucose concentration might have the accumulation of the products from glucose utilization, such as VFAs, causing the pH to drop to lower than 5.5 in the culture to become acidic and unsuitable for microbial growth [4]. These results will be useful for optimizing the substrate concentration and controlling the fermentative biohydrogen production process by using C. manihotivorum CT4 directly from glucose under these conditions.

References:
[1] L. Singh, Z.A. Wahid. J Ind Eng Chem. 21 (2015) 70-80.\n[2] P.C. Hallenbeck, D. Ghosh. Trends Biotechnol. 27 (2009) 287-297\n[3] P. Cheawchanlertfa, S. Sutheeworapong, P. Jenjaroenpun, T. Wongsurawat, I. Nookaew, S. Cheevadhanarak. PeerJ. 8 (2020) 1-28.\n[4] D. Levin, R. Islam, N. Cicek, R. Sparling. Int. J. Hydrog. Energy. 31 (2006) 1496-1503.

17:10: [EnergyMonPM212] OS
Some of the Basic Aspects of Transition State Theory (TST) of Bimolecular Reaction Rates Revisited with an Input From Nonequilibrium Thermodynamics
Anil A. Bhalekar¹ ; Bjarne Andresen² ; ¹Department of Chemistry, R. T. M. Nagpur University, NAGPUR, India; ²University of Copenhagen, COPENHAGEN, Denmark;
Paper Id: 133 [Abstract]

In view of the prevailing over skepticism about the sound thermodynamic base of the expression of the rate constant given by the traditional transition state theory (TST) of bimolecular reactions, its foundational ingredients are revisited in this paper. The inference drawn earlier of the existence of <i><i>quasiequilibrium</i></i> between the reactants and activated complexes has been properly amended. The need for this has been elucidated by showing that the use of <i>quasiequilibrium</i> amounts to use it as a pre-equilibrium step hence it implies that the conversion of activated complexes to the product molecules must be a slow step according to the basic principles of chemical kinetics. However, it has been demonstrated that the existence time of an activated complex is less than the time required to complete half of the molecular vibration of the activated complex. Which means they are highly reactive ones. Therefore, it is not the case of <i>pre-equilibrium </i>but, indeed, is the case of a steady state for the forward moving activated complexes, which is what Arnot had advocated earlier. However, we have demonstrated that the said steady state for the concentration of the forward moving activated complexes is a case of <i>dynamic chemical equilibrium</i> between the reactants and the forward moving activated complexes whose sound thermodynamic base has been elucidated by describing the corresponding nonequilibrium thermodynamics. Thus, the much-needed description of the thermodynamic base of TST given expression of the rate constant has been accomplished.

References:
<b>Bibliography</b>\n1. A. A. Bhalekar, Nonequilibrium thermodynamics of dynamic chemical equilibria, (Preceding Paper) (2020)\n2. H. Eyring, Activated Complex in Chemical Reactions, <i>J. Chem. Phys.</i>, 3, 107-115 (1935).\n3. M. G. Evans and M. Polanyi, Some applications of the transition state method to the calculation of reaction velocities, especially in solution, <i>Trans. Faraday Soc.</i>, 31, 875-894 (1935)\n4. S. Glasstone, K. J. Laidler, and H. Eyring, <i>Theory of Rate Processes</i>, McGraw-Hill, New York, 1941\n5. K. J. Laidler and J. C. Polanyi, <i>Theories of the Kinetics of Bimolecular Reactions</i>, Vol 3, of <i>Progress in Reaction Kinetics</i>, ch. 1, Pergomon Press, London, 1965\n6. K. J. Laidler and M. C. King, The development of transition-state theory, <i>J. Phys. Chem.</i>, 87, 2657-2664 (1983)\n7. C. L. Arnot, Activated complex theory of bimolecular gas reactions, <i>J. Chem. Educ.</i>, 49, 480-482 (1972)\n8. I. Prigogine and R. Defay, <i>Chemical Thermodynamics</i>, D. H. Everett, Transl., Longmans-Green, London, 1954\n9. A. A. Bhalekar, The transition state theory of bimolecular reaction rates via the Bodenstein steady state for activated complexes, <i>CACAA</i>, 4, 309-340 (2015)

SESSION: EnergyMonPM3-R11	Mauntz International Symposium (7th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, & storage for all energy production technologies; Energy conservation)
Mon. 28 Nov. 2022 / Room: Game
Session Chairs: Greg Baiden; Session Monitor: TBA

17:50: [EnergyMonPM313] OS
A Revisit to the Local Thermodynamic Equilibrium Assumption of Nonequilibrium Thermodynamics
Anil A. Bhalekar¹ ; Bjarne Andresen² ; ¹Department of Chemistry, R. T. M. Nagpur University, NAGPUR, India; ²University of Copenhagen, COPENHAGEN, Denmark;
Paper Id: 175 [Abstract]

The global level thermodynamic comprehension of the local thermodynamic equilibrium assumption of nonequilibrium thermodynamics is presented. How the Gibbs relation given by equilibrium thermodynamics also describes a passage on an irreversible path is demonstrated at the global thermodynamic level. Specifically it has been demonstrated that the Gibbs relation indeed also takes care of irreversibility for a spatially uniform system with internal source of irreversibility for example the chemical reactions at non-vanishing rates and the irreversibility originating in the gradients of intensities across the boundary of the system. Hence, thermodynamic functions appearing in Gibbs relation are those for equilibrium and nonequilibrium states. The former is the case when it is used to describe a passage through the succession of equilibrium states and the latter is the case while describing the the passage through the succession of nonequilibrium states, i.e. on irreversible trajectories. Thereby, it gets demonstrated that the scope of validity of the local thermodynamic equilibrium assumption of nonequilibrium thermodynamics is much wider than it has been understood so far.

References:
Bibliography:\n[1] S. R. De Groot and P. Mazur, Non-Equilibrium Thermodynamics. Amsterdam: North Holland, 1962.\n[2] R. Clausius, The Mechanical Theory of Heat. London: Macmillan & Co., 1879. Translated by W. R. Browne.\n[3] H. A. Bumstead and R. G. V. Name, eds., The Scientific Papers of J. Willard Gibbs, vol. I. Thermodynamics. London and Bombay: Longmas, Green and Company, 1906.\n[5] J. N. Brønsted, “On the concept of heat,” Det. Kgl. Danske Videnskab. Seleskab. Math-Fys. Medd., vol. 19(8) (1941) 1 – 79.\n[6] I. Prigogine and R. Defay, Chemical Thermodynamics. London: Longmans Green, 1954. Translated by D. H. Everett.\n[7] B. C. Eu, “Form of uncompensated heat giving rise to a pfaffian differential form in thermodynamic space,” Phys. Rev. E, 51 (1995) 768 – 771.\n[8] A. A. Bhalekar, “Irreversible thermodynamic framework using compatible equations from thermodynamics and fluid dynamics. A second route to generalized phenomenological irreversible thermodynamic theory (GPITT),” Bull. Cal. Math. Soc., 94(2) (2002) 209 – 224. \nNote: This abstract is dedicated to Prof. Ferid Murad, Nobel Laureate in Medicine and the Symbol of Unified Science.

18:15: [EnergyMonPM314] OL
META Industrial Operations in Industry 4.0 with ROAR as an Underground Mining Example
Greg Baiden¹ ; ¹Penguin Automated Systems Inc., Naughton, Canada;
Paper Id: 360 [Abstract]

Industrial systems such as mining, agriculture and manufacturing operations have be through several revolutions in history. These have included: human and animal powered, mechanization, automation and now are moving to smart/intelligent systems. This new revolution has been characterized as Industry 4.0. Industry 4.0 in turn is powered by the Internet of Things through new technologies such as networking, smart sensors, robots and artificial intelligence. The integration of these technologies together will result in a new style of industrial operation based on data models of the physical process being operated. For example, precise geo-representative information that digitally twins reality will allow a “virtual” machine operator to run very dangerous real processes within meta-models that create a virtual world without exposure to the hazard to the operator. The teleoperation and automation of mobile mining machines and systems was experimented with at INCO Limited as early as 1986 with the Future ORE Manufacturing (FOREMAN) project. This was further advanced in the 1990 and 2000s with the “Mine Automation Program” or MAP in Canada and the “Intelligent Mine Program” in Scandinavia. The concept of these projects was the total operation of the mine from a surface control room. The objectives of these projects were to remove humans from the potentially dangerous mining environment to improve safety. To accomplish this goal: no equipment operators should travel into the underground environment. Secondary goals were the elimination of travel time and increased productivity. One machine operator running from a surface control room and subsequently one operator running several machines was further accomplished. The MAP work done included a pilot scale mine, 175 Orebody, with robotized mining equipment and consumables (such as explosives, drill bits and more) tailored to the accomplishment of the process. At the core of the work, each piece of mobile equipment was fitted with computer controllers, sensors, actuators, networking equipment to robotize it. A broadband radio network was developed and installed throughout the mine that was linked to control stations that emulated cockpits of the mining machines. Machine control being transferred over the network. The accomplishment of this scenario was due to meeting the critical objectives of: large scale data transfer capacity and the near zero latency of the information transfer. The unique radio characteristics of being underground created the ability to use wireless control systems that consumed the entire radio frequency spectrum. The first steps included the teleoperation of mining equipment using radio modems, then moving to large scale Ethernet networks based on broadband radio networking using a system equivalent to today’s 5G. As mining automation continues to evolve towards full industrial application in mining, the next technology steps of Meta-Mining began. In 2012, the extremely challenging problem of removing humans from the task of rock blockage removal was started. These systems required the full implementation of Industry 4.0 technology with virtual operation using meta models of the mining problem to keep operators safe. The Robotic Hang-up Assessment and Removal System (ROAR) was conceived and developed. ROAR was to provide a human/machine system to assess and remove potentially dangerous rocks that currently threaten the life of a miner in its removal process. ROAR required the use of most advanced technologies, Industry 4.0, available. These included advanced newly patented optical communication, IoT, cloud computing utilizing gaming software, precision positioning, robotics and artificial intelligence. The ROAR platform and infrastructure now exists and has been developed and implemented. This paper discusses the design, building and implementation of ROAR as the first Industry 4.0 device for mining, the implications of ROAR for Mining and Agriculture and future applications. The accomplishment of ROAR will have implications for the current technical and operational thinking in the future of Industry 4.0 that include operational strategies that will use Virtual Reality to enhance situational awareness in future META-Mining and META-Agricultural implementations terrestrially and in space.

SESSION: EnergyTueAM-R11	Mauntz International Symposium (7th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, & storage for all energy production technologies; Energy conservation)
Tue. 29 Nov. 2022 / Room: Game
Session Chairs: Hussein Hoteit; Session Monitor: TBA

11:30: [EnergyTueAM01] OL
Determining Root Causes for Resource-Adequacy Blackouts on North American Electric Grids
Meredith Angwin¹ ; ¹Carnot Communications, Wilder, United States;
Paper Id: 249 [Abstract]

In recent years, grid operators in Texas, California and the Midwest “shed load,” that is, forced many of their customers to a blacked-out (no electricity available) condition. These blackouts occurred when the grid’s power plants cannot supply enough electricity to match the demand on the grid. This paper describes the root cause of many of these blackouts, including the incentive system of power plant payments, the role of renewables in increasing the fragility of the grid, and the rules for dispatch on the grid.[1] The Regional Transmission Organization (RTO) grids in New England and Texas are the main focus of the paper. These areas are also called the “Deregulated” areas, though that is a misnomer, since they are highly regulated, but not in the manner that most utilities were regulated before 1990. For the analysis paper, data was collected from the grid operator websites [2], from trade publication analysis, and from academic analysis [3]. The conclusion is that rules and incentives in RTO areas actively discourage investments in reliability. The RTO areas encourage the “fatal trifecta” of over-reliance on intermittent renewables, just-in-time delivery of natural gas, and hoped-for imports from neighboring grids. These changes make a grid more fragile, and are root cause of most of the recent blackouts

References:
[1] Angwin, Meredith, Shorting the Grid, The Hidden Fragility of Our Electric Grid, Carnot Communications, 2020

[2] Chadalavada, Vamsi, “Cold Weather Operations, ISO-NE, December 2017- January 8, 2018,” Issued January 16, 2018. https://www.iso-ne.com/static-assets/documents/2018/01/20180112_cold_weather_ops_npc.pdf

[3] Kavulla, Travis, “There is No Free Market for Electricity, Can There Ever Be?” https://americanaffairsjournal.org/2017/05/no-free-market-electricity-can-ever/
This article originally appeared in American Affairs Volume I, Number 2 (Summer 2017): 126–50.

11:55: [EnergyTueAM02] OS
NONEQUILIBRIUM THERMODYNAMICS OF DYNAMIC CHEMICAL EQUILIBRIA
Anil A. Bhalekar¹ ; ¹Department of Chemistry, R. T. M. Nagpur University, NAGPUR, India;
Paper Id: 132 [Abstract]

This presentation for the first time discusses the nonequilibrium thermodynamics of dynamic chemical equilibrium in a wide number of chemical reactions. They include two-step consecutive reactions and multi-step chain reactions. From chemical kinetics we learn that the dynamic chemical equilibria get established when there are (i) fast pre-equilibrium steps or (ii) produced highly reactive intermediate chemical species during the course of a reaction and for their concentrations the Bodenstein steady state approximation gets established. There result <i>Q</i>'s, the quotients of concentration, as <i>f(T, p)</i> which generates stoichiometric equivalence of chemical potentials of the chemical species involved therein. In some cases one or more chemical affinities, <i>A</i> 's, of the steps involved in the reaction vanish but it is not true in all cases. Irrespective of vanishing or non-vanishing of <i>A</i> 's of the involved steps one still can use corresponding standard thermodynamic relation between corresponding dynamic equilibrium constant and the corresponding standard state chemical affinity, which is the thermodynamic condition of dynamic chemical equilibrium, corresponding chemical affinities are (i) that of some steps and they assume a zero value or (ii) when none of chemical affinities of the steps of the reaction vanish but one or more internal chemical affinities, become equal to zero. Also in such cases the <i>Q(T,p)</i> 's can be equally calculated using the volume independent partition functions, <i>q</i>_k^* 's, and the Avogadro number <i>L</i>. A thermodynamic condition of explosion in a chemical reaction gets described by the attainment of very large, positive or negative, values of chemical affinities of the steps involved.

References:
<b>Bibliography</b>\n1. I. Prigogine, <i>Introduction to Thermodynamics of Irreveersible Processes</i>, John Wiley-Interscience, New York, 1967\n2. S. R. De Groot and P. Mazur, <i>Non-Equilibrium Thermodynamics</i>, North Holland, Amsterdam, 1962\n3. R. P. Rastogi, <i>Introduction to Non-equilibrium Physical Chemistry. Towards Complexity and Non-linear Sciences</i>, Elsevier, Amsterdam, 2008\n4. G. N. Lewis and M. Randall, <i>Thermodynamics</i>, Second Edition, McGraw-Hill Book Co., Inc., 1961. Revised by K. S. Pitzer and L. Brewer\n5. A. A. Frost and R. G. Pearson, <i>Kinetics and Mechanism</i>, Second Edition, John Wiley and & Sons Inc., London, 1961\n6. K. J. Laidler, <i>Chemical Kinetics</i>, Tata McGraw-Hill, New Delhi, 1967\n7. R. Schmid and V. N. Sapunov, <i>Non-Formal Kinetics</i>, Verlag Chemie GmbH, Weinheim, 1982\n8. T. L. Hill, <i>An Introduction to Statistical Thermodynamics</i>, First Edition, Addison-Wesley Publishing Company, INC., Reading, MA, 1960\n9. K. J. Laidler and M. T. H. Liu, The mechanism of the acetaldehyde pyrolysis, <i>Proc. Royal Soc. London A</i>, 297, 365-375 (1967)

12:20: [EnergyTueAM03] OS
Sustainable Oil Industry Development With Carbon-Constrained Economy in Saudi Arabia
Hussein Hoteit¹ ; ¹King Abdullah University of Science & Technology (KAUST), Thuwal, Saudi Arabia;
Paper Id: 156 [Abstract]

The ongoing accumulation of greenhouse gas (GHG) concentrations in the atmosphere from various anthropogenic sources is believed to be the primary cause of the increasing earth's surface temperature. CO2 is the most significant GHG where the top anthropogenic sources of CO2 emissions are related to electricity generation and stationery industry sectors powered by fossil fuels. Among other technologies, carbon capture, utilization, and storage (CCUS) is expected to play a key role in addressing the GHG emission challenges. Since the early days of the oil and gas industry, CO2 injection in oilfields has been recognized to be an effective method for enhanced oil recovery (EOR). However, the worldwide CO2-EOR implementations remain modest. In this talk, the 50-year history of CO2-EOR is reviewed, where we highlight the key attributes of successes and failures. The recovery benefits and the challenges of CO2-EOR in relation to CO2 capture, transportation, and oil displacement in the subsurface are discussed. We then show, for the first time, a comprehensive map of the current CO2 emissions from stationary industrial sources in Saudi Arabia. We discuss the potential of CO2-EOR in Saudi Arabia and provide an estimate of CO2 storage in depleted hydrocarbon fields, as well as other geological formations, including deep aquifers and CO2 mineralization in basalts. We close with some thoughts regarding the role of the oil and gas industry in Saudi Arabia in capitalizing on this opportunity by promoting CCUS as a win-win technology.

12:45: [EnergyTueAM04] OS
Analysis of hybrid operating mode for coolant source heat pump system applied to a fuel cell electric vehicle
Hoseong Lee¹ ; ¹Korea Automotive Technology Institute, Chonan, South Korea;
Paper Id: 415 [Abstract]

An efficient heating system for the cabin of electric-driven vehicles (xEVs) is required to minimize the reduction in the driving range. However, studies regarding heat pumps that use waste heat from fuel cell stack, electric devices and battery in xEVs are limited. In this study, the heating performance of a coolant-source heat pump using waste heat in xEVs is investigated by varying coolant temperature, and coolant volumetric flow rate to have enough capacity in severe ambient conditions. A novel triple-fluid heat exchanger is introduced to recover waste heat from the fuel cell stack with high level and electric devices with relatively low level at different temperatures. The heating performance of the coolant-source heat pumps using the electric device coolant and the stack coolant shows different characteristics owing to the different temperature levels of the coolants. This study suggests optimum heat pump system of xEVs with respect to driving range characteristics under severe ambient conditions.

References:
[1] Kim SC, Won JP, Park YS, Lim TW, Kim MS. Performance evaluation of a stack cooling system using CO2 air conditioner in fuel cell vehicles. Int J Refrig 2009;32:70–77.
[2] Takahisa S, Katsuya I. Air conditioning system for electric vehicle. Proceedings of SAE International Congress & Exposition;1996:960688.
[3] Al-Alawi BM, Bradley TH. Total cost of ownership, payback, and consumer preference modeling of plug-in hybrid electric vehicles. Appl Energy 2013;103:488–506.
[4] Brouwer AS, Kuramochi T, Broek M, Faaij A. Fulfilling the electricity demand of electric vehicles in the long term future: An evaluation of centralized and decentralized power supply systems. Appl Energy 2013;107:33–51.
[5] Lee HS, Lee MY. Cooling performance characteristics on mobile air-conditioning system for hybrid electric vehicles. Adv Mech Eng 2013:1–9.

SESSION: EnergyTuePM1-R11	Mauntz International Symposium (7th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, & storage for all energy production technologies; Energy conservation)
Tue. 29 Nov. 2022 / Room: Game
Session Chairs: Abdollah Esmaeili; Session Monitor: TBA

14:00: [EnergyTuePM105] OS
Formation Damage in a Reservoir
Maryam Dehghani¹ ; ¹Oil and Gas Company, Omidieh, Iran;
Paper Id: 21 [Abstract]

Formation damage, a reduction in the natural capability of a reservoir to produce its fluids, such as a decrease in porosity or permeability, or both, can occur near the well bore face (easier to repair) or deep into the rock (harder to repair). Formation damage is caused by several mechanisms: 1- physical plugging of pores by mud solids, 2- alteration of reservoir rock wettability, 3- precipitation of insoluble materials in pore spaces, 4- clay swelling in pore spaces, 5- migration of fines into pore throats, 6- introduction of an immobile phase, and 7- emulsion formation and blockage. Damage can occur when sensitive formations are exposed to drilling fluids. In this paper we discuss about damage during drilling, completion, production, work-over, what is the influence on formation damage?, What properties most influence the effect of formation damage?, damage mechanisms and how does formation mineralogy and clay chemistry influence damage? What about fines migration, scale, paraffin and asphaltenes, damage prevention and damage removal?

14:25: [EnergyTuePM106] OS
Pipeline External Corrosion Protection
Abdollah Esmaeili¹ ; Yermek Aubakirov¹ ; Fatima Kanapiyeva¹ ; ¹Al-Farabi Kazakh National University, Almaty, Kazakhstan;
Paper Id: 17 [Abstract]

The protection of pipelines from external corrosion is commonly accomplished by the combination of pipeline coatings with cathodic protection, to protect those portions of the pipeline that are inadequately coated or where the coating contains defects. Defects in pipeline coatings that expose bare steel are termed holidays. Conventional anode resistance formulas that ignore the current and potential distribution on the pipes are inadequate for the modelling of pipelines with holidays. Current and potential distribution must also be considered when modelling multiple pipelines. Factors such as variations in coating quality and stray current interference have an effect on the quality of the cathodic protection system. Another major factor in the design and maintenance of the underground infrastructure (e.g. pipelines, storage tanks, tunnels etc) is the electrical interference (electrical pollution) from power lines, railways and other electrical sources. Traditional resistance formulas are inadequate in modelling these complex interactions. Pipes with coated surfaces can be modelled in several ways. It was assumed in the analysis that the coating is a highly resistive barrier.

14:50: [EnergyTuePM107] OS
Matrix Acid Stimulation
Abdollah Esmaeili¹ ; Yermek Aubakirov¹ ; Fatima Kanapiyeva¹ ; ¹Al-Farabi Kazakh National University, Almaty, Kazakhstan;
Paper Id: 18 [Abstract]

Matrix acid stimulation is a relatively simple technique that is one of the most cost-effective methods to enhance well productivity and improve hydrocarbon recovery. Carbonate acidizing is usually performed with HCL except in situations where temperatures are very high and corrosion is an issue. Acids attack steel to produce solutions of iron salts while generating hydrogen gas. Over the years, many different acidizing systems have been developed for specific applications.<br />Matrix acidizing, with the appropriate systems in correctly identified candidate wells, is the most cost-effective way to enhance oil production in sandstone and carbonate reservoirs. Increased understanding of the chemistry and physics of the acidizing process as well as improvements in well site implementation have resulted in better acidizing success. Use of computer software that includes all known rules and guidelines for sandstone acidizing can greatly improve the success ratio by eliminating inappropriate designs and standardizing treatments. New acid systems with improved performance were developed specifically to address many of the problems inherent in sandstone acidizing.

15:15: [EnergyTuePM108] OS
Enhancing Condensate Recovery from Gas Condensate Reservoirs through Gas Injection
Abdollah Esmaeili¹ ; Yermek Aubakirov¹ ; Fatima Kanapiyeva¹ ; ¹Al-Farabi Kazakh National University, Almaty, Kazakhstan;
Paper Id: 16 [Abstract]

Gas reservoirs can be classified into dry gas reservoirs, wet gas reservoirs and Gas condensate reservoirs. In gas condensate reservoirs, the reservoir temperature lies between the critical temperature and the cricondentherm. The gas will drop out liquid by retrograde condensation in the reservoir, when the pressure falls below the dew point. This heavy part of the gas has found many application in industry and also in daily life and by remaining in reservoir not only this valuable liquid is lost but also its accumulation will result in forming a condensate bank near the well bore region which makes a considerable reduction in well productivity.<br />In this paper, gas injection will be studied in a gas condensate reservoir to increase the recovery factor moreover the capability of different injection gases (CO2, N2, CH4 and separator gas) will be compared through different injection schemes. The injection schemes which will be considered are: different injection rates, different injection pressures and different injection durations. We think that the response of the reservoir in different cases will be different but that injection of all of them can increase the condensate recovery. As many parameters can affect the decision of selecting the injection scheme, other than the gas and condensate recovery factor, doing an economical evaluation is inevitable to take them all into account and determine the best one. <br />In this paper, the efficiency of different schemes of gas injection and gas recycling in condensate recovery from a gas condensate reservoir, through compositional simulation has been studied and compared. The effect of changing injection rate, injection pressure and injection duration has been investigated by three injection gases (N2, CO2, CH4) and gas recycling. The appropriate and optimum case can be selected considering the results of the simulation work and doing an economical evaluation, taking into account all the parameters such as: the price of the gas and condensate, the price of the injection gases and the cost of the facilities needed in each scheme with regard to the present level.

SESSION: MoltenTuePM2-R11	Kipouros International Symposium (8th Intl. Symp. on Sustainable Molten Salt, Ionic & Glass-forming Liquids & Powdered Materials)
Tue. 29 Nov. 2022 / Room: Game
Session Chairs: Takanari Ouchi; Session Monitor: TBA

15:55: [MoltenTuePM209] OS
A life dedicated to molten salts and powder metallurgy - Part 1
Georges Kipouros¹ ; ¹Dalhousie University, Halifax, Canada;
Paper Id: 541 [Abstract]

At 50th year anniversary of the research, some fields stand out: The first is the molten salt research at University of Toronto. There the successful electrorefining of zirconium metal in chloride-fluoride melts was achieved and the separation of the two elements in alkali molten salt systems. This was followed by Electrolytic and in-situ Raman spectroscopic studies of molten salts Massachusetts Institute of Technology (aluminum, magnesium and molybdenum systems). The industrial chloride electrolysis cell for magnesium production was investigated successfully and the streamers were observed during the electrolysis. The chloride aluminum production cell was also investigated, and spectacular new results were observed. Molten salts research passed industry at General Motors Research Laboratories, Warren, Michigan, USA where a molten salt process was developed to produce neodymium-iron alloy to be used in the production of Nd2Fe14B permanent magnets discovered at General Motors Research Laboratories, Warren, Michigan, USA. Basic research was the focus again at the Technical University of Nova Scotia (TUNS/Dalhousie). Three new research directions were investigated: the passivation of copper cathodes in the production of pure copper; the aqueous corrosion of cermets and the electroless coating of difficult to plate metals. Transferring the academic to the industry was the next step and more specifically to use molten salts research for the reduction of weight in transportation at the Department of Physics, General Motors Research and Development Center. A new process was successfully developed to produce high purity mangesium for automobile manufacturing And curiosity to tackle new fields lead to the research Cermets (Titanium carbide (TiC)-based ceramic-metal composites). Developed a well-equipped modern laboratory that not only allows for the preparation of cermets but also the corrosion performance of the various types produced in the laboratory. Electroless/Electrolytic plating came as a necessity following the research at Texas Instruments. A new process was developed that was successful for aluminum and extended to the electroless Ni-P coating on carbon steel using the ammonia-free friendly bath and was used in a smart application of the application of Ni-P on steel axles which allows to monitor the thickness of phosphorating of Ni-P during the operation. Powder metallurgy and additive manufacturing was an interesting addition in the research because the Artificial Intelligence helped tremendously in the expansion of the powder metallurgy to the extent that AI is considered the powder metallurgy or additive metallurgy. Kipouros laboratory was the first to demonstrate the aluminum powder sintering and later with the collaboration of GKN Sinter metal.

16:20: [MoltenTuePM210] OS
A life dedicated to molten salts and powder metallurgy - Part 2
Georges Kipouros¹ ; ¹Dalhousie University, Halifax, Canada;
Paper Id: 542 [Abstract]

At 50th year anniversary of the research, some fields stand out: The first is the molten salt research at University of Toronto. There the successful electrorefining of zirconium metal in chloride-fluoride melts was achieved and the separation of the two elements in alkali molten salt systems. This was followed by Electrolytic and in-situ Raman spectroscopic studies of molten salts Massachusetts Institute of Technology (aluminum, magnesium and molybdenum systems). The industrial chloride electrolysis cell for magnesium production was investigated successfully and the streamers were observed during the electrolysis. The chloride aluminum production cell was also investigated, and spectacular new results were observed. Molten salts research passed industry at General Motors Research Laboratories, Warren, Michigan, USA where a molten salt process was developed to produce neodymium-iron alloy to be used in the production of Nd2Fe14B permanent magnets discovered at General Motors Research Laboratories, Warren, Michigan, USA. Basic research was the focus again at the Technical University of Nova Scotia (TUNS/Dalhousie). Three new research directions were investigated: the passivation of copper cathodes in the production of pure copper; the aqueous corrosion of cermets and the electroless coating of difficult to plate metals. Transferring the academic to the industry was the next step and more specifically to use molten salts research for the reduction of weight in transportation at the Department of Physics, General Motors Research and Development Center. A new process was successfully developed to produce high purity mangesium for automobile manufacturing And curiosity to tackle new fields lead to the research Cermets (Titanium carbide (TiC)-based ceramic-metal composites). Developed a well-equipped modern laboratory that not only allows for the preparation of cermets but also the corrosion performance of the various types produced in the laboratory. Electroless/Electrolytic plating came as a necessity following the research at Texas Instruments. A new process was developed that was successful for aluminum and extended to the electroless Ni-P coating on carbon steel using the ammonia-free friendly bath and was used in a smart application of the application of Ni-P on steel axles which allows to monitor the thickness of phosphorating of Ni-P during the operation. Powder metallurgy and additive manufacturing was an interesting addition in the research because the Artificial Intelligence helped tremendously in the expansion of the powder metallurgy to the extent that AI is considered the powder metallurgy or additive metallurgy. Kipouros laboratory was the first to demonstrate the aluminum powder sintering and later with the collaboration of GKN Sinter metal.

16:45: [MoltenTuePM211] OS Plenary
New Research Lines in the Synthesis of Alloys and Compounds via the FFC-Cambridge Electro-deoxidation Process
Carsten Schwandt¹ ; ¹University of Nizwa, Nizwa, Oman;
Paper Id: 282 [Abstract]

The FFC-Cambridge process is a generic molten salt electrolytic method that was invented at the Department of Materials Science and Metallurgy of the University of Cambridge almost two decades ago. It makes possible the direct conversion of metal oxides into the corresponding metals through the cathodic polarisation of the oxide in a molten salt electrolyte based on calcium chloride [1]. The process is rather universal in its applicability, and numerous studies on metals, alloys and intermetallics have since been performed at the place of its invention and worldwide [2]. This presentation will first give an introduction into the fundamentals of the FFC-Cambridge process and will then feature some of the more recent and ongoing research lines. Their overarching theme is the harnessing of this process for the synthesis of multinary materials that are difficult to achieve via conventional metallurgical methods. Specific systems of interest include ultra-high-melting-point alloys and carbides [3,4], high-entropy alloys and carbides [5-7], biomedical alloys based on beta-titanium [8,9]. Also touched upon will be the possibility of the combined generation of metals and oxygen from lunar materials [10].

References:
[1] G.Z. Chen, D.J. Fray, T.W. Farthing, Direct electrochemical reduction of titanium dioxide to titanium in molten calcium chloride, Nature, 407, 361–364 (2000)

[2] D.J. Fray, C. Schwandt, Aspects of the application of electrochemistry to the extraction of titanium and its applications, Materials Transactions, 58, 306–312 (2017)

[3] D. Sri Maha Vishnu, J. Sure, H.-K. Kim, C. Schwandt, Facile and scalable electrochemical synthesis of Ta-Nb alloy powders for capacitors, Journal of The Electrochemical Society, 167, 022504, 8 pages (2020)

[4] J. Sure, D. Sri Maha Vishnu, S.-H. Choi, H.-K. Kim, C. Schwandt, Facile electrochemical preparation of nano-sized ultra-high-temperature Ta_1-xHf_xC ceramic powders, Journal of The Electrochemical Society, 169, 062506, 10 pages (2022)

[5] J. Sure, D. Sri Maha Vishnu, C. Schwandt, Direct electrochemical synthesis of high-entropy alloys from metal oxides, Applied Materials Today, 9, 111–121 (2017)

[6] J. Sure, D. Sri Maha Vishnu, C. Schwandt, Electrochemical conversion of oxide spinels into high-entropy alloy, Journal of Alloys and Compounds, 776, 133–141 (2019)

[7] J. Sure, D. Sri Maha Vishnu, H.-K. Kim, C. Schwandt, Facile electrochemical synthesis of nanoscale (TiNbTaZrHf)C high-entropy carbide powder, Angewandte Chemie International Edition, 59, 11830–11835 (2020)

[8] D. Sri Maha Vishnu, J. Sure, Y.J. Liu, R.V. Kumar, C. Schwandt, Electrochemical synthesis of porous Ti-Nb alloys for biomedical applications, Materials Science & Engineering C, 96, 466–478 (2019)

[9] D. Sri Maha Vishnu, J. Sure, R.V. Kumar, C. Schwandt, Factors controlling the synthesis of porous Ti-based biomedical alloys by electrochemical, deoxidation in molten salts, Metallurgical and Materials Transactions B, 52, 1590–1602 (2021)

[10] C. Schwandt, J.A. Hamilton, D.J. Fray, I.A. Crawford, The production of oxygen and metal from lunar regolith, Planetary and Space Science, 74, 49–56 (2012)

17:10: [MoltenTuePM212] OS Plenary
Deoxidation of titanium using rare earth metals as deoxidation agents in molten salt electrolyte
Takanari Ouchi¹ ; Toru Okabe¹ ; ¹The University of Tokyo, Tokyo, Japan;
Paper Id: 196 [Abstract]

Titanium (Ti) is the ninth-most abundant element of the Earth’s crust. Ti and its alloys have excellent characteristics, such as high specific strength and high corrosion resistance; however, their use is currently limited in specific areas because of their high production costs. Feeding Ti scraps with virgin Ti for ingot production is an approach to reduce these costs. In this process, scrap dosages are limited to avoid increasing the O concentration of the ingot. Reducing the concentration of O in Ti and its alloys is a significant challenge due to high affinity of Ti for O and high solubility of O in Ti. To increase scrap dosage, we developed a new deoxidation process for Ti and its alloys. In this work, Ti and Ti alloys were deoxidized in a molten salt electrolyte using rare-earth metals (e.g., Y, La, and Ho) as reducing agents[1–10]. By utilizing the formation of rare-earth oxyhalides, we demonstrated that the O concentration in Ti could be decreased to less than 100 mass ppm, lower than that in the virgin metals (Sponge Ti). Therefore, we named this process the “upgrade recycling process,” and have implemented it for Ti alloys. We believe this new method is a promising technique to promote the recycling of Ti and its alloys, lowering the price of Ti products in the future.

References:
[1] T. H. Okabe, C. Zheng, and Y. Taninouchi, Metall. Mater. Trans. B, 49 (2018) 1056-1066.\n[2] T. H. Okabe, Y. Taninouchi, and C. Zheng, Metall. Mater. Trans. B, 49 (2018) 3107-3117.\n[3] C. Zheng, T. Ouchi, A. Iizuka, Y. Taninouchi, T. H. Okabe, Metall. Mater. Trans. B, 50 (2019) 622-631.\n[4] C. Zheng, T. Ouchi, L. Kong, Y. Taninouchi, T. H. Okabe, Metall. Mater. Trans. B, 5 (2019) 1652-1661.\n[5] L. Kong, T. Ouchi, T. H. Okabe, Materials Transactions, 60 (2019) 2059–2068.\n[6] L. Kong, T. Ouchi, C. Zheng, T. H. Okabe, J. Electrochem. Soc., 166 (2019) E429-E437.\n[7] A. Iizuka, T. Ouchi, T. H. Okabe, Metall. Mater. Trans. B, 51 (2020) 433-442.\n[8] A. Iizuka, T. Ouchi, T. H. Okabe, Materials Transactions, 61 (2020) 758-765.\n[9] T. Tanaka, T. Ouchi, T. H. Okabe, Metall. Mater. Trans. B, 51 (2020) 1485-1494.\n[10] L. Kong, T. Ouchi, T. H. Okabe, Journal of Alloys and Compounds, accepted in press.

SESSION: EnergyTuePM3-R11	Mauntz International Symposium (7th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, & storage for all energy production technologies; Energy conservation)
Tue. 29 Nov. 2022 / Room: Game
Session Chairs: TBA Session Monitor: TBA

17:50: [EnergyTuePM313] OS Invited
Applications of Nanotechnology in Oil and Gas Industry
Abdollah Esmaeili¹ ; ¹Al-Farabi Kazakh National University, Almaty, Kazakhstan;
Paper Id: 15 [Abstract]

Nanotechnology could be used to enhance the possibilities of developing conventional and stranded gas resources and to improve the drilling process and oil and gas production by making it easier to separate oil and gas in the reservoir. Nanotechnology can make the oil and gas industry considerably greener. There are numerous areas in which nanotechnology can contribute to more-efficient, less-expensive, and more-environmentally sound technologies than those that are readily available. We identified the following possibilities of nanotechnology in the petroleum industry: 1-Nanotechnology-enhanced materials that provide strength to increase performance in drilling, tubular goods, and rotating parts. 2- Designer properties to enhance hydro-phobic to enhance materials for water flooding applications. 3- Nanoparticulate wetting carried out using molecular dynamics 4- Lightweight materials that reduce weight requirements on offshore platforms 5- Nanosensors for improved temperature and pressure ratings 6- New imaging and computational techniques to allow better discovery, sizing, and characterization of reservoirs. Nanoparticles have been successfully used in drilling mud’s for the past 50 years. Only recently all the other key areas of the oil industry, such as exploration, primary and assisted production, monitoring, refining and distribution, are approaching nanotechnologies as the potential Philosopher's stone for facing critical issues related to remote locations, harsh conditions (high-temperature and high-pressure formations), nonconventional reservoirs (heavy oils, tight gas, tar sands). The general aim is to bridge the gap between the oil industry and nanotechnology community using various initiatives such as consortia between oil and service companies and nanotechnology excellence centre’s, networking communities, workshops and conferences and even dedicated research units inside some oil companies. This paper provides an overview of the most interesting nanotechnology applications and highlights the potential benefits that could come from this technology to the oil and gas industry.

18:15: [EnergyTuePM314] OS
Oil Production and Environmental Damage
Abdollah Esmaeili¹ ; Yermek Aubakirov¹ ; Fatima Kanapiyeva¹ ; ¹Al-Farabi Kazakh National University, Almaty, Kazakhstan;
Paper Id: 19 [Abstract]

Most countries depend on oil. States will go to great lengths to acquire an oil production capability or to be assured access to the free flow of oil. History has provided several examples in which states were willing to go to war to obtain oil resources or in defense of an oil producing region. States have even become involved in conflicts over areas which may only possibly contain oil resources. This trend is likely to continue in the future until a more economical resource is discovered or until the world's oil wells run dry. One problem associated with this dependence on oil is the extremely damaging effects that production, distribution, and use have on the environment. Furthermore, accidents and conflict can disrupt production or the actual oil resource, which can also result in environmental devastation. One potential solution to this problem is to devise a more environmentally-safe resource to fuel the economies of the world.

SESSION: MoltenWedAM-R11	Kipouros International Symposium (8th Intl. Symp. on Sustainable Molten Salt, Ionic & Glass-forming Liquids & Powdered Materials)
Wed. 30 Nov. 2022 / Room: Game
Session Chairs: Amr Henni; Session Monitor: TBA

11:30: [MoltenWedAM01] OS Plenary
High Carbon Dioxide Capacity and Thermophysical Properties of Aqueous Piperazine Solutions Blended with 1-Butyl-3-Methylimidazolium Acetate
Firuz Philip¹ ; Amr Henni² ; ¹University of Regina, REGINA, Canada; ²University of Regina, Regina, Canada;
Paper Id: 38 [Abstract]

Anthropogenic CO2 emission is driving global warming, hence causing a drastic change in earth's geological and ecological systems. One of the solutions to reduce CO2 emission is to capture it from large point sources and store in geological strata or use it in enhanced oil recovery (EOR). Among many technologies, amine-based CO2 capture process is the most mature one and it offers high CO2 capture capacity and rapid kinetics. However, high regeneration energy, degradation and corrosion for the amine systems [1] compelled researchers to find alternate solvents. Ionic liquids (ILs) known as green solvents are molten salts at room temperature fulfil those criteria of low regeneration energy, negligible volatility and high thermal stability.[2] But, low CO2 uptake and high viscosity is the hindrance for deployment in CO2 capture operation [3]. To improve CO2 uptake, researcher have deployed strategies of functionalizing ILs with amines then known as task specific ionic liquids (TSILs)[4], but costly synthesis and purification steps, excessive viscosity forming gel like solids upon CO2 uptake are major obstruction for CO2 capture operation. An alternate strategy of blending the amines with ILs have shown promising results, such blended systems retain the desired properties of ILs but exclude the drawbacks of TSILs such as high synthesis cost and high viscosity. Moreover, the regeneration process requires lower energy as ILs replaces water fully or partially without compromising the absorption performance. A number of blended systems have been reported in the literature, however, in search of better blended systems with higher CO2 capacity but lower viscosity, new blended systems comprising of water, amines (Piperazine (PZ)) and ILs (1-butyl-3-methylimidazolium acetate ([Bmim][Ac]) were investigated. <br />Herein, the concentration of PZ was kept constant at 15 wt.%, while the concentration of ionic liquid (ILs) was varied from 0 to 60 wt.% by replacing the corresponding amount of water. Experiments were conducted up-to a CO2 partial pressure of 300 kPa at (313 and 333) K. In addition, the density and viscosity of all the blended systems were measured for the temperature range of (303 to 333) K at atmospheric pressure. The results indicated that the CO2 uptake in all blended systems increased with the increase in CO2 partial pressure. In addition, CO2 uptake decreases for all systems with an increase in temperature. No significant change in CO2 uptake was observed for the addition of ILs up to 30 wt.% to aqueous PZ, however a dramatic increase in CO2 uptake was observed for ILs concentration of 60 wt.%. Moreover, it was found that the viscosities of the blended systems are significantly lower than the pristine [Bmim][Ac] as well as other functionalized ionic liquids (TSILs) reported in the literature. The results reveal that aqueous PZ + [Bmim][Ac] blended systems have the potential to overcome the drawbacks of IL/TSILs while retaining superior CO2 capture performance.

References:
[1] T.E. Akinola, E. Oko, M. Wang, Study of CO 2 removal in natural gas process using mixture of ionic liquid and MEA through process simulation, Fuel. 236 (2019) 135–146. https://doi.org/10.1016/j.fuel.2018.08.152.\n[2] Y. Zhao, X. Zhang, S. Zeng, Q. Zhou, H. Dong, X. Tian, S. Zhang, Density, viscosity, and performances of carbon dioxide capture in 16 absorbents of amine + ionic liquid + H2O, ionic liquid + H2O, and Amine + H2O systems, J. Chem. Eng. Data. 55 (2010) 3513–3519. https://doi.org/10.1021/je100078w.\n[3] X. Zhang, X. Zhang, H. Dong, Z. Zhao, S. Zhang, Y. Huang, Carbon capture with ionic liquids: Overview and progress, Energy Environ. Sci. 5 (2012) 6668–6681. https://doi.org/10.1039/c2ee21152a.\n[4] E.D. Bates, R.D. Mayton, I. Ntai, J.H. Davis, CO 2 Capture by a Task-Specific Ionic Liquid, J. Am. Chem. Soc. 124 (2002) 926–927. https://doi.org/10.1021/ja017593d.

11:55: [MoltenWedAM02] OS
Selectivity of CO2 over ethane in four [Tf2N] and three [FSI] based ionic liquids of importance in the sweetening of natural gas
Devjyoti Nath¹ ; Ali Tajouri¹ ; Amr Henni² ; ¹University of Regina, REGINA, Canada; ²University of Regina, Regina, Canada;
Paper Id: 59 [Abstract]

<p>Anthropogenic emission of carbon dioxide (CO2) is accelerating global warming. One of the technologically advanced techniques for mitigating CO2 emission is to capture CO2 from the major point of sources such as flue-gas and store in geological storage. Apart from the storage in geological formation, captured CO2 can also be used in enhanced oil recovery. Furthermore, CO2 capture process is also used for natural gas sweetening to maintain the quality of natural gas. CO2 capture with the alkanolamine based chemical solvents is the most efficient technique that has been used for long-time, but this technique is still not economical due to high regeneration cost, high amount of solvent degradation and high corrosiveness. Ionic liquids (ILs) which are molten salt with a melting point below 373.15 K [1] have received enormous research emphasis recently as an alternative to reactive solvents as they require much less energy for regeneration and they possess special physical properties such as non-flammable, negligible vapor pressure, high stability, etc.<br />Previous study showed that the anion part of the ILs has more significant effect on the solubility of gases in ILs and the cation has a minor effect [2]. Moreover, the presence of S=O groups and fluorination in anion increase solubility of CO2 in ILs [3]. Due to the presence of S=O groups and fluorination in bis(trifluoromethylsulfonyl)imide ([Tf2N]) and bis(fluorosulfonyl)imide ([FSI]) anion, four [Tf2N] based ILs and three [FSI] based ILs were selected for this study. The major objectives of this study were to investigate the solubility of carbon dioxide (CO2) and ethane (C2H6) in [Tf2N] and [FSI] anion based ILs, estimate the selectivity towards CO2 over C2H6 for these ILs and compare the solubility of CO2 and selectivity among these ILs.<br />Solubility of CO2 and C2H6 in [Tf2N] and [FSI] ionic liquids, {N,N-dimethyl-N-ethyl-N-(3-methoxy-propyl)ammonium bis(trifluoromethylsulfonyl)imide, 1-Allyl-3H-imidazolium bis(trifluoromethyl sulfonyl)imide, 1-(3-Hydroxy propyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, N,N-diethyl-N-methyl-n-(2-methoxyethyl)ammonium bis(trifluoromethanesulfonyl)imide, 1-Methyl-1-propylpiperidinium bis(fluorosulfonyl)imide, N-propyl- n-methylpyrrolidinium bis(fluorosulfonyl)imide, and N,n-diethyl-n-methyl-n-propylammonium bis(fluorosulfonyl)imide} were measured at (303.15, 323.15, and 343.15) K and at pressures up to 1.5 MPa with a gravimetric microbalance. Solubility of CO2 and C2H6 in these ILs increased significantly with the increase in pressure in a linear manner and reduced with an increase in temperature. Henry's law constants, enthalpies and entropies for the absorption of CO2 and C2H6 were estimated from the solubility data. Experimental solubility data were correlated with the Peng-Robinson (PR) equation of state. The selectivities towards carbon dioxide (CO2) over C2H6 for these ILs were also estimated. Results showed that [Tf2N] based ILs exhibited higher CO2 solubility compared to [FSI] based ILs, while [FSI] based ILs exhibited higher selectivity towards CO2.</p>

References:
<p>REFERENCES:\n[1] Turnaoglu, T., Minnick, D. L., Morais, A. R. C., Baek, D. L., Fox, R. V., Scurto, A. M., &amp; Shiflett, M. B. (2019). Journal of Chemical &amp; Engineering Data, 64(11), 4668-4678.\n[2] Anthony, J. L., Anderson, J. L., Maginn, E. J., &amp; Brennecke, J. F. (2005). The Journal of Physical Chemistry B, 109(13), 6366-6374.\n[3] Muldoon, M. J., Aki, S. N., Anderson, J. L., Dixon, J. K., &amp; Brennecke, J. F. (2007). The Journal of Physical Chemistry B, 111(30), 9001-9009.</p>

12:20: [MoltenWedAM03] OS
4D Computer Models of T-x-y-z Diagrams Within the Tetrahedrized Fluoride-Chloride Quaternary Reciprocal Systems To Design The Fuels of Nuclear Reactor Generation 4
Vera Vorob'eva¹ ; Anna Zelenaya¹ ; Vasily Lutsyk¹ ; Marina Lamueva² ; Maria Parfenova¹ ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation; ²Institute of Physical Materials Science, Ulan-Ude, Russian Federation;
Paper Id: 210 [Abstract]

The fuel compositions for molten-salt nuclear reactor of the 4th generation are usually fluorides of metals with a small cross-section of neutron capture [1-3]. Сhloride systems, compared to fluoride, have higher vapor pressures and lower thermodynamic stability at high temperatures. At the same time, they are less aggressive in relation to the structure of the material and have lower melting temperatures. Therefore, in order to ensure the more reliable operation of the next generation reactors, it is necessary to consider chemical processes and equilibrium in mutual fluoride-chloride systems. Among the binary systems composed of fluoride or chlorides of alkaline metals and uranium (plutonium) we can say, that all fluoride systems forming ternary M1,M2,U(Pu)||F (M1,M2=Li,Na,K,Rb) are experimentally studied in more or less detail. But the chloride systems M1,M2,U(Pu)||Cl (M1,M2=Li,Na,K,Rb) have been studied much less. And there is no information about the study of ternary reciprocal systems M,U(Pu)||F,Cl (M=Li,Na,K,Rb). Accordingly, the polyhedration of the M1,M2,U(Pu)||F,Cl (M1,M2=Li,Na,K,Rb) quaternary reciprocal systems can only be multivariate, and the construction of 4D computer models T-x-y-z diagrams of the resulting subsystems - virtual. Four variants of the Li,Na,U||F,Cl system polyhedration are discussed and 3 quintets of four- dimensional T-x-y-z diagrams for the quaternary systems have been forecasted. This work was been performed under the program of fundamental research SB RAS (project 0336-2019-0008), and it was partially supported by the RFBR project 19-38-90035.

References:
1. Thoma R.E., Editor. Phase Diagrams of Nuclear Reactor Materials. – Union Carbide\nCorp., Oak Ridge, Tennessee, 1959. – 205 pp.\n2. Gabcova J., Peschl J., Malinovsky M. et al //Chemicke Zvesti (Chemical Papers). 1976.\nV. 30. No 6. P. 796-804.\n3. Vorob’eva V., Zelenaya A., Lutsyk V., Lamueva M. T-x-y-z Diagram Prediction for the\nQuaternary System Li,Na,Ca,La||F // IOP Conference Series: Materials Science and Engineering.\n- 2020. - V. 1000, 012007.

12:45: [MoltenWedAM04] OS
Electrochemical Behaviour of Cobalt Oxide in Carbamide Melts
Sergei Devyatkin¹ ; Svetlana Kochetova² ; Alexandr Pisanenko¹ ; Ludmila Bogdanovich¹ ; ¹Institute of General and Inorganic Chemistry, Kiev, Ukraine; ²V.I. Vernadsky Institute of General and Inorganic Chemistry of the National Academy of Sciences of Ukraine, Kyiv, Ukraine;
Paper Id: 12 [Abstract]

Carbamide melts have found applications as electrolytes for electrochemical treatment of metals [1, 2]. The possibility of electrodeposition of cobalt from carbamide melts at 408 K has been examined for tungsten as an example. When studying the electrochemical behaviour of cobalt oxide in molten carbamide, it can be concluded that maximum limiting currents are typical of the system (NH2)2CO-CoO. Cobalt coatings on nickel cathodes have been obtained by the electrolysis of the molten system (NH2)2CO-CoO at current densities of 20-30 mA/cm².

References:
[1] Klochko M.A., Strelnikov A.A. 1960. Study of electrical conductivity and viscosity in the
system ammonium nitrate – urea. In: Russian Journal of Inorganic Chemistry. Volume
10. p. 2483-2490.
[2] Tumanova N.Kh., Devyatkin C.V. Boiko O.I. 2004. Refractory metals electrochemistry
in ion and ion–organic melts. In: Ukrainian Chemical Journal. Volume 7/8. p. 78-84.

SESSION: MoltenWedPM1-R11	Kipouros International Symposium (8th Intl. Symp. on Sustainable Molten Salt, Ionic & Glass-forming Liquids & Powdered Materials)
Wed. 30 Nov. 2022 / Room: Game
Session Chairs: Inessa Novoselova; Session Monitor: TBA

14:00: [MoltenWedPM105] OS
Continuous monitoring and control of the AlF3 content of the cryolitic melt in aluminium electrolysis
Vicky Vassiliadou¹ ; Antonis Peppas² ; Maria Taxiarchou³ ; Ioannis Paspaliaris³ ; ¹Mytilineos Holdings S.A, Agios Nikolaos, Greece; ²National Technical University of Athens, Zografos Campus, Greece; ³National Technical University of Athens, Athens, Greece;
Paper Id: 378 [Abstract]

The aim of this paper is to summarize the mathematical equations applied to the modelling of the physicochemical properties of the aluminium electrolysis cryolite melts and the study of the effect on the properties of its aluminium fluoride content and the development of a methodology for the direct determination of its concentration in the electrolysis bath that can be applied in industrial scale electrolysis cells.<br />The AlF₃ content of the electrolyte melt is one of the most important parameters affecting the physicochemical properties of the electrolysis bath. In the current industrial practice, the determination of AlF₃ concentration in the bath is performed through periodic sampling, chemical analysis of the selected samples and, based on the chemical analysis results, the appropriate quantity of AlF₃ addition is determined. This procedure is time consuming, and its major disadvantage is that between the time of sampling and analysis until the addition of the corrective AlF₃ quantity, the AlF₃ content of the bath has changed. This creates a serious problem in the proper control of the AlF₃ concentration in the electrolysis bath and the stable operation of the electrolysis cell.<br />A methodology for the real time determination of the AlF₃ content of the electrolysis bath has been developed based on the measurement of the bath resistance. According to the proposed methodology, a given change in the anode cathode distance is applied and the corresponding change in the bath resistance is measured and, from its value, the bath electrical resistivity is determined. The value of the electrical resistivity is correlated to the value of the theoretical electrical resistivity of the bath and through an appropriate algorithm the AlF3 content of the bath is determined in real time with sufficient accuracy.

References:
Haupin W., Kvande H. (2016). “Thermodynamics of Electrochemical Reduction of Alumina”, Essential Readings in Light Metals, Bearne G., Dupuis M., Tarcy G. (eds). \nHaupin W., Kvande H. (2002). "Mathematical Model of Fluoride Evolution from Hall-Héroult Cells", Proceedings from the International Jomar Thonstad Symposium, (ed.) A. Solheim and G.M. Haarberg, Trondheim, Norway, October 16 - 18, pp. 53-65.\nGusberti V. (2014). “Modelling the mass and energy balance of aluminium reduction cells”. Ph.D. thesis, University of New South Wales.\nAntille J., von Kaenel R., Bugnion L. (2016). “Hall-Héroult Cell Simulator: A Tool for the Operation and Process Control”, Light Metals, Williams E. (ed). \nKolås S. (2007). "Defining and Verifying the 'Correlation Line' in Aluminum Electrolysis", JOM, Vol. 59, No. 5, pp. 55-60.\nJessen S. W. (2008). “Mathematical Modeling of a Hall Héroult Aluminium Reduction Cell”. Master Thesis, Technical University of Denmark

14:25: [MoltenWedPM106] OS
Electrochemical Utilization of Carbon Dioxide
Inessa Novoselova¹ ; ¹V.I. Vernadskii Institute of General and Inorganic Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine;
Paper Id: 70 [Abstract]

<p>The global warming, caused by the increase in the emission of greenhouse gases, such as carbon dioxide (CO2), methane (CH4) and others, has been recognized as a serious environmental problem of the humanity. At the present time, the annual increase in CO2 is 3200-3600 million tons. According to the calculations of the International Group of Experts on Climate Change (IGECC), if CO2 emissions continue to increase at this rate, the average annual temperature on the Earth will increase by 1.5-4.5 &ordm;C by the end of the 21st century. Therefore, the effective utilization of carbon dioxide is a topical scientific and environmental problem. The CO2 utilization methods can be conditionally divided into biological, chemical and physical ones. Among the chemical methods, the electrochemical method is an efficient but still poorly developed method. It involves the electrochemical decomposition of CO2 at the cathode. Depending on the electrolysis conditions (electrolytic bath composition, temperature, current density, electrode materials), the chemical composition of cathodic products can change dramatically. The electroreduction of carbon dioxide in molten salts can be considered one of the possible ways of solving this problem. A peculiarity of the electroreduction of CO2 dissolved in molten salts is the deposition of a solid carbon phase on the cathode in contrast to aqueous, organic (ionic liquids) and solid-oxide electrolytes. The investigation of this process is dealt with in a large number of original papers and reviews [1-3]. These works contain certain contradictions as to the compositions of electrolysis products; there are also contradictions in the interpretation of obtained data and proposed mechanisms of electrode processes. The aim of this report is to consider the present state of research on the electrochemical conversion of carbon dioxide from different types of electrolytes: aqueous, organic (ionic liquids), solid-oxide and molten salt. The comparative analysis of the effectiveness of using these electrolytes, as well as cathodic products obtained by carbon dioxide decomposition and prospects for their use will be done. Special emphasis is made on the electrochemical decomposition of carbon dioxide in salt melts, several variants of decomposition are shown, the advantages and disadvantages of each variant are analyzed.</p>

References:
<p>[1] D. Chery, V. Lair, and M. Cassir, Frontiers in Energy Research 3 (2015) 43. [2] I.A. Novoselova, S.V. Kuleshov, S.V. Volkov, and V.N. Bykov, Electrochimica Acta 211 (2016) 343-355. [3] R. Jiang, M. Gao, X.Mao, and D. Wang, Current Opinion in Electrochemistry 17 (2019) 38-46.</p>

SESSION: SolutionChemistryWedPM2-R11	Marcus International Symposium (Intl. symp. on Solution Chemistry Sustainable Development)
Wed. 30 Nov. 2022 / Room: Game
Session Chairs: Na'il Saleh; Rukayat Shola Bojesomo; Session Monitor: TBA

15:55: [SolutionChemistryWedPM209] OS
Benzimidazole-Piperazine-Coumarin/CB7 Supramolecular PET Fluorochrome for Detection of Carnosol by Stimuli-Responsive Dye Displacement and pKa Tuning
Rukayat Shola Bojesomo¹ ; Na'il Saleh² ; ¹United Arab Emirate University, Abu Dhabi, United Arab Emirates; ²United Arab Emirates University, Al-Ain, United Arab Emirates;
Paper Id: 162 [Abstract]

In recent years, the number of indicator displacement assays (IDAs) [1] has increased as an eminent strategy for changing a synthetic receptor (host) into an optical sensor. In a conventional IDA, an indicator (dye) is first permitted to reversibly bind a host, before being dislodged from the host by a competitive analyte (drug) and thus the strategy regulates an optical signal despite the analyte and the host are both spectroscopically inactive. It is quite crucial that the indicator and analyte have similar affinity for the receptor.[2–6] A new fluorescent dye (4PBZC) comprises of coumarin, piperazine and benzimidazole (BZ) was designed, prepared and complexed to cucurbit[7]uril (CB7) to detect carnosol (CAR) anticancer drug in sub-nanomolar concentrations utilizing the supramolecular indicator displacement assay (IDA) strategy, the CB7-assisted pKa shift and the CB7-retarded photoinduced electron transfer (PET) process. The 2:1 host−guest complexation was confirmed by UV−visible absorption, fluorescence and proton NMR spectroscopy, which confirm binding to 4PBZC via the BZ and coumarin moieties. Also, CB7 preferentially binds the indicator dye via the protonated BZ group compared to the neutral BZ group, demonstrated by a high 2:1 binding constant (e.g., K = 5.5 × 106 M−1) of the complex in its protonated form, which led to an increase in the pKa of the BZ moiety by ca. 3.0 units after the addition of CB7. In the aqueous solution under pH of 6, switching the emission signals between 4PBZH+C/CB7 (ON state) and CAR/CB7NPs (OFF state) was achieved by displacement of the protonated dye from the cavity of CB7 by the CAR analyte. An efficient sensor was fabricated for the highly sensitive detection of CAR in aqueous solution at pH 6 with a low-detection limit (LOD) of 0.06 ng/mL (0.2 nM).

References:
(1) Nguyen, B. T.; Anslyn, E. V. Indicator–Displacement Assays. Coordination Chemistry Reviews 2006, 250 (23), 3118–3127. https://doi.org/10.1016/j.ccr.2006.04.009.
(2) Sinn, S.; Biedermann, F. Chemical Sensors Based on Cucurbit[n]Uril Macrocycles. Israel Journal of Chemistry 2018, 58 (3–4), 357–412. https://doi.org/10.1002/ijch.201700118.
(3) Ghale, G.; Nau, W. M. Dynamically Analyte-Responsive Macrocyclic Host–Fluorophore Systems. Acc. Chem. Res. 2014, 47 (7), 2150–2159. https://doi.org/10.1021/ar500116d.
(4) Mako, T. L.; Racicot, J. M.; Levine, M. Supramolecular Luminescent Sensors. Chem. Rev. 2019, 119 (1), 322–477. https://doi.org/10.1021/acs.chemrev.8b00260.
(5) Sinn, S.; Krämer, J.; Biedermann, F. Teaching Old Indicators Even More Tricks: Binding Affinity Measurements with the Guest-Displacement Assay (GDA). Chem. Commun. 2020, 56 (49), 6620–6623. https://doi.org/10.1039/D0CC01841D.
(6) Sinn, S.; Spuling, E.; Bräse, S.; Biedermann, F. Rational Design and Implementation of a Cucurbit[8]Uril-Based Indicator-Displacement Assay for Application in Blood Serum. Chemical Science 2019, 10 (27), 6584–6593. https://doi.org/10.1039/C9SC00705A.

16:20: [SolutionChemistryWedPM210] OS Keynote
Regulating Physico-Chemical Properties of Ionic Liquids as Promising Components for Enhancing the Sorption and Extraction Processes
Ramesh Gardas¹ ; ¹Indian Institute of Technology Madras, Chennai, India;
Paper Id: 185 [Abstract]

A novel class of molten salts referred to as ionic liquids possess the unique combination of particular properties, unlike molecular liquids, namely negligible vapour pressure (~ 10^-11 to 10^-10 bar at room temperature), wide thermal window (~ -50 °C to +250 °C), wide electrochemical window (~ ±3 Volt vs. NHE), non-flammability, high ionic conductivity and a highly solvating capacity for organic, inorganic and organometallic compounds. This unique combination of particular properties leads them to be exploited as “alternatives to organic solvents” and giving them increasing attention in academic and industrial research. The research areas on ionic liquids are growing very rapidly and the potential applications are numerous, mainly due to the fact that simple changes in the cation and anion combinations or the nature of the moieties attached to each ion allow the physical properties of ionic liquids such as hydrophobicity, viscosity, density, coordinating ability, ion selectivity, and chemical and electrochemical stability to be tailored for specific applications. The proposed talk will include the brief introduction of ionic liquids and understanding unique thermophysical properties of novel ionic liquids for metal ion extraction, CO₂ capture, desulphurization of fuels and aqueous biphasic systems for the extraction of value-added products. Further, the effects of thermophysical properties of ionic liquids on these applications and current research trends on ionic liquids as solvents for the chemical industry will be discussed.

16:45: [SolutionChemistryWedPM211] OS
COMPLEXATION of CINNAMIC ACID by CUCURBIT[7]URIL for ENHANCING PHOTOISOMERISATION CONVERSION
Na'il Saleh¹ ; ¹United Arab Emirates University, Al-Ain, United Arab Emirates;
Paper Id: 23 [Abstract]

The paper presents the supramolecular control of photoisomerization reactions of cinnamic acid (CA), belonging to the class of α,β-unsaturated carbonyl compounds, utilizing the rigid cavity of cucurbit[7]uril (CB7). Irradiation by UV light (300 and 254 nm) of an aqueous solution of the complex induces the E-to-Z-conformational change, as evidenced by UV-visible absorption spectroscopic and 1H-NMR techniques. CA and CB7 form a stable 1:1 host–guest complex with moderate binding constant (K = 3.3 x 103 M-1). The photo-switchable “on-off” host–guest system shows a higher reversibility and switching efficiency, when compared to the unbound molecules, which makes it potentially useful in designing photoresponsive gating systems. The results presented herein highlight the value of a supramolecular approach in achieving selectivity in photoreactions and opening reaction pathways that are latent in solution chemistry.

References:
REFERENCES:
[1] A. G. Mejuto, J. Morales, J. Rial-Otero, R., S. J. Gándara (2010). Factors controlling flavors binding constants to cyclodextrins and their applications in foods. Food Res. Int., 43 ( 2010) 1212-1218.

17:10: [SolutionChemistryWedPM212] OS
Statistical Thermodynamics Of Chemical Equilibrium In Non-Ideal Fluids: Hard Spheres, Square-Well And Coulombic Interactions
Nickolay Tkachev¹ ; Alexander Davydov² ; Ksenia Peshkina³ ; ¹Institute of High-Temperature Electrochemistry RAS, Ekaterinburg, Russian Federation; ²The Institute of High Temperature Electrochemistry of the Ural Branch of the Russian Academy of Sciences, Yekaterinburg, Russian Federation; ³IHTE RAS, Ekaterinburg, Russian Federation;
Paper Id: 147 [Abstract]

We present a statistical-thermodynamic description of the diversified influence of pairwise interactions on the position of chemical equilibrium in reactions of various types, such as the dimerization, the formation of heteronuclear molecules, and the complex formation in molten salts with di- and three-valent metals. Models of pair interactions from the simplest potential of hard spheres, through the potential with square well, to the potential of charged hard spheres with different ionic diameters were considered. The dumbbell shape for binary molecules is additionally taken into account and a significant diversity of deviations from ideality were described. The effects of the excluded volume on the shift of chemical equilibrium in binary systems containing the inert solvent have been analyzed [1]. With an increase in the size of the solvent particles, the character of the concentration dependence for the enthalpy of mixing changes from purely endothermic to sign alternative, which has a pronounced exothermic effect at low and medium concentrations. The association in binary hard-sphere liquids was considered taking into account the dumbbell-like shape of heteronuclear molecules [2]. The excess entropy for such a reacting mixture describes the most pronounced ordering with a larger difference in the diameters of monomers, but with a lower their fusion. The influence of attraction between particles on the position of dimerization equilibrium was estimated within the model of square well [3]. An amplification in the attraction between monomers leads to a shift in equilibrium towards the dissociation, while an amplification in the attraction between dimers contributes a shift in equilibrium towards the formation of dimerization products. The inclusion of interparticle attraction, especially between dimeric molecules, leads to an increase in the packing fraction. The evaluation of concentrations of the complex anionic (MX4)2‒ and (MX6)3‒ groups in molten salts have been performed [4, 5]. The calculation according to the ideal mass action law provides a significant overestimation of the concentration of complexes, at that the fraction of complexes is practically equal to the maximum possible (1/2) in the considered temperature range. We will demonstrate that in Coulombic systems there is a temperature threshold above which the complete dissociation of anionic complexes contained in pure and binary molten halides of two- and three- valent metals occurs. Thus, the deviations from ideality in various liquids play an important role can be described by using only a set of parameters characterizing the ratio of particle sizes in a mixture. The report will summarize all the results obtained by us up to date. The reported study was funded by RFBR, project number 18-03-00606.

References:
[1] K.G. Peshkina, N.K. Tkachev, J. Mol. Liq. 216 (2016) 856-861.
[2] A.G. Davydov, N.K. Tkachev, J. Mol. Liq. 242 (2017) 879-883.
[3] A.G. Davydov, N.K. Tkachev, J. Mol. Liq. 275 (2019) 91-99.
[4] K.G. Peshkina, N.K. Tkachev, Phys. Chem. Liq. 57 (2019) 768-778.
[5] N.K. Tkachev, K.G. Peshkina, Rus. J. Electrochem. 54 (2018) 433-441.

SESSION: SolutionChemistryWedPM3-R11	Marcus International Symposium (Intl. symp. on Solution Chemistry Sustainable Development)
Wed. 30 Nov. 2022 / Room: Game
Session Chairs: Ksenia Peshkina; Session Monitor: TBA

17:50: [SolutionChemistryWedPM313] OS
STATISTICAL THERMODYNAMICS OF CHEMICAL EQUILIBRIUM IN NON-IDEAL LIQUIDS: HARD SPHERES, SQUARE-WELL AND COULOMBIC INTERACTIONS
Ksenia Peshkina¹ ; ¹IHTE RAS, Ekaterinburg, Russian Federation;
Paper Id: 146 [Abstract]

We present a statistical-thermodynamic description of the diversified influence of pairwise interactions on the position of chemical equilibrium in reactions of various types, such as the dimerization, the formation of heteronuclear molecules, and the complex formation in molten salts with di- and three-valent metals. Models of pair interactions from the simplest potential of hard spheres, through the potential with square well, to the potential of charged hard spheres with different ionic diameters were considered. The dumbbell shape for binary molecules is additionally taken into account and a significant diversity of deviations from ideality were described. The effects of the excluded volume on the shift of chemical equilibrium in binary systems containing the inert solvent have been analyzed [1]. With an increase in the size of the solvent particles, the character of the concentration dependence for the enthalpy of mixing changes from purely endothermic to sign alternative, which has a pronounced exothermic effect at low and medium concentrations. The association in binary hard-sphere liquids was considered taking into account the dumbbell-like shape of heteronuclear molecules [2]. The excess entropy for such a reacting mixture describes the most pronounced ordering with a larger difference in the diameters of monomers, but with a lower their fusion. The influence of attraction between particles on the position of dimerization equilibrium was estimated within the model of square well [3]. An amplification in the attraction between monomers leads to a shift in equilibrium towards the dissociation, while an amplification in the attraction between dimers contributes a shift in equilibrium towards the formation of dimerization products. The inclusion of interparticle attraction, especially between dimeric molecules, leads to an increase in the packing fraction. The evaluation of concentrations of the complex anionic (MX4)2‒ and (MX6)3‒ groups in molten salts have been performed [4, 5]. The calculation according to the ideal mass action law provides a significant overestimation of the concentration of complexes, at that the fraction of complexes is practically equal to the maximum possible (1/2) in the considered temperature range. We will demonstrate that in Coulombic systems there is a temperature threshold above which the complete dissociation of anionic complexes contained in pure and binary molten halides of two- and three- valent metals occurs. Thus, the deviations from ideality in various liquids play an important role can be described by using only a set of parameters characterizing the ratio of particle sizes in a mixture. The report will summarize all the results obtained by us up to date.

References:
[1] K.G. Peshkina, N.K. Tkachev, J. Mol. Liq. 216 (2016) 856-861.
[2] A.G. Davydov, N.K. Tkachev, J. Mol. Liq. 242 (2017) 879-883.
[3] A.G. Davydov, N.K. Tkachev, J. Mol. Liq. 275 (2019) 91-99.
[4] K.G. Peshkina, N.K. Tkachev, Phys. Chem. Liq. 57 (2019) 768-778.
[5] N.K. Tkachev, K.G. Peshkina, Rus. J. Electrochem. 54 (2018) 433-441.

18:15: [SolutionChemistryWedPM314] OS
Molecular mechanism of the magnetic effects for elucidating magneto-chemistry of genes
Viacheslav Mikhailovich Tyutyunnik¹ ; Anatoly L. Buchachenko² ; ¹International Nobel Information Centre (INIC), Tambov, Russian Federation; ²Institute of Chemical Physics, Russian Academy of Sciences, Moscow, Russian Federation;
Paper Id: 320 [Abstract]

The invasion of nuclear magnetic isotopes of magnesium, calcium, and zinc in enzymatic catalysis discovered new facets of gene chemistry related to magnetism [1-3]. Numerous experimental observations convincingly demonstrate that the genes are sensitive to the magnetic fields, both permanent and oscillating [4]. The focus of this paper is placed on the molecular mechanism of the magnetic effects as a means for elucidating magneto-chemistry of genes, for understanding and using magnetic effects in medicine. The loading of polymerases with 25Mg2+, 43Ca2+, and 67Zn2+ ions carrying magnetic nuclei instead of 24Mg2+, 40Ca2+, and 64Zn2+ ions with nonmagnetic nuclei disclosed a huge isotope effect: the former ions suppress DNA synthesis by 3-5 times with respect to the latter ions. The effect certifies new, enzymatic radical pair mechanism (ERPM), which includes electron transfer from the growing DNA chain to the catalyzing ion. This mechanism is induced by compression of the catalytic site in the DNA polymerases; the compression removes water molecules from the site and partly dehydrates catalyzing ions, switching on electron transfer and ERPM. The key processes of gene functioning (DNA synthesis, DNA damage, and DNA repair) are shown to be magnetically controlled and mechanism of the control is physically substantiated [5]. A new anti-cancer strategy is suggested based on the using of the nuclear magnetic ions of magnesium, calcium, and zinc as a powerful and universal means to selectively kill only cancer cells; they are supposed to be highly promising for medical applications. Both magnetic isotope and magnetic field effects convincingly demonstrate that the three processes – the DNA synthesis, which elongates DNA chains and creates genes; the cleavage, the scission of DNA chains which produces DNA damage and destroys genes; and the DNA repair – are magnetically vulnerable and result to the total magnetic control of genes.

References:
REFERENCES:
[1] A.L Buchachenko, Magneto-biology and medicine. Nova Science Publishers: New York, 2014.
[2] A.L. Buchachenko, Bioelectromagnetics, 37 (2016) 1-13.
[3] X. Liu, X. Yan, S. Zhang, Z. Liu, T. Win, L., J. Bionic Eng., 18 (2021) 210–237.
[4] U.G. Letuta, V.L. Berdinskiy, C. Udagawa, Y. Tanimoto, Bioelectromagnetics, 38 (2017) 511–521.
[5] A.L. Buchachenko, D.A. Kouznetsov, S.E. Arkhangelsky, M.A. Orlova, A. Markaryan, Proc. Natl. Acad. Sci. USA, 102 (2005) 10793–10796.

SESSION: OxidativeMonAM-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Mon. 28 Nov. 2022 / Room: Ballroom B
Session Chairs: Toshikazu Yoshikawa; Haruhiko Inufusa; Session Monitor: TBA

11:30: [OxidativeMonAM01] OS Plenary
From medicine to free radical research
Toshikazu Yoshikawa¹ ; ¹Louis Pasteur Center, Kyoto, Japan;
Paper Id: 522 [Abstract]

Free radical reactions play an important role in the biological system. In particular, oxygen-derived free radicals are sometimes used as an energy source for organisms that use oxygen to live, and also as a weapon to attack foreign objects at one stage. This reaction that works in the body is called ‘oxygen stress’, and I have devoted my life to this research. The contents of the research can be broadly divided into two. One of them is pathophysiological research as a cause of disease, and I have been researching disease prevention with antioxidants. Contrarily, the other research is to use this powerful oxidation reaction to defeat external enemies such as cancer, viruses, and bacteria. We still cannot prevent many diseases and cure them even with these series of studies. I shall continue my research toward the solution of this proposition.

11:55: [OxidativeMonAM02] OS Plenary
Antioxidant treatment for Sleep Apnea
Haruhiko Inufusa¹ ; Fuhua Yang² ; Naomi Okada³ ; Toshikazu Yoshikawa⁴ ; ¹TIMA, Gifu, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Gifu University, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 424 [Abstract]

The number of severely ill patients requiring treatment for sleep apnea syndrome (SAS) is estimated to be over 9 million in Japan and 400 million worldwide. The Space Shuttle Challenger tragedy and the Exxon Valdez maritime accident were caused by SAS, resulting in significant global economic losses. The only effective treatment currently available is CPAP, a forced-air ventilator worn during sleep, which is often discontinued by patients due to its complexity and noise.<br />About 70% of SAS patients have elevated mCRP and oxidative stress in their blood, indicating inflammation somewhere in the body.　Twendee X (TWX) is a very strong antioxidant composition and reduces inflammation which contains L-glutamine, ascorbic acid (VC), L-cystine, coenzyme Q10, succinic acid, fumaric acid, vitamin B2, and niacin. Clinical research of SAS using TWX for SAS was conducted at Takashima Clinic, Utsunomiya Japan. A survey of SAS patients was also conducted at Eyez Inc.The number of snoring as a major symptom of SAS was monitored. 2 weeks of treatment with TWX significantly reduced the number of snoring in 3 out of 5 patients, and 4 weeks of treatment significantly reduced the number of snoring in all 5 patients. 4 weeks of treatment with TWX showed the following effects in 30 SAS patients. TWX reduced snoring by 85%, nighttime waking phenomenon by 84%, deep sleep by 91%, daytime sleepiness by 84%, apnea by 85%, and headache upon awakening by 96%.<br />TWX is a supplement with no side effects and can be safely taken by children, suggesting that it may be effective for about 80% of SAS patients.

References:
1). Novel compositions and uses thereof WO 2008071790 A3\n2). Antioxidant composition and its use in diabetes EP 1932542 A1\n3). Pretreatment Twendee X® reduced acute ischemic brain damage. Kusaki M, Inufusa H, Abe K, JSCVD 2017; 26: 1191-1196\n4). Clinical and Pathological Benefit of Twendee X in Alzheimer's Disease Transgenic Mice with Chronic Cerebral Hypoperfusion. Liu Xia, Yamashita T, Abe K, et al. J Stroke Cerebrovasc Dis. 2019 Jul;28(7):1993-2002.

12:20: [OxidativeMonAM03] OS
The antioxidant Twendee X and cancer treatment
Naomi Okada¹ ; Fuhua Yang² ; Taku Nakashima³ ; Haruhiko Inufusa⁴ ; Toshikazu Yoshikawa⁵ ; ¹Gifu University, Gifu, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Department of Molecular and Internal Medicine, Graduate school of Biomedical & Health sciences, Hiroshima University, Hiroshima, Japan; ⁴TIMA, Gifu, Japan; ⁵Louis Pasteur Center, Kyoto, Japan;
Paper Id: 124 [Abstract]

As examples of cancer treatment, immunotherapy is now widely recognized as a powerful cancer therapy in addition to conventional therapies such as operation, chemotherapy and radiotherapy. Although they are all effective treatments, chemotherapy and radiotherapy, which take advantage of small differences between cancer cell (tumor cell) and normal cell, damage normal cells as well as cancer cells. As a result, adverse events are almost inevitable and are often difficult to continue treatment depending on the degree. 　As these treatments are administered over months or years, physical and mental damage accumulate, leading to a decline in physical strength and immunity. These adverse events are largely due to oxidative stress. That is, the tumor itself, and reactive oxygen species (ROS) generated by treatment for it, can cause damage to various cells due to oxidative stress. And oxidative stress can cause a decline in physical strength and immunity, which leads to tumor growth and a negative spiral. Thus, suppression of oxidative stress in tumor and cancer treatment may be very effective in not only alleviating symptoms but also prolonging prognosis. Since oxidative stress-mediated mechanisms of carcinogenesis also exist, suppression of oxidative stress may help to prevent cancer. An antioxidant compound Twendee X (TWX) which composed of vitamins, amino acids, and CoQ 10 is rated as the strongest and safe antioxidant in the world by ICDD (France). Cytoprotective effects of TWX against radiation exposure were examined using murine alveolar epithelial cells (LA-4). After allowing LA-4 cells to adhere, 25ug/ml of TWX was added in the medium. The cells were irradiated with 30Gy of radiation 2 hours after the addition, and after 72 hours, the effect on cell proliferative capacity was examined. The result showed that TWX significantly inhibited the radiation-induced decrease in cell proliferative capacity. In addition, TWX can be used in single and continuous doses in both healthy and pregnant mice and also increased NK activity, which is tumor immunity. In summary, TWX not only reduced adverse events during cancer treatment but also increased tumor immunity. We believe TWX can be an aid in the treatment and prevention of cancer.

References:
1. Novel compositions and uses thereof WO 2008071790 A3
2. Antioxidant composition and its use in diabetes EP 1932542 A1
3. Suplatast tosilate reduces radiation-induced lung injury in mice through suppression of oxidative stress. Yusuke Izumi, Taku Nakashima, Noboru Hattori, Free Radic Biol Med.2019;136:52-59
4. Balancing efficacy of and host immune responses to cancer therapy:the yin and yang effects. Shbaked Y, Nat Rev Clin Oncol.2016 Oct;13(10):611-26.
5. Systematic Review: Generating Evidence-Based Guidelines on the Concurrent Use of Dietary Antioxidants and Chemotherapy or Radiotherapy. Akiko Nakayama, Karen P, Obianuju Lgbokwe, and Leffrey D. white. Cancer Invest. 2011 Dec:29(10): 655-667.

12:45: [OxidativeMonAM04] OS Keynote
Oxidative stress is major cause of allergic reaction in COVID-19 infection
Haruhiko Inufusa¹ ; Fuhua Yang² ; Naomi Okada³ ; Toshikazu Yoshikawa⁴ ; ¹TIMA, Gifu, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Gifu University, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 123 [Abstract]

Oxidative stress and immune activity are closely related with disease or symptoms. Allergic reaction depending on imbalance of immune system which is easy to be damaged by oxidative stress. COVID-19 pneumonia starts at the lower and back side of lung, and CT scan shows typical interstitial pneumonia. Interstitial pneumonia is kind of allergic reaction, thus pneumonia start high blood flow area of lung and very rapidly spread to the whole lung. It is well known that interstitial pneumonia shows extremely high oxidative stress, damages lung tissue, and some patients show irreversible damage of the lung. High risks of COVID-19 infection are high age with underlying disease, especially diabetes mellitus, obesity, heart disease, hypertension, after stroke, cancer, neurogenic disorder, dementia and so on. All these risk factors show extremely high oxidative stress. Oxidative stress damages vascular endothelium and inflammation of vascular wall produces thrombosis, which are reasons of Kawasaki disease like vasculitis and cerebral infraction. Oxidative stress plays a major role in these symptoms.

References:
1. Novel compositions and uses thereof WO 2008071790 A3
2. Antioxidant composition and its use in diabetes EP 1932542 A1

SESSION: OxidativeMonPM1-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Mon. 28 Nov. 2022 / Room: Ballroom B
Session Chairs: Fuhua YANG; Yoshiaki Harakawa; Session Monitor: TBA

14:00: [OxidativeMonPM105] OS Plenary
Antioxidant treatment for infertility
Haruhiko Inufusa¹ ; Fuhua Yang² ; Naomi Okada³ ; Toshikazu Yoshikawa⁴ ; ¹TIMA, Gifu, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Gifu University, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 122 [Abstract]

The decline in fertility is a major problem in many countries, especially in Japan, where the total fertility rate in 2018 is 1.42. Half of infertility couples have male causes, and the other half have female causes. Oxidative stress can be a major cause of infertility. There are many reports that the number of spermatozoa is decreased by mobile phone that emits electromagnetic waves that cause oxidative stress in the pocket near the testicle, resulting in a decrease in motility. The decline in pregnancy rates with age in women is partly due to the firmness of the egg membrane due to oxidative stress.
Administration of an antioxidant composition would increase the pregnancy rate was examined. The monitor questionnaire was conducted by EYEZ,INC., which is a third-party institution, and the permission for secondary use of the results listed on the company's website (public data) was obtained. Twendee Mtcontrol (TwM) was used as antioxidant composition, which contains L-glutamine, ascorbic acid (VC), L-cystine, coenzyme Q10, succinic acid, fumaric acid, vitamin B2, niacin, Pantothenic acid, thiamine (VB1), pyridoxamine (VB6), folic acid, biotin, vitamin B12, lactoferrin. Twenty-eight couples who had been infertile for more than 2 years and wanted to raise their children joined the monitor questionnaire. For 1 year, both couples took TwM and their pregnancy was monitored. As a result, 9 pairs became pregnant, and the rate was 32% (9/28). Pregnancy rate is about 16% for a couple of more than two years of infertility when they receive infertility treatment at hospital. TwM showed almost 3 times higher pregnancy rate than infertility treatment at hospital. The possibility of antioxidant treatment for infertility was suggested.

References:
1.Novel compositions and uses thereof WO 2008071790 A3\n2.Antioxidant composition and its use in diabetes EP 1932542 A1\n3.Pretreatment Twendee X® reduced acute ischemic brain damage. Kusaki M, Inufusa H, Abe K, JSCVD 2017; 26: 1191-1196\n4.Clinical and Pathological Benefit of Twendee X in Alzheimer's Disease Transgenic Mice with Chronic Cerebral Hypoperfusion. XiaLiu, Abe K https://doi.org/10.1016/j.jstrokecerebrovasdis.2019.03.029

14:25: [OxidativeMonPM106] OS
Enterococcus faecalis FK-23 may improve the bactericidal activity of human neutrophils via ROS production and phagocytosis
Hiroshi Ichikawa¹ ; Ryoga Higaki² ; Yukiko Minamiyama³ ; Toshikazu Yoshikawa⁴ ; ¹Major of Medical Life Systems, Graduate School of Life and Medical Sciences, Doshisha University, Kyotanabe City, Japan; ²Major of Medical Life Systems, Graduate School of Life and Medical Sciences, Doshisha University, Kyotanabe City, Kyoto, Japan; ³Kyoto Prefectural University, KYoto, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 104 [Abstract]

[Purpose] Many studies have shown the importance of keeping oral health to prevent various diseases. Neutrophils (PMNs) play an important role to keep oral health by its bactericidal activity such as reactive oxygen species (ROS) production and phagocytosis. We investigated the effects of lysed and heat-treated <i>Enterococcus faecalis</i> FK-23 (LFK) on ROS production and phagocytosis of human PMNs and its mechanism. [Method] I. PMNs (1x10⁶ cells/ml) isolated from peripheral blood were stimulated with water-soluble LFK (5 mg/ml) and/or phorbol 12-myristate 13-acetate (PMA). Furthermore, the mechanism of ROS production was examined using each inhibitor. Then, ROS production was measured by MCLA-dependent chemiluminescence for a total 300s time. II. PMNs (1x10⁶ cells/ml) were incubated for 1h at 37℃ with/without LFK. Then, carboxylate-modified fluorescent beads were added to PMNs suspension and incubated for 30 min at 37℃. After that, phagocytosis was measured by flow cytometry. [Results and Conclusion] LFK transiently increased ROS production from PMNs without change in total amounts. This effect was decreased by some inhibitors of mitochondrial complex and protein kinase C (PKC) inhibitor. Thus, LFK might increase the reactivity of PMNs via PKC by enhancing mitochondrial functional ability or phagocytosis ability. These results suggest that LFK may increase bactericidal activity of PMNs to improve oral health.

15:15: [OxidativeMonPM108] OS
Effect of antioxidant Twendee X on radiation-induced oxidative stress
Yoshiaki Harakawa¹ ; Fuhua Yang² ; Toshikazu Yoshikawa³ ; Haruhiko Inufusa⁴ ; ¹Division of Anti-oxidant Research, Gifu University, Gifu, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Louis Pasteur Center, Kyoto, Japan; ⁴TIMA, Gifu, Japan;
Paper Id: 418 [Abstract]

It is known that when a living organism is exposed to radiation, water molecules in the body ionize, producing reactive oxygen species, which in turn cause inflammation.<br />Twendee X (TwX) is an antioxidant supplement consisting of eight ingredients (coenzyme Q10, vitamin C, vitamin B2, niacin, L-cystine, succinic acid, fumaric acid, and L-glutamine). We investigated whether TwX and other substances can inhibit oxidative stress generated by radiation.<br />C57BL/6J mice were orally administered the test substance TwX (15 mg/kg) for 3 days at 24-hour intervals, irradiated with 6 Gy of radiation on the fourth day, and blood samples were taken 72 hours later, and survival was observed as is. Vitamin C (15 and 150 mg/kg), Resveratrol, Astaxanthin, Protandim, and Pycnogenol were used as antioxidants for comparison to TwX. Plasma hydroperoxide level was measured as blood oxidative stress (d-ROMs test).<br />Increased d-ROMs test value by radiation was reduced by one third in the group treated with TwX (15 mg/kg) before irradiation for 3 days (t-test, p<0.05), and the oxidative stress level was lower in the group treated for 7 days than in normal mice. In addition, the administration of TWX suppressed radiation-induced deaths.<br />Vitamin C (150 mg/kg) and Astaxanthin treatment groups reduced d-ROMs test values, but the difference was not statistically significant. The low concentrations of vitamin C (15 mg/kg), Pycnogenol, and Protandim did not change the d-ROMs test values compared to the control group, and for the Resveratrol group, the d-ROMs test values increased compared to the control group. Furthermore, Twendee Mtcontrol (TwM), which added seven active ingredients to TwX, reduced radiation-related deaths with fewer doses than TwX.<br />TwX significantly reduced radiation-induced oxidative stress at a small dose of 15 mg/kg, while other single antioxidants with normal amount have no significant improvement in animal radiation model. High dose antioxidants may cause side effects. TwX, TwM are composed only of substances that exist in the human body, and a small dose of them showed high antioxidant activity. This may have reduced inflammation caused by oxidative stress, ultimately leading to an increase in survival rate. The antioxidant potential of Twendee series in this experiment suggests the possibility of future applications for various oxidative stress-related diseases.

References:
[1] Tadokoro K, et al. Clinical Benefits of Antioxidative Supplement Twendee X for Mild Cognitive Impairment: A Multicenter, Randomized, Double-Blind, and Placebo-Controlled Prospective Interventional Study. J Alzheimers Dis. 2019;71(3):1063-1069.\n[2] Yamamoto T, Kinoshita M, Shinomiya N, Hiroi S, Sugasawa H, Matsushita Y, Majima T, Saitoh D, Seki S. Pretreatment with ascorbic acid prevents lethal gastrointestinal syndrome in mice receiving a massive amount of radiation. J. Radiat. Res., 2010. 51, 145-156．\n[3] Yoshikawa T, et al. [All about Free Radicals – from Health to Environmental Pollution -] Kasseisanso , Free Radical no subete – Kennkou kara kannkyouosen made – (in Japanese), Maruzen Publishing, 2000, 78-79.\n[4] Seki Y. [Evaluation of total oxidative stress by d-ROMs testing] d-ROMs test niyoru sankasutoresu sougouhyouka (in Japanese). Seibutsu siryou bunseki (Journal of analytical bio-science), 2010. 32(4), 301-306.

SESSION: OxidativeMonPM2-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Mon. 28 Nov. 2022 / Room: Ballroom B
Session Chairs: Alexander Oleinick; Christian Andre Amatore; Session Monitor: TBA

15:55: [OxidativeMonPM209] OS Plenary
Understanding Oxidative Stress in Brain with Ultramicroelectrodes: Implications for a Possible Mechanism of Alzheimer Disease
Christian Andre Amatore¹ ; ¹CNRS & PSL, French Academy of Sciences, Paris, France;
Paper Id: 444 [Abstract]

Oxidative stress is an essential metabolic outcome in aerobic organisms due to the activity of mitochondria in providing the basic energy of cells or during the operation of several enzymatic pools. It also serves to regulate the size and shape of organs or restructure them during foetal development by apoptosis. Oxidative stress is also indispensable to the immune system by allowing macrophages to eliminate virus, bacteria and impaired or dead cells through phagocytosis [1]. In fact, no aerobic organism could live without oxidative stress, a fact that explains why evolution maintained such unsafe mechanisms in aerobic organisms. Though, they are associated to highly negative issues. Indeed, oxidative stress mechanisms provide a variety of life-harmful radicals and species called generically Reactive Oxygen Species (ROS) and Reactive Nitrogen Species (RNS) whose fluxes need to be finely controlled to avoid the destruction of most organic molecules (e.g., lipids in cell membranes, enzymes, etc.) and biological ones (DNA, proteins, etc.) in cells. Thus, under normal conditions, a panoply of antioxidants and enzymatic systems ensures a fine homeostatic balance. However, rupture of this delicate balance is frequent and may provoke severe damages leading to human pathologies (aging, cancers, AIDS, hearth and brain strokes, Parkinson and Alzheimer’ diseases, etc.). Using platinized carbon fiber ultramicroelectrodes we could establish that the composition of the primary oxidative stress in macrophages [1,2] and characterize the nature of functional hyperemia in the brain.3 This led us to formulate an alternative hypothesis about the onset of Alzheimer disease when Amyloid-β and ascorbate molecules are present [4,5].

References:
References
1. K. Hu, Y. Li, S.A. Rotenberg, C. Amatore, M.V. Mirkin. J. Am. Chem. Soc., 141, 2019, 4564-4568.
2. C Amatore, S. Arbault, M. Guille, F. Lemaître. Chem. Rev., 108, 2008, 2585–2621.
3. C. Amatore, S. Arbault, C. Bouton, K. Coffi, J.-C. Drapier, H. Ghandour, Y. Tong. ChemBioChem, 7, 2006, 653-661.
4. R. Giacovazzi, I. Ciofini, L. Rao, C. Adamo, C. Amatore, Phys. Chem. Phys. Chem. (PCCP), 16, 2014, 10169-10174.
5. L. Lai, C. Zhao, M. Su, X. Li, X. Liu, H. Jiang, C. Amatore, X.M. Wang. Biomater. Sc., 4, 2016, 1085-1091.

16:20: [OxidativeMonPM210] OS
Nanometer-sized electrochemical probes for intracellular measuring ROS/RNS in single cells and cellular organelles
Christian Andre Amatore¹ ; Keke Hu² ; Alexander Oleinick³ ; Irina Svir⁴ ; Wei-hua Huang⁵ ; Yan-ling Liu⁵ ; ¹CNRS & PSL, French Academy of Sciences, Paris, France; ²Goteborg University, Gothenburg, Sweden; ³CNRS, Paris, France; ⁴Ecole Normale Superieure, Department Chemistry, PARIS, France; ⁵Wuhan University, Wuhan, China;
Paper Id: 445 [Abstract]

Oxidative stress conditions are encountered by all aerobic organisms during their whole life. Indeed, aerobic cells mostly derive their energy from the intracellular enzyme-catalyzed oxidation of fat and sugars to CO2. Also, metalloenzymes which are central actors of the respiratory chain in mitochondria are generally good reducing agents, prone to open side routes leading to O2 reduction to superoxide ion (O2•-) that is the precursor of a series of hazardous species collectively named as “reactive oxygen species (ROS)” and “reactive nitrogen species (RNS)” [1,2]. ROS and RNS may induce molecular damages to almost all organic compounds performing biological functions (nucleic acids, proteins, cells carbohydrates and lipids, etc.) – a situation termed “oxidative stress” when it runs out of control. Even without exposure to radiation or other photo-biological effects, oxidative stress can bring about such pathological conditions as inflammation, carcinogenesis, Parkinson and Alzheimer diseases, and various autoimmune illnesses, as well as accelerated ageing. The primary ROS/RNS, viz., hydrogen peroxide, peroxynitrite ion, nitric oxide, and nitrite ion, can be oxidized at different electrode potentials and therefore detected and quantified by electroanalytical techniques [3]. Nanometer-sized electrochemical probes with cylindrical shapes do not experience this problem since they can penetrate across the cell membranes that reseal around their shaft (7). They are then especially suitable for measuring ROS/RNS in single cells and cellular organelles. In this paper, we will survey recent advances in localized measurements of ROS/RNS inside single cells. Application of this method will be presented for detection of ROS/RNS in phagolysosomes during phagocytosis by macrophages (4,5). We will also evidence using these methods that remediation of Oxidative Stress in neurons artificially placed under Parkinson Disease conditions avoids the impeachment of synaptic communication when the neurons are pre-treated with Harpagide, a natural sugar derivative which alleviate the oxide stress borne by mitochondria (9).

References:
References:
(1) B. Halliwell, J.M.C. Gutteridge, Free Radicals in Biology and Medicine, 3rd ed., Oxford University Press, Oxford, 1999.
(2) F. Murad: Discovery of Some of the Biological Effects of Nitric Oxide and its Role in Cell Signaling. Nobel Lecture for Medicine, 1998, https://www.nobelprize.org/uploads/2018/06/murad-lecture.pdf
(3) C Amatore, S. Arbault, M. Guille, F. Lemaître: Electrochemical monitoring of single cell secretion: vesicular exocytosis and oxidative stress. Chem. Rev. 108 (2008) 2585–2621.
(4) K. Hu, Y.L. Liu, A. Oleinick, M.V. Mirkin, W.H. Huang, C. Amatore: Nanoelectrodes for Intracellular Measurements of Reactive Oxygen and Nitrogen Species in Single Living Cells. Curr. Opin. Electrochem., 22, 2020, 44-50, and refs therein.
(5) Y.T. Qi, H. Jiang, W.T. Wu, F.L. Zhang, S.Y. Tian, W.T. Fan, Y.L. Liu, C. Amatore, W.H. Huang: Homeostasis Inside Single Activated Phagolysosomes: Quantitative and Selective Measurements of sub-Millisecond Dynamics of ROS/RNS Production with a Nanoelectrochemical Sensor. J. Am. Chem. Soc., 144, 2022, 9723-9733.

16:45: [OxidativeMonPM211] OS
Modelling detection of key biomolecules with enzymatic electrodes: Diffusion towards randomly distributed active sites
Giovanni Pireddu¹ ; Irina Svir² ; Alexander Oleinick³ ; Christian Andre Amatore⁴ ; ¹CNRS, Ecole Normale Superieure, Sorbonne University, Paris, France; ²Ecole Normale Superieure, Department Chemistry, PARIS, France; ³CNRS, Paris, France; ⁴CNRS & PSL, French Academy of Sciences, Paris, France;
Paper Id: 446 [Abstract]

Monitoring of key biomolecules and/or oxidative stress at cellular or sub-cellular levels by means of electrochemistry requires electrodes with good selectivity and sensitivity. These both characteristics often achieved by employing enzymatic electrodes. At these electrodes the enzymes are generally dispersed within a polymer layer covering electrode surface, where product(s) of the enzymatic conversion are detected. Rationalization of the experimental data imply understanding mass transport towards an enzymatic electrode which is a complicated process due to random distribution of the enzymes along the electrode surface. This process can be considered through the framework of random arrays, that is a set of active sites distributed randomly, which is also useful for description of many practical micro- and nanoscale systems [1]. As shown previously these systems can be efficiently addressed theoretically by using Voronoi diagrams [1, 2] which allows facile tessellation of the system into the unit cells around each active sites. The overall current flowing in the system can then be evaluated by modelling diffusion-reaction processes inside every unit cell and summing the contributions from individual active sites. Although this approach is tempting by its simplicity and efficiency [1] one should bear in mind that Voronoi diagram representing the unit cells by polygonal prisms remains approximation and as each approximation remains valid only under certain conditions. We have shown [3] that even for the case of diffusion limited electron transfer (ET) the actual shapes of the unit cells are more complicated and depend on the local configuration of the neighbouring active sites. This was exemplified on the small patches of the random arrays with band-like and disk-like active sites via simulations and analytical derivations. Importantly, by comparing the total and individual electrode currents obtained by employing Voronoi tessellation and simulation of the system without any approximations we found that the former are reproduced with a good accuracy while the latter are evaluated with a much larger relative error [3], thus demonstrating the limits of Voronoi tessellation for representation of such systems. Moreover, diffusion interaction between the neighbouring sites compensate the differences in unit cell sizes leading to a more uniform unit cell sizes then predicted by Voronoi tessellation [4]. This, in particular explains why the early theory of random arrays using uniform representation of the system were quantitatively successful [5].

References:
[1] O. Sliusarenko, A. Oleinick, I. Svir, C. Amatore. J. Electrochem. Soc. 167, 2020, 013530.
[2] T. J. Davies and R. G. Compton. J. Electroanal. Chem. 585, 2005, 63.
[3] G. Pireddu, I. Svir, C. Amatore, A. Oleinick, ChemElectroChem 8, 2021, 2413.
[4] G. Pireddu, I. Svir, C. Amatore, A. Oleinick, Electrochim. Acta 365, 2021, 137338.
[5] C. Amatore, J.-M. Savéant, D. Tessier, J. Electroanal. Chem. 147, 1983, 39.

17:10: [OxidativeMonPM212] OS
Modeling of quantitative nano-amperometric measurement of sub-quantal glutamate release by living neurons
Giovanni Pireddu¹ ;⁰ ; Xiaoke Yang² ; Fu-li Zhang² ; Yan-ling Liu² ; Irina Svir³ ; Alexander Oleinick⁴ ; Wei-hua Huang² ; Christian Andre Amatore⁵ ; ¹CNRS, Ecole Normale Superieure, Sorbonne University, Paris, France; ²Wuhan University, Wuhan, China; ³Ecole Normale Superieure, Department Chemistry, PARIS, France; ⁴CNRS, Paris, France; ⁵CNRS & PSL, French Academy of Sciences, Paris, France;
Paper Id: 447 [Abstract]

Glutamate (Glu) is a crucial fundamental excitatory neurotransmitter released through vesicular exocytosis in the central nervous system. Dysregulation of the glutamate uptake by neurons and glial cells result in increase of the glutamate extracellular concentration leading eventually to excitotoxicity associated with increased oxidative stress and neurodegeneration [1]. Hence, quantitative measurements and interpretation of intravesicular Glu and of transient exocytotic release contents directly from individual living neurons are highly desired for understanding the mechanisms (full or sub-quantal release?) of synaptic transmission and plasticity. However, this could not be achieved so far due to the lack of adequate experimental strategies relying on selective and sensitive Glu nanosensors. We will show that a novel electrochemical Glu nanobiosensor based on a single SiC nanowire [2] is prone to selectively measure in real-time Glu fluxes released via exocytosis by large Glu vesicles (ca. 125 nm diameter) present in single hippocampal axonal varicosities as well as their intravesicular content before exocytosis by IVIEC. Combination of these two series of measurements revealed a sub-quantal release mode in living hippocampal neurons, viz., only ca. one third to one half of intravesicular Glu molecules are released by individual vesicles during exocytotic events. Importantly, this fraction remained practically the same when hippocampal neurons were pretreated with L-Glu-precursor L-glutamine, while it significantly increased after zinc treatment, although in both cases the intravesicular contents before release were drastically affected. Finally, the simulations of the electrochemical monitoring of the glutamate release events will be presented. The obtained theoretical results support the quantitative measurements with the enzymatic electrode. In addition, simulation results will also serve to discuss the meaning and adequacy of pre-calibrations performed in bulk solutions [3] to assess the analytical properties of enzyme-based electrochemical nanosensors aimed to detect fast transient release events.

References:
[1] A.A. Kritis et al. Front. Cell. Neurosci. 9 (2015) 91.
[2] X. Yang, et al. Angew. Chem. Int. Ed. 60 (2021) 15803–15808.
[3] C.P. McMahon, et al. Analyst 131 (2006) 68–72.

SESSION: OxidativeMonPM3-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Mon. 28 Nov. 2022 / Room: Ballroom B
Session Chairs: Christian Andre Amatore; Session Monitor: TBA

17:50: [OxidativeMonPM313] OS Plenary
Cellular energy homeostasis in neurodegeneration and ageing
Nektarios Tavernarakis¹ ; ¹University of Crete, Heraklion, Greece;
Paper Id: 504 [Abstract]

Ageing is driven by the inexorable and stochastic accumulation of damage in biomolecules vital for proper cellular function. Although this process is fundamentally haphazard and uncontrollable, senescent decline and ageing is broadly influenced by genetic and extrinsic factors. Numerous gene mutations and treatments have been shown to extend the lifespan of diverse organisms ranging from the unicellular Saccharomyces cerevisiae to primates. It is becoming increasingly apparent that most such interventions ultimately interface with cellular stress response mechanisms, suggesting that longevity is intimately related to the ability of the organism to effectively cope with both intrinsic and extrinsic stress. Key determinants of this capacity are the molecular mechanisms that link ageing to main stress response pathways, and mediate age-related changes in the effectiveness of the response to stress. How each pathway contributes to modulate the ageing process is not fully elucidated. A better understanding of the dynamics and reciprocal interplay between stress responses and ageing is critical for the development of novel therapeutic strategies that exploit endogenous stress combat pathways against age-associated pathologies. Mitochondria, the indispensable and highly dynamic, energy-generating organelles in all eukaryotic cells, play essential roles in fundamental cellular processes. Neuronal cells depend, perhaps more than any other cell type, on proper mitochondrial function. Mitochondrial impairment is a major hallmark of several age-related neurodegenerative pathologies, including Alzheimer’s disease. Interestingly, accumulation of damaged mitochondria has been observed in post-mortem brain of Alzheimer’s disease patients. Mitophagy is a selective type of autophagy mediating elimination of damaged mitochondria, and the major degradation pathway, by which cells regulate mitochondrial number in response to their metabolic state. However, little is known about the role of mitophagy in the pathogenesis of Alzheimer’s disease. Although disease-associated tau and amyloid β are known to deregulate mitochondrial function, it remains elusive whether they also directly influence the efficiency of mitophagy. To address this question, we developed an in vivo imaging system to monitor mitophagy in neurons. We demonstrated that neuronal mitophagy is impaired in C. elegans models of Alzheimer’s disease. Urolithin A- and nicotinamide mononucleotide-induced mitophagy ameliorates several pathological features of Alzheimer’s disease, including cognitive defects. Mitophagy stimulation restores memory impairment. Age-dependent decline of mitophagy both inhibits removal of dysfunctional or superfluous mitochondria and impairs mitochondrial biogenesis resulting in progressive mitochondrial accretion and consequently, deterioration of cell function. Our findings suggest that impaired removal of damaged mitochondria is a pivotal event in Alzheimer’s disease pathogenesis highlighting mitophagy as a potential therapeutic intervention.

18:15: [OxidativeMonPM314] OS
A Prospective, Placebo-Controlled, Double-Blind Study to evaluate the impact of NMN (Nicotinamide Mononucleotide) on Diabetic Patients with Impaired Physical Performance.
Hironori Nakagami¹ ; ¹Osaka University Graduate School of Medicine, Osaka, Japan;
Paper Id: 430 [Abstract]

Nicotinamide adenine dinucleotide (NAD+) is involved in regulating various biological processes and decreased with aging or oxidative stress [1]. Nicotinamide mononucleotide (NMN) increases intracellular NAD+ levels and counteracts age-associated changes [2,3]. We investigated the safety and efficacy of oral NMN supplementation (250 mg/day) in older diabetic patients with impaired physical performance.<br />We conducted a 24-week placebo-controlled, double-blind study for male diabetic patients aged 65 years or older with reduced grip strength (less than 26 kg) or reduced walking speed (lenn than 1.0 m/sec). We studied 14 participants aged 81.1±6.4 years. NMN was tolerable without any related severe adverse events. The changes in grip strength and walking speed showed no difference between the two groups; However, there were trends toward an improved prevalence of frailty in the NMN group (p=0.066) and different changes in central retinal thickness between the two groups (P=0.051). <br />In conclusion, in the present study performed on older male diabetic patients with physically impaired performance, a 24-week administration of 250 mg NMN was safe. Still, it did not affect grip strength or walking speed. However, a subanalysis indicated that NMN has the potential to improve frailty status and central retinal thickness. Directions to improve frailty and retinal thickness with NMN may be a further expected issue to be investigated.

References:
[1] Gomes AP, Price NL, Ling AJ, Moslehi JJ, Montgomery MK, Rajman L, White JP, Teodoro JS, Wrann CD, Hubbard BP, Mercken EM, Palmeira CM, de Cabo R, Rolo AP, Turner N, Bell EL, Sinclair DA. Cell 2013; 155: 1624-1638.\n[2] Yoshino J, Mills KF, Yoon MJ, Imai SI. Cell Metab 2011; 14: 528-536.\n[3] Yoshino M, Yoshino J, Kayser BD, Patti GJ, Franczyk MP, Mills KF, Sindelar M, Pietka T, Patterson BW, Imai SI, Klein S. Science 2021; 372: 1224-1229.

SESSION: MedicineTueAM-R1	Intl. Symp. on Technological Innovations in Medicine for Sustainable Development
Tue. 29 Nov. 2022 / Room: Ballroom B
Session Chairs: Nguyen Tran; Session Monitor: TBA

11:30: [MedicineTueAM01] OL Plenary
Modeling Induction of Neurofibrillary Tangle Formation in Alzheimer’s Disease
Jeff Kuret¹ ; ¹Ohio State University, Columbus, United States;
Paper Id: 402 [Abstract]

Tauopathies are neurodegenerative disorders characterized by the intracellular accumulation of filamentous aggregates composed of tau protein, with Alzheimer’s disease (AD) being the most prevalent example [1]. Recent cryo-electron microscopy (CryoEM) reports have revealed the polymorphic nature of these filaments, where tau protomers adopt disease-specific folds within the amyloid cores of each conformer [2]. Despite this conformational heterogeneity, each polymorph core consists of the microtubule repeat region of tau and contains at least one hexapeptide motif (i.e., PHF6 and PHF6* motifs) essential for initiating aggregation through a nucleation-dependent mechanism [3]. In addition to tau, the majority of disease-derived conformers copurify with undefined non-proteinaceous substances [2]. These interact with specific amino acids side chains, especially Lys, implying they have poly-anionic character. Whether non-proteinaceous materials influence tau nucleation and polymorphism or are merely trapped during aggregation is unknown. To clarify how anionic substances foster tau aggregation, full-length recombinant human 2N4R tau was fibrillized in the presence of Geranine G, a small-molecule dye. Resulting aggregates were then subjected to sedimentation, spectrophotometic and CryoEM analyses. The role of Lys residues in Geranine G-mediated induction was interrogated by Lys-to-Ala mutagenesis and in vitro aggregation assay. Sedimentation and spectrophotometric analysis showed that Geranine G remained stably associated with tau aggregates after induction (8.7 ± 0.6 mol/mol stoichiometry). Upon CryoEM analysis, 2D classification revealed the presence of multiple polymorphs. One species corresponding to a tau protofilment was solved at 3.3 Å resolution. The core region of this tau aggregate was not a perfect replica of any known polymorph but most closely resembled the heparin-induced synthetic protofilament and the kernal of three-layer tau aggregates isolated from human brain (e.g., globular glial tauopathy). The density map also captured densities for seven GG molecules in complex with it. Interactions were primarily through Lys residues via solvent separated ion pairing. Lys-to-Ala mutagenesis identified the binding pose associated with Lys317/Lys321 as making the greatest contribution to Geranine-G induced tau aggregation propensity. We propose two mechanisms for Geranine G-mediated induction of 2N4R tau aggregation. First, GG neutralizes the net positive charge of tau protein. This effect is likely nonspecific for individual Lys residues. Second, GG specifically stabilizes the heterosteric zipper formed by the PHF6* motif through bridging Lys residues within its interacting segment. This segment frequently associates with nonproteinaceous substances in tauopathy polymorphs (i.e., in AD and all three-layer polymorphs) consistent with a potential role in promoting aggregation and modulating formation of disease conformers.

References:
[1] Limorenko G., Lashuel H.A. Chem Soc Rev. 51 (2022) 513-565.
[2] Shi Y. et al. Nature 598 (2021) 359-363.
[3] Yang J., Agnihotri M.V., Huseby C.J., Kuret J., Singer S.J. Biophys J. 120 (2021) 1396-1416.

11:55: [MedicineTueAM02] OS Plenary
AN INNOVATIVE DIRECT CARDIAC COMPRESSION CARDIAC ASSIST DEVICE FOR TREATING END-STAGE HEART FAILURE
Nguyen Tran¹ ; Jean-philippe Jehl² ; Pablo Maureira³ ;⁰ ; ¹, Nancy, France; ²Institut Jean Lamour - Université de Lorraine, Nancy, France; ³INSERM U961, Nancy, France;
Paper Id: 508 [Abstract]

Despite therapeutic advances that improve longevity and quality of life, chronic heart failure has kept its progressive nature associated with poor prognosis. We have developed an original Direct Cardiac Compression cardiac assist device dedicated to the assistance of patients suffering from end-stage chronic heart failure (CHF). This type of assistance allows treatment of heart failure without direct contact with the patient's blood (unlike circulatory assistance where blood contact is a problem) and without requiring major surgery. Introduced into the thorax by small thoracotomy, this device is totally implantable, i.e. all the elements of the device (prosthesis but also the control, power supply and motorization systems) can be surgically implanted in the patient. Advantageously attached to the apex of the heart, it is able to exert localized pressure at specific locations on the outer wall of the heart in order to improve cardiac circulatory function. This device can operate synchronously with the native heart rhythm of the patient via a pacemaker control unit. The device is now under preclinical investigation in porcine model to be proved as an effective alternative strategy to treat end-stage heart failure.

12:20: [MedicineTueAM03] OL Plenary
Transport Oncophysics and Silicon-Based Medicine
Mauro Ferrari¹ ; ¹University of Washington, Seattle, Washington, United States;
Paper Id: 511 [Abstract]

The advent of novel engineering technologies affords unprecedented advances toward long-elusive objectives of medical research. Individualized medicine responds to the basic but generally unattainable question of identifying the right therapy, reaching the right therapeutic target in the body at the right time, and securing immediate feedback as for its efficacy and undesired collateral effect. Finally, individualized medicine appears to be a credible general objective in many pathologies, owing to the integration of classical disciplines of clinical medicine, methods of molecular biology, and novel technology platforms. Nanotechnologies are of great interest in the context of the drive toward individualized medicine, and may prove to be the necessary catalyst for its large-scale implementation. In this talk I will focus on nanoporous-silicon-based approaches for the individualization of medical intervention: multistage vectors for the preferential localization of therapeutic agents; injectable nano-particle generators for the therapy and prevention of metastatic cancer. While these novel platforms engender direct clinical applications, at the same time they afford the formulation of novel frameworks and hypotheses for the basic understanding of pathological processes. In particular, multistage particulates are the probes that afford the exploration of a new perspective of cancer, that is, that the unifying aspect of the canonical ‘hallmarks of cancers’ all relate to dys-regulation of mass transport at scales including the molecular, cellular, microenvironmental, and systemic. These considerations are the starting point for “Transport OncoPhysics”.

12:45: [MedicineTueAM04] OL Plenary
Research on research: bird's eye views on science and its reproducibility
John Ioannidis¹ ; ¹Stanford University, United States, United States;
Paper Id: 515 [Abstract]

Multiple lines of evidence suggest that a substantial segment of published research yields results that are not reproducible. In the last decade, we have had the ability to examine large segments of the scientific corpus, using methods that can provide bird’s eye views of the status and evolution of scientific disciplines in terms of reproducibility, transparency, and bias indicators. The lecture will assess the scope of this evidence and will discuss solutions that have been proposed to enhance the credibility of research efforts. Many of these solutions are already effective and have improved the performance of multiple scientific fields while others are more speculative and they require careful testing before their adoption.

SESSION: OxidativeTuePM1-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Tue. 29 Nov. 2022 / Room: Ballroom B
Session Chairs: Shigeru Hirano; Session Monitor: TBA

14:00: [OxidativeTuePM105] OS Plenary
Antioxidant treatment for Long- COVID and mRNA vaccine side effects
Haruhiko Inufusa¹ ; Fuhua Yang² ; Naomi Okada³ ; Toshikazu Yoshikawa⁴ ; ¹TIMA, Gifu, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Gifu University, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 425 [Abstract]

COVID-19 infection produces large amounts of Reactive Oxygen Species (ROS) in the human body, and the attack on the immune system by ROS causes a cytokine storm. Therefore, COVID19 infection generally does not cause severe disease in children with low ROS levels, but often causes severe disease and death in the elderly or those with underlying disease already ROS levels are high. The major problem with after COVID-19 pandemic is not only Long-COVID, but also the large number of patients who suffer from the tremendous side effects caused by mRNA vaccines. Pfizer and other genetic vaccines produce spike proteins and antibodies against them. Not only the spike protein itself causes ROS, but also pseudouridine and Lipid Nanoparticles (LNP) contained in the vaccine induce inflammation and increase ROS. In other words, both diseases are oxidative stress diseases. Twendee X (TwX) is a very strong antioxidant composition and reduces inflammation which L-glutamine, ascorbic acid (VC), L-cystine, coenzyme Q10, succinic acid, fumaric acid, vitamin B2, and niacin was used for patients. Patients took 3 tablets of TwX once a day for 4 weeks and answered a web-based questionnaire about their symptoms before and after taking TwX. A score of 0 on the questionnaire indicated no symptoms, while a score of 5 indicated severe symptoms. A total of 149 patients with mRNA vaccine sequelae completed the monitoring questionnaire completely. The monitored symptoms were Fatigue, Breathing difficulty, Chest pain, Smell or taste disorder, Headache, Brain fog, Joint pain, and Dizziness. All monitored symptoms showed significant post-medication score reductions and symptom improvement. Especially in patients with moderate to severe disease with a score of 3 or higher, the mean score dropped to less than half of the pre-medication level for all items. TwX were thought to be effective in relieving symptoms in these patients, many of whom suffer from mRNA vaccine sequelae worldwide.

References:
1). Novel compositions and uses thereof WO 2008071790 A3\n2). Antioxidant composition and its use in diabetes EP 1932542 A1\n3). Pretreatment Twendee X® reduced acute ischemic brain damage. Kusaki M, Inufusa H, Abe K, JSCVD 2017; 26: 1191-1196\n4). Clinical and Pathological Benefit of Twendee X in Alzheimer's Disease Transgenic Mice with Chronic Cerebral Hypoperfusion. Liu Xia, Yamashita T, Abe K, et al. J Stroke Cerebrovasc Dis. 2019 Jul;28(7):1993-2002.\n5). Antioxidant composition Twendee X may improve long COVID symptoms. You F, Tanaka S, Inufusa H, et al.　Brain Supplement. 2022; 4: 7-12.\n6). Effects of Antioxidant composition Twendee X on side effects of SARS -COV-2 mRNA vaccine. You F, Tanaka S, Inufusa H, et al. Brain Supplement. 2022; 4: 1-6.

14:25: [OxidativeTuePM106] OS
Role of Antioxidants in Oxidative Stress Induced by High Intake of Alcohol
Fuhua Yang¹ ; Yoshiaki Harakawa² ; Toshikazu Yoshikawa³ ; Haruhiko Inufusa⁴ ; ¹Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ²Division of Anti-oxidant Research, Gifu University, Gifu, Japan; ³Louis Pasteur Center, Kyoto, Japan; ⁴TIMA, Gifu, Japan;
Paper Id: 429 [Abstract]

Although there are genetic differences in the metabolism of alcohol, large amounts of alcohol intake can cause hangovers and, in severe cases, death due to acute alcohol poisoning. Once alcohol enters the body, it is metabolized mainly in the liver, where it is broken down into the highly hepatotoxic acetaldehyde. It is thought that excessive alcohol intake causes insufficient metabolism in the body, and the acetaldehyde induces oxidative stress, resulting in hangovers and organ damage. Therefore, we examined the effects of large amounts of alcohol on the body using Twendee S (TwS), an antioxidant formula consisting of coenzyme Q10, vitamin C, vitamin B2, niacin, L-cystine, succinic acid, fumaric acid, and L-glutamine. Mice were intraperitoneally administered ethanol, and blood acetaldehyde and oxidative stress were measured. The results showed that acetaldehyde in the blood increased at 2 hours after ethanol administration and was hardly detectable at 24 hours. However, oxidative stress remained high even after 72 hours of ethanol administration, and antioxidant capacity was low. In contrast, TwS-treated group suppressed blood acetaldehyde and the rising oxidative stress without reducing antioxidant capacity. In the mouse acute alcohol intoxication experiment, all mice in the Control group, to which nothing was administered, died after 12 hours. However, in the group that received 4 doses of TwS at 12-hour intervals the survival rate was 100%. These results suggest that heavy alcohol intake increases oxidative stress in the body, and that this oxidative stress may be a factor in acute poisoning deaths. In contrast, the antioxidant compound TwS suppressed acute poisoning deaths by speeding up the metabolism of alcohol and suppressing elevated oxidative stress. In conclusion, heavy and prolonged alcohol intake causes significant oxidative stress in the body, which may lead to aging and disease. Therefore, countermeasures against oxidative stress caused by alcohol intake are important, and TwS was shown to have the potential to reduce this risk.

References:
1). Markus Graf V. Matuschka-Greinffenclau, Hans Peter Jander. Alcohol metabolism moderating composition. WO 2005077464 A1. 2005-08-25.\n2). Markus Graf Matuschka Von Greiffenclau, Haruhiko Inufusa. Composition for accelerating alcohol metabolism and for reducing the risk of alcohol induced diseases. WO 2012095509 A8. 2012-10-04.\n3). Petrella C, Carito V Ceccanti M, et al. Oxidative stress inhibition by resveratrol in alcohol-dependent mice. Nutrition. 2020;79-80:110783.

14:50: [OxidativeTuePM107] OS
Potential for Antioxidant Therapy for Diabetes and Diabetic Complications
Yoshiaki Harakawa¹ ; Fuhua Yang² ; Toshikazu Yoshikawa³ ; Haruhiko Inufusa⁴ ; ¹Division of Anti-oxidant Research, Gifu University, Gifu, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Louis Pasteur Center, Kyoto, Japan; ⁴TIMA, Gifu, Japan;
Paper Id: 426 [Abstract]

Diabetes is known to be a disease caused by oxidative stress, and also known to generates its own oxidative stress, resulting in numerous complications. Twendee X (TwX) is an antioxidant combination supplement with international and Japanese patents, and has been certified as effective in preventing dementia from a randomized, double-blind clinical trial led by the Japan Society for Dementia Prevention in 2019. In recent years, we have also successfully developed Twendee Mtcontrol (TwM), an antioxidant with seven more ingredients added to TwX to increase its antioxidant effect. The antioxidants TwX and TwM were tested in animal models to see if they can treat diabetes and diabetic complications. To examine the effect of antioxidants on diabetes, a diabetic disease model was developed. TwX or TwM was orally administered daily for 2 months. Afterwards, a glucose tolerance test was performed, and blood glucose levels were measured over time. In addition, insulin levels were measured under the same conditions. The results showed that the peak blood glucose level was significantly improved in the TwX group, and the peak level was also improved in the TwM group compared to the control group. Insulin levels also tended to be lower than controls in both groups. In addition, to verify the effectiveness of the supplements in preventing actual diabetic complications, we tested it on SDT fatty rats, which develop diabetic complications early in the course of the disease. These rats develop elevated blood pressure and cataracts at a much earlier stage due to the progression of diabetes mellitus. SDT fatty rats (5-week-old males) were divided into three groups (n=8): control (non-treated), TwX 40 mg/kg/Day, and TwM 40 mg/kg/Day. At 17 weeks of age, most rats in the non-treated group showed severe cataracts, whereas those in the TwM-treated group had relatively mild cataracts. Systolic blood pressure also tended to increase with age in the non-treated group, but the TwX and TwM groups significantly suppressed the age-related increase in blood pressure. These results suggest that TwX and TwM reduced blood glucose levels in an insulin-independent manner, thereby reducing diabetic complications such as hypertension and cataracts. TwX reduced blood glucose levels more, and TwM had a pronounced cataract-preventive effect. TwM may have a broader range of disease-preventive effects. however, further studies are required for the detailed mechanism of action. These results suggest the possibility of antioxidant therapy for diabetes mellitus and its complications.

References:
[1] Yamagishi S. [Diabetes and Oxidative Stress] Tounyoubyou to Sanka Sutoresu (in Japanese), Medical Review Co., Ltd., 2011, 3.\n[2] Masuyama T, Katsuda Y, and Shinohara M. A novel model of obesity-related diabetes: introgression of the Lepr^fa allele of the Zucker fatty rat into nonobese Spontaneously Diabetic Torii (SDT) rats. Exp. Anim. 54(1): 13-20, 2005.\n[3] Matsui K, Ota T, Matsushita M, et al. Diabetes-associated complications in Spontaneously Diabetic Torii Fatty Rats. Exp. Anim. 57(2): 111-121, 2008.

15:15: [OxidativeTuePM108] OS
ANTI-OXIDANT TWENDEE X FOR MAINTENANCE OF VOCAL AND SWALLOWING FUNCTION
Shigeru Hirano¹ ; Yoichiro Sugiyama² ; Haruhiko Inufusa³ ; Toshikazu Yoshikawa⁴ ; ¹Kyoto Prefectural University of Medicine, Kyoto, Japan; ²Department of Otolarynogolgy-Head and Neck Surgery, Kyoto Prefectural University of Medicine, Kyoto, Japan; ³TIMA, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 94 [Abstract]

Voice and swallowing function are critical functions for human life which is supported by intriguing motion of pharynx and larynx. Swallowing function is complicated consisting of the motion of tongue, soft palate, pharyngeal muscles, laryngeal elevation, and the vocal folds. Reactive oxygen species (ROS) affects the whole organs and their functions, which deteriorate vocal and swallowing function with age or diseases. Dysphagia causes sarcopenia, frail, and aspiration pneumonia which occasionally causes death. It is important to maintain swallowing function as well as vocal function to keep the body in healthy status. Twendee X, the strongest anti-oxidant, can maintain the function of the pharynx and larynx by reducing ROS. Our previous data indicated that reduction of ROS leads to maintenance of the vocal folds against aging or injury. We have also confirmed that Twendee X can maintain the vocal function of professional singers. To date, we have established a dysphagia model of guinea pig by resecting nerve branches to the thyropharyngeal muscle. This model represents motor-related dysphagia which is often observed in elderly or patients with neuromuscular diseases. In this model, the animals became unable to eat immediately after the surgery, and lost weight for about 1 week, but they recovered by compensation. When the animals were fed with Twendee x, the immediate reduction of food intake was prevented possibly because of maintenance of the muscles. Twendee X is thought to be effective for maintenance of voice and swallowing function.

SESSION: MedicineTuePM2-R1	Intl. Symp. on Technological Innovations in Medicine for Sustainable Development
Tue. 29 Nov. 2022 / Room: Ballroom B
Session Chairs: Osamu Kimura; Session Monitor: TBA

15:55: [MedicineTuePM209] OS Plenary
Non-invasive cancer therapy with the latest medical technologies and a new treatment concept
Shinichi Hori¹ ; Atsushi Hori¹ ; Tatsuya Nakamura¹ ; ¹Institute for Image Guided Therapy, Izumisano, Japan;
Paper Id: 460 [Abstract]

Over the past decade, cancer treatment has made remarkable progress. The standard treatments-surgery, radiotherapy, and systemic chemotherapy have played a significant role. Nevertheless, standard treatments continue to cause side effects for a growing number of patients. Further complicating matters, cancer treatment is becoming increasingly expensive. The solutions to these problems require the application of some new concepts and newly developed medical technologies[1]. Cancer treatment with less damage to patients, enabling patients to carry on with their work as well as normal family lives even after treatment should never be defined as a miracle cure but as a practical treatment. Nowadays, with the help of the latest medical imaging technology, it is feasible to identify the exact location of cancer and find the best approach to treatment[2]. Then a microcatheter with a diameter as small as 0.7 mm can be inserted into a patient’s body and travel anywhere in the body[3]. Additionally, the spherical embolic microspheres deliver drugs for an extended period while keeping the drugs remaining inside the targeted lesion[4]. With these technologies, we continue to develop new methods of cancer treatment. Moreover, if cancer treatment were aimed at living with cancer in a non-life-threatening situation rather than eradicating it, cancer treatment would be significantly changed. There are very few cancer patients who have benefited from "arterial embolization," which is only known to a small number of medical experts. Our team has been working on this treatment for 20 years, and we are still trying to find ways to achieve better treatment outcomes while also reducing medical costs, and allowing more people to live cancer-free. The purpose of this presentation is to demonstrate how this treatment is applied to patients and what kind of therapeutic effect it has. This medical technology will play a crucial role in the effective delivery of new drugs to the targeted lesion, as well as in the fields of immunotherapy and regenerative medicine.

References:
[1] S. Hori, T. Nakamura, N. Kennoki, I. Dejima, and A. Hori, “Transarterial management of advance lung cancer,” Jpn. J. Clin. Oncol., vol. 51, no. 6, pp. 851–856, May 2021, doi: 10.1093/jjco/hyab050.
[2] T. Tanaka et al., “Current role of hybrid CT/angiography system compared with C-arm cone beam CT for interventional oncology,” Br. J. Radiol., vol. 87, no. 1041, p. 20140126, Sep. 2014, doi: 10.1259/bjr.20140126.
[3] Z. Wang et al., “Superselective arterial embolization with drug-loaded microspheres for the treatment of unresectable breast cancer,” Gland Surg., vol. 8, no. 6, pp. 740–747, Dec. 2019, doi: 10.21037/gs.2019.12.06.
[4] N. Kennoki, S. Hori, T. Yuki, and A. Hori, “Transcatheter Arterial Chemoembolization with Spherical Embolic Agent in Patients with Pulmonary or Mediastinal Metastases from Breast Cancer,” J. Vasc. Interv. Radiol., vol. 28, no. 10, pp. 1386–1394, Oct. 2017, doi: 10.1016/j.jvir.2017.06.003.

16:20: [MedicineTuePM210] OS Plenary
Novel Immunotherapy Treatment of Cancer
Osamu Kimura¹ ; ¹Tokyo CA Clinic, Tokyo, Japan;
Paper Id: 450 [Abstract]

Anti-cancer immunotherapy has become popular after immune-checkpoint inhibitors (ICI) proved effective in some cancer patients compared to conventional chemotherapies. However, the effectiveness of ICI has been reported to be around 20% and is not far from satisfactory. One of the reasons should be an inadequate understanding of the relationship between cancer cells and tumor immunity. As a result, conventional treatments have not aggressively approached the tumorigenesis side of the immune response. We have developed new anti-cancer immunotherapy with the following vital procedures. 1. Controlling innate immune system and cancer microenvironment (CME) 2. Low dose radiation 3. Intra-tumoral injection of immune cells With these steps in order, we have confirmed that cancer-specific cytotoxic T cells were effectively induced and could kill cancer cells rapidly in clinical practice. This lecture will focus on the relationship between cancer cells and immune response and how our new treatment works well for patients with such advanced cancer.

16:45: [MedicineTuePM211] OS
Modeling and prediction of the moisture sorption kinetics for lyophilized glassy formulations
Kyuya Nakagawa¹ ; ¹Kyoto University, Kyoto, Japan;
Paper Id: 466 [Abstract]

Lyophilization/Freeze-drying is an essential technology for the production of stable dried pharmaceuticals with longer shelf life. Lyophilization produces porous product with a large surface area and high hygroscopicity. Although most current industrial pharmaceutical lyophilization are carried out in vial with rubber cap, moisture sorption remains a major problem during long-term storage in the range of year [1]. Moisture sorption is governed by the glass-rubber transition of the lyophilized matrix. Since this transition relates to the temperature and moisture content, the onset of transition is influenced by the balance between the fluidity of the matrix and the sorption rate. Therefore, a model strategy that relates the glass transition and moisture sorption kinetics to the humidity-induced-collapse is fundamental for quantitative prediction of the shelf-life of the lyophilized products [2], but such a model has not yet been reported. This study is to develop a new mathematical model of sorption kinetics applicable to glassy lyophilized matrices. By incorporating experimentally obtained moisture sorption isotherms and glass transition lines into the model development, it is shown that the time until the humidity-induced-collapse occurs can be predicted with higher accuracy. Results were visually summarized in stability maps as a function of the storage conditions, such as relative humidity and temperature. The location of the limit line, the border to induce humidity-induced-collapse, was observed to depend on the sorption rate constant, moisture sorption isotherm, and glass transition temperature of the selected material. As expected, matrices with relatively high transition temperatures exhibited a wider stability zone. The mathematical model proposed in this study could be a robust tool for quantitatively predicting product stability against storage conditions that reflect the properties of materials.

References:
[1] Matejtschuk, P., Rafiq, S., Johnes, S., Das, R.G., 2005. A comparison of vials with ampoules for the storage of biological reference materials. Biologicals 33, 63-70.\n[2] Duralliu, A., Matejtschuk, P., Williams, D.R., 2018. Humidity induced collapse in freeze dried cakes: a direct visualization study using DVS. European Journal of Pharmaceutics and Biopharmaceutics 127, 29-36.

17:10: [MedicineTuePM212] OS
Novel Aminoglycoside Antibiotics That Evade Bacterial Resistance Mechanisms
Dev Arya¹ ; ¹Clemson University, Clemson, United States;
Paper Id: 182 [Abstract]

Aminoglycosides inhibit bacterial growth by binding to the A-site decoding region of the bacterial 16s ribosomal RNA (rRNA) within the 30S ribosomal subunit. Previous work has shown that there is approximately a five-fold difference in the affinity of neomycin for the human A-site model and the E. coli model. The methodology for synthesizing, screening for both ribosomal binding/selectivity and bacterial growth inhibition, and rapid analysis of the data provides a systematic method for identification of bacterial ribosome specific antibacterials that can evade bacterial resistance pathways. We have developed rapid synthetic and screening methods that rapidly identify compounds that discriminate between the two model rRNA structures. Novel potent aminoglycosides that show high selectivity for the bacterial ribosome over mammalian ribosome were identified. Our approach, coupled with a rapid solid phase synthesis of peptidic aminosugars, has identified active aminoglycosides that show large differences in binding affinity for the E. coli A-site vs. the human A-site. Synergistic applications with clinical antibiotics have allowed us to develop novel antimicrobials that can inhibit the growth of multidrug resistant bacteria.

References:
1. Jiang, Li; Watkins, D; Jin, Y; Gong, C; King, Ada; Washington, A; Green, K; Garneau-Tsodikova, S; Oyelere, A; Arya, D. "Rapid Synthesis and Screening of a Peptidic-aminosugar (PA) library targeting rRNA". <i>ACS Chemical Biology</i> <b>2015</b>, May 15,1278-89.
2. Degtyareva NN, Gong C, Story S, Levinson NS, Oyelere AK, Green KD, Garneau-Tsodikova S, Arya DP. Antimicrobial Activity, AME Resistance, and A-Site Binding Studies of Anthraquinone-Neomycin Conjugates. <i>ACS Infect Dis.</i> <b>2017</b> Mar 10;3(3):206-215

SESSION: MedicineTuePM3-R1	Intl. Symp. on Technological Innovations in Medicine for Sustainable Development
Tue. 29 Nov. 2022 / Room: Ballroom B
Session Chairs: TBA Session Monitor: TBA

17:50: [MedicineTuePM313] OL Plenary
Practical Implementation of Quantum Medicine A Review of the Medical Devices, Protocols &amp;amp; Technologies Currently in the Arsenal of Advanced Integrative Medicine
Pinchas Mandell¹ ; ¹Family of Israel Foundation, , Israel;
Paper Id: 297 [Abstract]

Quantum theory is often displayed in nature, and understanding the application of quantum mechanics to it, is the first step in applying it to medicine. In nature, applications of quantum mechanics often deals with superposition, entanglement and tunneling. Energy-converting biological processes such as chemical reactions, light absorption that are instantaneous or extremely efficient can be explained through quantum mechanics. These include and are not limited to photosynthesis, cellular respiration, vision, and DNA mutations and repair. While much more research needs to be done on quantum biology, we still have the obligation of designing and implementing medical devices and treatment protocols based on our understandings of what we have learned and observed over the last 100 years in the field of quantum mechanics and their profound healing affects on human & animal biology. We will review a number of medical devices, protocols, and technologies which are utilized by doctors practicing advanced integrative medicine to treat the root cause of disease; with the common denominator being that the mechanism of action for all of these treatment modalities is solidly based on the principals of quantum mechanics.There’s one industry that is especially poised for massive changes on many levels from quantum technology: health care. Quantum technology is set to revolutionize the way we think about health care, medical data, and even our own biology. In this lecture, we shall also explore the possible medical role of Einstein's "completion" of quantum mechanics into hadronic mechanics, with particular reference to R. M. Santilli' conception of cells and, therefore, human bodies, as a collection of extended wavepackets in one single, total, mutual entanglement.

References:
Dennis, Kingsley L., Ph.D. “Reality Sandwich.” Quantum Consciousness Comments. Reality Sandwich, 2013. Web. 09 Jan. 2014.
“Introduction to Quantum Medicine.” Quantum Medicine. Inergetix Inc., 2007. Web. 09 Jan. 2014. Palmer, Jason, and Alex Mansfield. “Quantum Biology: Do Weird Physics Effects Abound in
Nature?” BBC News. BBC, 27 Jan. 2013. Web. 09 Jan. 2014.
“Quantum Biology: Powerful Computer Models Reveal Key Biological Mechanism.” ScienceDaily.
ScienceDaily, 16 Jan. 2007. Web. 09 Jan. 2014.
Yarris, Lynn. “Quantum Secrets of Photosynthesis Revealed.” Research News. Berkeley Lab, 12 Apr. 2007. Web. 09 Jan. 2014.
The Fourth Phase of Water; Beyond Solid, Liquid and Vapor (A book by Gerald H. Pollack, PhD Professor University of Washington Seattle ESTC - Hayden July 2018 Topic: water)
Principles of Quantum Medicine
Disease and Treatment in the Notions of Quantum Medicine
Ultraviolet blood irradiation: Is it time to remember “the cure that time forgot”? Journal of Photochemistry Photobiology B. 2016 April ; 157: 89–96
Ultraviolet Blood Irradiation Therapy (Photo-Oxidation) The Cure That Time Forgot Int J. Biosocial Med Research Vol. 14(2) 115-32, 1996
Scientific and Medical Aspects of Ozone Therapy. State of the Art Archives of Medical Research 37 (2006) 425–435
Mechanisms of Action and Chemical-Biological Interactions Between Ozone and Body Compartments: a Critical Appraisal of the Different Administration Routes Current Drug Therapy 2009
Are_humans_really_beings_of_light
Daylight Robbery (by Dr. Damien Downing)
Into The Light (Dr. Douglass) E-book
One-MinuteCureBook E-Book

18:15: [MedicineTuePM314] OS Keynote
VIRUS ENTROPIC CHARACTERISTICS
Grigory Korablev¹ ; ¹Izhevsk state agricultural academy, Izhevsh, Russian Federation;
Paper Id: 168 [Abstract]

It is demonstrated that according to the first law of thermodynamics the equality of entropic and negentropic components is the condition of resonance stationary state of systems. The initial nomograms of entropic and negentropic characteristics for many processes and phenomena in nature, engineering and physical chemistry are given. The entopic technique for forming fractal systems is presented. The coronavirus scenario in Russia is analyzed. The accuracy of forecast regarding the maximum number of diseases at the given moment and plateau duration is 96.5 % and 98.5%, respectively. Keywords: coronavirus, entropy, negentropy, nomograms, stationary state, forecasts, fractals

SESSION: covid19WedAM-R1	International Symposium on COVID-19/Infectious Diseases & their implications on Sustainable Development
Wed. 30 Nov. 2022 / Room: Ballroom B
Session Chairs: Joao Ricardo Ribas; Hossein Khalili; Session Monitor: TBA

11:30: [covid19WedAM01] OL Plenary
IL-13 is a driver of COVID-19 severity
William A. Petri¹ ; ¹University of Virginia, Charlottesville, United States;
Paper Id: 211 [Abstract]

SARS-CoV-2 is currently causing the global COVID-19 pandemic, and understanding mechanisms that contribute to severity will aid in protection from poor outcomes. Here we report that increased interleukin-13 (IL-13) was associated with the need for mechanical ventilation in two independent patient cohorts. In addition, patients who acquired COVID-19 while prescribed the IL-13 and IL-4 receptor blocker, Dupilumab, had less severe disease. In SARS-CoV-2 infected mice, IL-13 neutralization resulted in reduced disease severity, demonstrating a pathogenic role for this cytokine. Following IL-13 blockade, hyaluronan synthase 1, Has1 was identified as the most highly downregulated gene. Furthermore, blocking of the hyaluronan receptor, CD44, reduced mortality in infected mice, suggesting this pathway is regulated by IL-13. Understanding the role of IL-13 and hyaluronan has important implications for therapy of COVID-19 and potentially other pulmonary diseases.

11:55: [covid19WedAM02] OL Keynote
IgG Antibodies against SARS-CoV-2 Correlate with Days from Symptom Onset, Viral Load and IL-10
William A. Petri¹ ; ¹University of Virginia, Charlottesville, United States;
Paper Id: 212 [Abstract]

Background. The emergence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has resulted in a pandemic of coronavirus disease 2019 (COVID-19). Antibody testing is essential to identify persons exposed to the virus and potentially predicting immunity. Methods. 183 COVID-19 patients (68 mechanically ventilated) and 41 controls were tested for plasma IgG, IgA and IgM against the SARS-CoV-2 S1, S2, receptor binding domain (RBD) and N proteins using the MILLIPLEX® SARS-CoV-2 Antigen Panels. Plasma cytokines were measured using the MILLIPLEX® MAP Human Cytokine/Chemokine/Growth Factor Panel A. Results. COVID-19 positive patients had high levels of IgG, IgA and IgM anti-SARS-CoV-2 antibodies against viral proteins. Sensitivity of anti-S1 IgG increased from 60% to 93% one week after symptom onset. S1-IgG and S1-IgA had specificities of 98%. Ventilated COVID-19 patients had higher antibody levels than the COVID-19 patients who were not ventilated. IgG antibody levels against S1 protein had the strongest correlation to days from symptom onset. There were no statistically significant differences in antibodies based on age. We found that patients with the highest IgG levels had the lowest viral load. Finally, there was a correlation of high plasma IL-10 with low anti-SARS-CoV-2 IgG. Conclusions. Anti-SARS-CoV-2 antibody levels increased within days after symptom onset, achieving >90% sensitivity and specificity within one week, and were highest in patients who were ventilated. Antibody levels were inversely associated with viral load but did not differ by age. The correlation of high IL-10 with low antibody response suggests a potentially suppressive role of this cytokine in the humoral immune response.

12:20: [covid19WedAM03] OS Keynote
Health Care at a Crossroad: Harnessing the Power of Resilience, Innovation, and Collaboration Towards Sustainable Development and Transformation of Healthcare Education and Practice
Hossein Khalili¹ ; ¹University of Wisconsin-Madison & InterprofessionalResearch.Global (IPR.Global), Madison, United States;
Paper Id: 226 [Abstract]

Since the UN declared the COVID-19 outbreak as a global pandemic in March 2020, the InterprofessionalResearch.Global (IPR.Global) has established a COVID-19 Taskforce to assess the global impacts of COVID-19 on interprofessional healthcare education, practice, and research, and to develop/disseminate best recommendations and guidance for our global community. Healthcare education and practice continue to be highly disrupted by the current pandemic. In practice, the operation of providing direct care is restricted to essential services to protect patients and learners. However, telehealth has become a primary method of delivering care in which healthcare providers (HCPs) and patients experience a sudden and disruptive change in their healthcare delivery. In education, students and faculty are experiencing fragmentation in learning and collaboration considering normal class teaching and clinical/community instructions are not existed anymore. In underserved populations and countries, the situation is dire, as for example two-thirds of African institutions had to cancel or suspend their teaching last year. In fact, the pandemic revealed/widened the digital divide and inequity in accessing to services, technology, and distance learning in the global society. Only 60% of the global population has online access, and of those, many cannot afford computers, or may not have the know-how to use them. The future of health care relies on our successful and systematic evolution out of the pandemic. The COVID-19 pandemic has placed the health care at a crossroads of either viewing it as a temporary situation that requires short-term solutions, or as a major disruption that presents opportunities for innovation for sustainable development and transformation. The abrupt transition to virtual healthcare and distance learning along with the COVID-19 restrictions have caused more than 80% of HCPs and over 70% of college level students to experience anxiety, stress, and/or burnout. In a recent Call to Action entitled: “Building Resilience in Health Care in the time of COVID-19 through Collaboration – A Call to Action, IPR.Global urged the global healthcare education and practice communities to act strategic and bold to address the imminent threat of a parallel burnout pandemic by using system-based collaborative approach. Attention must be given to building capacity in the society through collaboration, innovation, and resilience. The rapidly changing landscape of the health care towards digitalization and smart technology integration provides promising opportunities for innovation, collaboration, and resilience in improving patient/population care, safety, and health outcomes. In this Keynote, I will discuss the new paradigm shift in the digitalized healthcare education and practice that requires us to think and act differently using innovative, collaborative, and system-based approach in delivering healthcare practice and in developing the current and future healthcare workforce of the future.

References:
• Kavanagh, J.M., Sharpnack, P.A. (2021). Crisis in Competency: A Defining Moment in Nursing Education
The Online Journal of Issues in Nursing, 26(1)
• Khalili, H., Lising, D., Gilbert, J. Thistlethwaite, J., …., Rodrigues, F. J., (2021). Building Resilience in Health Care in the time of COVID-19 through Collaboration - A Call to Action. InterprofessionalResearch.Global Publication (ISBN: 978-1-7366963-0-9). Available at: www.interprofessionalresearch.global
• Marinoni, G., Van’t Land, H., & Jensen, T. (2020). The impact of Covid-19 on higher education around the world. IAU Global Survey Report. Available from: https://www.iau-aiu.net/IMG/pdf/iau_covid19_and_he_survey_report_final_may_2020.pdf
• Shah, S., Diwan, S., Kohan, L., Rosenblum, D., Gharibo, C., Soin, A., ... & Provenzano, D. A. (2020). The technological impact of COVID-19 on the future of education and health care delivery. Pain Physician, S367-S380.
• Tam, G., & El-Azar, D. (3). Ways the coronavirus pandemic could reshape education. In World Economic Forum. Available from: https://www.weforum.org/agenda/2020/03/3-ways-coronavirus-is-reshaping-education-and-what-changes-might-be-here-to-stay/

12:45: [covid19WedAM04] OL Plenary
Covid 19, perspectives on human tragedy
Joao Ricardo Ribas¹ ; ¹Hospital Miguel Couto, Rio de Janeiro, Brazil;
Paper Id: 527 [Abstract]

In early 2020, our planet was hit by an unknown, unpredictable and deadly disease, COVID. A few moths later this was proclaimed as a worldwide pandemic. It is almost 100 years after the latest pandemic in the beginning of the 20th century. The would was not prepared to handle this event and numerous problems surfaced . This paper explains some controversies concerning its origin, transmission, treatment, and outcome.

SESSION: OxidativeWedPM1-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Wed. 30 Nov. 2022 / Room: Ballroom B
Session Chairs: Koji Fukui; Koji Abe; Session Monitor: TBA

14:00: [OxidativeWedPM105] OS Plenary
Twendee X improves cognitive function in vitamin E-deficient mice
Koji Fukui¹ ; Fuhua Yang² ; Yugo Kato¹ ; Yoshiaki Harakawa³ ; Toshikazu Yoshikawa⁴ ; Haruhiko Inufusa⁵ ; ¹Shibaura Institute of Technology, Saitama, Japan; ²Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ³Division of Anti-oxidant Research, Gifu University, Gifu, Japan; ⁴Louis Pasteur Medical Research Center, Kyoto, Japan; ⁵TIMA, Gifu, Japan;
Paper Id: 419 [Abstract]

Reactive oxygen species may attack several living organs and gradually accumulate oxidative products such as lipid hydroperoxides. Recently, several kinds of evidence have been demonstrated that accumulation of oxidative products induces onset and progression of several severe diseases such as inflammations, cardiovascular events and more [1]. One severe disease is dementia, and it also deeply relates to senescence. To prevent age-related neurodegenerative disorders, treatment with antioxidant is effective. Twendee X, a mixed antioxidant supplement contains 8 substances [2] and anyone can buy it. However, the detailed scientific evidence is not enough. In this study, we fed Twendee X to vitamin E-deficient mice and check cognitive function.<br />We created vitamin E-deficient mice and Twendee X treated for one month. Cognitive function was measured by the Morris Water maze task [3].<br />Vitamin E deficient mice were significantly decrease learning ability. Treatment with Twendee X was significantly improved it. Brain neurotrophic factors in Twendee X-treated mouse were significantly increase compared to the untreated groups.<br />Twendee X has a potential as a powerful antioxidant supplement through protection against neuronal dysfunction.

References:
[1] Yoshida, N, Kato, Y, Takatsu, H, et al., Biomedicines 10 (2022) 28.\n[2] Tadokoro, K, Morihara, R, Ohta, Y, et al., J Alzheimer’s Dis, 71 (2019) 1063-1069.\n[3] Fukui, K, Onodera, K, Shinkai, T, et al., Ann NY Acad Sci, 928 (2001) 169-176.

14:25: [OxidativeWedPM106] OS
Oxidative stress and hearing
Shigeru Hirano¹ ; ¹Kyoto Prefectural University of Medicine, Kyoto, Japan;
Paper Id: 421 [Abstract]

Hearing loss can occur by aging, ototoxicity of drugs, noise exposure, etc. It deteriorates the quality of life. Severe hearing loss causes isolation in human life. Tinnitus is an accompanying symptom with hearing loss, and is kind of torture for some people. Prevention of hearing loss is essential to keep the comfortable human life. Oxidative stress has been revealed to cause hearing loss caused by aging, noise exposure, and ototoxic drugs such as aminoglycoside and cisplatin (CDDP). We have revealed that reactive oxygen species (ROS) is produced in the vessels and hair cells of the inner ear. The hair cells are critical to maintain the hearing ability, and ROS causes severe and refractory damage to the hair cells. We have also revealed that Nox-3 derived ROS in the cochlea induces sensorineural hearing loss. Nox-3 is the key molecule for production of ROS. Nox knock-out mice showed maintenance of hearing ability under noise exposure or ototoxic agency. Anti-oxidative supplement should be useful for maintaining hearing.

14:50: [OxidativeWedPM107] OS
Anti-oxidative approach to prevent Alzheimer's type of dementia
Koji Abe¹ ; Haruhiko Inufusa² ; Fuhua Yang³ ; Toshikazu Yoshikawa⁴ ; ¹National Center of Neurology and Psychiatry, Tokyo, Japan; ²TIMA, Gifu, Japan; ³Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 423 [Abstract]

Alzheimer's disease (AD) and chronic cerebral hypoperfusion (CCH) often coexist in dementia patients in aging societies. The hallmarks of AD including amyloid-β (Aβ)/phosphorylated tau (pTau) and pathology-related events such as neural oxidative stress and neuroinflammation play critical roles in pathogenesis of AD with CCH. A large number of lessons from failures of drugs targeting a single target or pathway on this so complicated disease indicate that disease-modifying therapies targeting multiple key pathways hold potent potential in therapy of the disease. In the present study, we used a novel mouse model of AD with CCH to investigate a potential therapeutic effect of a free radical scavenger, Edaravone (EDA) on AD with CCH via examining motor and cognitive capacity, AD hallmarks, neural oxidative stress, and neuroinflammation. Compared with AD with CCH mice at 12 months of age, EDA significantly improved motor and cognitive deficits, attenuated neuronal loss, reduced Aβ/pTau accumulation, and alleviated neural oxidative stress and neuroinflammation. These findings suggest that EDA possesses clinical and pathological benefits for AD with CCH in the present mouse model and has a potential as a therapeutic agent for AD with CCH via targeting multiple key pathways of the disease pathogenesis. In a clinical setting, anti-oxidative dietary supplement TwendeeX prevented cognitive function or even improved it with MMSE (minimental score examination) in mild cognitive impairment population. These results strongly suggest a promising function of anti-oxidative approach to prevent dementia.

References:
1). Tadokoro K, Morihara R, Abe K, et al. Clinical Benefits of Antioxidative Supplement Twendee X for Mild Cognitive Impairment: A Multicenter, Randomized, Double-Blind, and Placebo-Controlled Prospective Interventional Study. J Alzheimers Dis. 2019; 71(3): 1063-1069.\n2.) Feng T, Yamashita T, Abe K, et al. Clinical and Pathological Benefits of Edaravon for Alzheimar”s Disease with Chronic Cerebral Hypoperfusion in a Novel Mouse Model. J Alzheimars Dis. 2019; 71(1);327-339. \n3). Feng T, Yamashita T, Abe K, et al. In Vitro Free Radical Scavenging Activities of Dietary Supplements by Electron Spin Resonance. Brain Supplements. 2020; 2: 1-12.\n4). Tadokoro K, Ohta Y, Abe K, et al. Prevention of Cognitive Decline in Alzheimer’s Disease by Novel Sntioxidative Supplements. Int J Mol Sci. 2020 Mar 13:21(6)

15:15: [OxidativeWedPM108] OS
Involvement of anti-oxidant Twendee X in immunity.
Fuhua Yang¹ ; Naomi Okada² ; Haruhiko Inufusa³ ; Toshikazu Yoshikawa⁴ ; ¹Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ²Gifu University, Gifu, Japan; ³TIMA, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan;
Paper Id: 103 [Abstract]

Many diseases and physical disorders are caused by both external and internal factors, but the common denominator is inflammation and oxidative stress. Suppressing oxidative stress on a daily basis and maintaining a high level of self-immunity can help prevent and treat disease and maintain good health.
Intestines are involved in about 60% of our immune system. There are over 100 species of, or 100 trillions of bacteria in our intestines, and their ideal balance is 20% of good, 10% of bad, and 70% of opportunistic bacteria. This balance is lost by disturbed life rhythm and various diseases, in other words “oxidative stress”, being said to decrease bacterial diversity. Reducing oxidative stress and increasing diversity of intestinal bacteria is important for maintaining healthy life. Composed of vitamins, CoQ10, and amino acids, Twendee X (TwX) is an antioxidant which is confirmed to have a dementia-prevention effect. Effects of oxidative stress reduction by taking antioxidants on the bacterial diversity of the intestinal microflora and the balance of the intestinal microflora are examined.
Rats were given an antifungal agent OPP for 2 weeks, then blood and feces samples were collected to analyze blood oxidative stress and intestinal bacterial diversity. TwX was administrated from 1 week before OPP initiation. Although OPP rat group increased blood oxidative stress by 5%, no significant change was observed in microbial flora diversity. A rat group given TwX since 1 week before decreased oxidative stress by 13.3% and increased bacterial diversity 1.5 times higher, compared to rats which wasn’t given, and the number of Akkermansia, anti-inflammatory bacteria, was increased 3.5 times more. In the questionnaire survey for healthy participants who were given TwX for 1 month, the number of good bacteria and intestinal bacterial diversity were increased. Their defecation status and QOL were improved with that.
TwX tends to reduce oxidative stress, to increase the number of bacteria and diversity in intestinal microflora. It was suggested that this enables to protect human body from harmful substances invaded inside, improve immune system, and improve daily defecation status and QOL.

References:
1. Novel compositions and uses thereof WO 2008071790 A3\n2. Antioxidant composition and its use in diabetes EP 1932542 A1\n3. Composition for accelerating alcohol metabolism and for reducing the risk of alcohol induced diseases WO 2012095509 A8\n4. Composition for moderating triglyceride and cholesterol levels WO 2009062910 A1

SESSION: OxidativeWedPM2-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Wed. 30 Nov. 2022 / Room: Ballroom B
Session Chairs: Hironori Nakagami; Session Monitor: TBA

15:55: [OxidativeWedPM209] OS
Usefulness of Antioxidant Combination Products for Chronic Fatigue Syndrome
Fuhua Yang¹ ; Yoshiaki Harakawa² ; Toshikazu Yoshikawa³ ; Haruhiko Inufusa⁴ ; ¹Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ²Division of Anti-oxidant Research, Gifu University, Gifu, Japan; ³Louis Pasteur Center, Kyoto, Japan; ⁴TIMA, Gifu, Japan;
Paper Id: 427 [Abstract]

In Chronic Fatigue syndrome (CFS), a complex combination of factors such as infections and excessive stress in daily life causes abnormalities in the immune system, endocrine system, brain, and neurological functions. The pathogenesis of the syndrome is not yet clear, and no treatment has been established. Recently, it has been reported that CFS-like symptoms are also observed in COVID-19 sequelae and SARS-CoV-2 vaccine sequelae, and there is an urgent need to clarify the pathogenesis mechanism and establish prevention and treatment methods. Abnormal energy metabolism due to mitochondrial dysfunction and inflammation in the brain have been reported as one of the causes of CFS. Since oxidative stress is highly related to both of these factors, it was thought that suppressing oxidative stress may lead to improvement of various symptoms of CFS. Therefore, we analyzed the symptom changes before and after the use of an antioxidant combination supplement, Twendee Mtcontrol (TwM), taken by people who had been diagnosed with chronic fatigue syndrome. 2 months of TwM intake resulted not only in an anti-fatigue effect, but also in improvement of pains and QOL, compared to before intake. Although the effects of various antioxidants have been reported for CFS, most of them are mainly for fatigue, and there are no reports showing significant effects on various symptoms. This may be due to differences in the combination of antioxidants and their antioxidant capacity. The results of this study may be useful for future treatment and prevention of CFS.

References:
1). Feng T, Yamashita T, Abe K, et al. In Vitro Free Radical Scavenging Activities of Dietary Supplements by Electron Spin Resonance. Brain Supplements. 2020; 2: 1-12.\n2). You F, Tanaka S, Inufusa H, et al. Effects of Antioxidant composition Twendee X on side effects of SARS -COV-2 mRNA vaccine. Brain Supplement. 2022; 4: 1-6.\n3). You F, Tanaka S, Inufusa H, et al. Antioxidant composition Twendee X may improve long COVID symptoms. Brain Supplement. 2022; 4: 7-12.

16:20: [OxidativeWedPM210] OS
Antioxidants and Cancer Cells
Fuhua Yang¹ ; Yoshiaki Harakawa² ; Naomi Okada³ ; Toshikazu Yoshikawa⁴ ; Haruhiko Inufusa⁵ ; ¹Division of Anti-Oxidant Research, Gifu University, Gifu, Japan; ²Division of Anti-oxidant Research, Gifu University, Gifu, Japan; ³Gifu University, Gifu, Japan; ⁴Louis Pasteur Center, Kyoto, Japan; ⁵TIMA, Gifu, Japan;
Paper Id: 428 [Abstract]

Oxidative stress is involved in over 150 different diseases, and cancer is one of the most common. High oxidative stress can damage proteins and DNA that are essential to the body, leading to the formation of cancer over time. Oxidative stress in the body is also elevated in carcinoma carriers. When the body's oxidative stress is elevated, inflammatory substances increase, and the body's cancer immunity is reduced, which is thought to promote cancer cell growth and metastasis. Since antioxidants are thought to play an effective role in breaking this vicious cycle, we used the antioxidant compound Twendee X (TwX) to verify the effect of TwX on cancer cells through in vivo and in vitro experiments. Human colon cancer RPMI4788 cells are used as cancer cells. In in vitro experiments, the addition of 60 μg/ml of TwX to RPMI4788 cell culture medium slowed cell proliferation from 1 hour after addition, whereas the same concentration of the antioxidant Vitamin C did not inhibit cell proliferation. The inhibition of cell proliferation by the addition of TwX was not observed in normal cells. A mouse model of lung metastasis was created by transplanting RPMI cells (2 x 104 cells/ml) into nude mice via intravenous tail injection. After 6 weeks of treatment with TwX (40 mg/kg/day), blood samples were taken, and oxidative stress in the plasma, lung　metastasis, and NK activity was measured. The results showed that the oxidative stress level of the tumor-bearing mice was twice as high as that of normal mice, but TwX suppressed the increase from the normal level to less than half. Lung weights were also significantly lighter than controls. NK activity was significantly lower NK activity than normal mice, while the TWX group had twice higher NK activity as the carriers and 1.5 times higher than the normal mice. These results suggest that TwX may suppress cancer metastasis by suppressing elevated oxidative stress, thereby increasing NK activity, which is cancer immunity. However, similar results may not be obtained in the case of single-component antioxidants. We believe that the results of this study will help antioxidants in cancer treatment and prevention.

References:
1. Composition for protection against cell-damaging effects. WO/2013/072441 23.05.2013 (patent)\n2. Novel compositions and uses thereof WO 2008071790 A3\n3. Suplatast tosilate reduces radiation-induced lung injury in mice through suppression of oxidative stress. Yusuke Izumi, Taku Nakashima, Noboru Hattori, Free Radic Biol Med.2019;136:52-59

16:45: [OxidativeWedPM211] OS
The effect of anti-oxidant Twendee X on swallowing function in an animal model of dysphagia in guinea pigs
Yoichiro Sugiyama¹ ; Keiko Hashimoto² ; Shigeru Hirano³ ; Haruhiko Inufusa⁴ ; Toshikazu Yoshikawa⁵ ; ¹Department of Otolarynogolgy-Head and Neck Surgery, Kyoto Prefectural University of Medicine, Kyoto, Japan; ²Department of Otolaryngology-Head and Neck Surgery, Kyoto Prefectural University of Medicine, Kyoto, Japan; ³Kyoto Prefectural University of Medicine, Kyoto, Japan; ⁴TIMA, Gifu, Japan; ⁵Louis Pasteur Medical Research Center, Kyoto, Japan;
Paper Id: 433 [Abstract]

Dysphagia is one of the significant concerns in the aging society. In particular, the elderly with swallowing impairment caused by either central or peripheral nervous systems has difficulty in oral intake, possibly resulting in fatal pneumonia. As such, the development of a therapeutic approach that decreases in the risk of aspiration in dysphagic patients remains a pressing issue for medical doctors. The purpose of our study was to establish the animal model of dysphagia and test the hypothesis that decreased pharyngeal constriction caused by the denervation of the vagal efferent nerves can be improved by the application of the anti-oxidant agent. Thus, we developed the animal model in guinea pigs in which the pharyngeal branch of the vagus nerve was cut and initially evaluated swallowing function using videofluoroscopy. We then tested the effect of oral application of the anti-oxidant agent Twendee X on swallowing function in the dysphagia model animals. Insufficient pharyngeal constriction and pharyngeal residue were found in the denervated animals. The swallowing dysfunction was less pronounced in dysphagic animals with the administration of Twendee X. In conclusion, Twendee X could have a possible role in the improvement of swallowing function in dysphagic patients with decreased swallowing muscle strength caused by neuromuscular atrophy.

17:10: [OxidativeWedPM212] OL
Nanopore Electrochemistry for Single-Molecule Analysis
Yi-tao Long¹ ; Yi-lun Ying¹ ; Ru-jia Yu¹ ; Zheng-li Hu¹ ; Si-min Lu¹ ; Hong-yuan Chen¹ ; ¹Nanjing University, Nanjing, China;
Paper Id: 538 [Abstract]

Nanopore electrochemistry refers to the promising measurement science based on elaborate pore structures, which offers a well-defined geometric confined space to adopt and characterize single entities including single cells, single particles, and even single molecules by electrochemical technology.1-3 The electrochemical confined effect within the nanopore displays the incredible ability to achieve single entity discrimination by focusing energy (e.g. electrochemical, light energies and et al.) into small areas, converting the intrinsic properties of single entities into visible electrochemical read-outs with ultra-high temporal-spatial resolution. Furthermore, the excellent resolution of confined nanopore technology also permits the possibility to resolve the transient signals for further revealing the information of single biomolecules dynamics. The chemical controlled confinement inside nanopore provides the advanced electrochemically confined effects to convert the transient single molecule difference into the enhancing signal with high temporal-spatial resolution. In our group, the nanopore electrochemistry has been further applied into disease diagnostics by identifying rare sub-populations, DNA/protein sensing by reading the sequential differences and uncovering the fundamental chemical reactions pathways by revealing the hidden intermediates. With the advents of advanced measurement mechanism, instrumentation and data algorithm, electrochemically confined nanopore is certainly an exciting and promising field. We expect the next avenue for the wide applications of nanopore electrochemistry in a variety of disciplines, leading us explore the new chemistry at a much smaller scale.

References:
1. Ying, Y. L.; Long, Y. T., Nanopore-Based Single-Biomolecule Interfaces: From Information to Knowledge. J. Am. Chem. Soc. 2019, 141 (40), 15720-15729.
2. Li, X.-Y.; Ying, Y.-L.; Fu, X.-X.; Wan, Y.-J.; Long, Y.-T., Single‐Molecule Frequency Fingerprint for Ion Interaction Networks in a Confined Nanopore. Angew. Chem. Int. Ed., 2021, 133 (46), 24787-24792.
3. Hu, Z.-L.; Huo, M.-Z.; Ying, Y.-L.; Long, Y.-T., Biological nanopore approach for single‐molecule protein sequencing. Angew. Chem. Int. Ed., 2021, 133 (27), 14862-14873.
4. Lu, S.-M.; Peng, Y.-Y.; Ying, Y.-L.; Long, Y.-T., Electrochemical Sensing at a Confined Space. Anal. Chem. 2020, 92 (8), 5621-5644.

SESSION: OxidativeWedPM3-R1	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Wed. 30 Nov. 2022 / Room: Ballroom B
Session Chairs: Yoichiro Sugiyama; Session Monitor: TBA

17:50: [OxidativeWedPM313] OS Plenary
Role of bacterial antioxidant defense in their resistance to bactericidal antibiotics
A.c. Matin¹ ; ¹Stanford University, Stanford, United States;
Paper Id: 298 [Abstract]

Sigma S (s^s) controls the synthesis of resistance proteins in stationary pathogenic bacteria [(e.g., Escherichia coli (UPEC)]. Deletion of the rpoS gene rendered E. coli more sensitive to bactericidal antibiotics (BAs): gentamicin, nnorfloxacin and ampicillin. Proteomic analysis implicated a weakened antioxidant defense (AD). Use of the psfiA genetic reporter, 3-(p-hydroxyphenyl) fluorescein (HPF) dye, and Amplex Red showed that BAs generated more oxidative stress (OS) in the mutant. Co-administration of the antioxidant N-acetyl cysteine (NAC) and treatment under anaerobic conditions decreased drug lethality of the mutant, further indicating AD involvement. The greater OS in this strain results from impaired capacity to quench endogenous ROS, e.g, respiration- linked electron leakage. Infection by UPEC in mice showed that AD was important for UPEC antibiotic reistance also in vivo. Disruption of AD by eliminating quencher proteins, or those of pentose phosphate pathway (which provides NADPH for quenching oxygen radicals) also generated greater OS and killing by BAs. Thus, BAs kill stationary-phase bacteria also by generating OS, and targeting AD can therefore enhance their efficacy. Using bioinformatics, small molecule compounds were identified towards this end, and initial results have given promising results. In space flights, astronauts often suffer from UPEC infection. The EcAMSat mission, using a highly sophisticated microfluidic system showed that UPEC missing s^shad increased sensitivity to gentamicin also in space. We have also developed method for determining resistance at single cell level. Together, these results promise to provide powerfull means to combat bacterial antibiotic resistance.

18:15: [OxidativeWedPM314] OL
Stretchable Electrochemicl Sensor for Real Time Monitoring of ROS/RNS Signaling and Oxidative Stress in Mechanotransduction
Wen-ting Fan¹ ; Yan-ling Liu¹ ; Wei-hua Huang¹ ; ¹Wuhan University, Wuhan, China;
Paper Id: 556 [Abstract]

Cells in the body reside in dynamic mechanical milieus and can sense mechanical forces and then translate them into biochemical signals via mechanotransduction. Reactive oxygen/nitrogen species (ROS/RNS) are closely involved in cellular oxidative stress and physiopathological states, and real-time acquiring the information of ROS and RNS signaling during cell mechanotransduction is vitally important to reveal their complicated roles. Owing to rapid response and excellent sensitivity, electrochemical sensing has been extensively used for tracking ROS/RNS signaling in living cells. However, conventional electrochemical sensors are rigid and fail to comply with the shape changes of soft cells, and this greatly limits the accurate measurement of ROS/RNS signaling during cell mechanotransduction. To this end, we have designed a series of stretchable electrodes based on gold nanotubes, carbon nanotubes and conductive polymer nanofibers [1,2]. These sensors possess good electrochemical stability against mechanical deformations and can be easily deformed to achieve the dynamic stretching of cells. Further, we have also introduced high-performance catalysts (e.g, platinum nanoparticles and biomimetic catalysts) to confer the stretchable sensing interfaces with prominent electrocatalytic property toward ROS and RNS [3]. Based on these stretchable electrochemical sensors, we have successively achieved the real-time monitoring of stretch-induced NO and H2O2 molecules [3,4], and the simultaneous monitoring of them by a single device during endothelial mechanotransduction [5]. Besides, the developed stretchable electrochemical sensors have been also employed to explore the ROS and RNS signaling during mechanotransduction of chondrocytes and lung cells, which demonstrate excessive or acute mechanical loading can evoke severe oxidative stress [2]. These researches present efficient platforms to evaluate the oxidative stress level in dynamic mechanotransduction, which benefit to the understanding of the role of mechanical cues in cell biology.

References:
[1] Y.L. Liu, Z.H. Jin, Y.H. Liu, X.B. Hu, Y. Qin, J.Q. Xu, C.F. Fan, W.H. Huang. Angew. Chem. Int. Ed. 55 (2016) 4537-4541.
[2] Y.L. Liu, W.H. Huang. Angew. Chem. Int. Ed. 60 (2020) 2757-2767.
[3] W.T. Fan, Y. Qin, X.B. Hu, J. Yan, W.T. Wu, Yan, Y.L. Liu, W.H Huang. Anal. Chem. 92 (2020) 15639-15646.
[4] Y.L. Liu, Y. Qin, Z.H. Jin, X.B. Hu, M.M. Chen, R. Liu, C. Amatore, W.H Huang. Angew. Chem. Int. Ed. 56 (2017) 9454-9458.
[5] W.T. Fan, Y. Zhao, W.T. Wu, Y. Qin, J. Yan, Y.L. Liu, W.H Huang. Anal. Chem. 94 (2022) 7425-7432.

SESSION: SISAMMonAM-R2	Mizutani International Symposium (6th Intl. Symp. on Science of Intelligent & Sustainable Advanced Materials (SISAM))
Mon. 28 Nov. 2022 / Room: Ballroom A
Session Chairs: Jean-Marie Dubois; Session Monitor: TBA

11:30: [SISAMMonAM01] OS
SISAM 2022: a Brief Introduction to the Symposium in the Honour of Prof. Uichiro Mizutani
Jean-marie Dubois¹ ; ¹Institut Jean Lamour, Nancy, France;
Paper Id: 461 [Abstract]

We shall be happy to convene in Phuket on the occasion of the 2022 Sustainable Industrial Processes Summit to celebrate the lifetime achievements of Prof. Dr Uichiro Mizutani from University of Nagoya, Japan. Uichiro received his higher education in this university and then moved to the United States for a post-doc under the supervision of Prof. Massalski at the Mellon Institute in Pittsburg. When back to Japan, he returned to Nagoya where he took a position first as a research fellow and then as an associate professor. This took him to become a full professor and head of a laboratory for the rest of his career until he retired from public education in Japan. He then became a fellow of the famous Toyota Physical and Chemical Research Institute where he still serves as a senior fellow. The career of Uichiro Mizutani is a magnificent example of a full dedication to one key topic in solid-state physics, i.e. the understanding of the behaviour of electrons in metals [1]. This behaviour explains the stability of solid and liquid metals, and provides definite clues to understand why Nature selects specific atomic architectures among the infinite number of possible configurations. It was a matter of interest already before the invention of quantum mechanics in the early 2Oth century, but became a central aspect of solid-state physics when the principles of quantum mechanics were applied to this subject by Fermi, Born, and many others. The invention of quantum mechanical computing techniques made it fully operational in more recent years. Mizutani and his collaborators pioneered the application of this approach to a huge variety of metallic crystals, including complex ones like quasicrystals, their periodic counterparts, and amorphous systems, thus rising a unique body of knowledge and understanding of those systems [2]. Of special relevance is their complete description of the so-called Hume-Rothery rules that explain the formation and stability of many complex crystals and which before them was more a matter of experimental discovery rather than a deeper theoretical insight. Quite a few more fields have benefitted from Mizutani’s work, such as e.g. metallic glasses, or thermoelectric, or superconducting materials. In the end, Mizutani is to be considered as the living key figure in the field of metals and alloys, to be compared with his very few predecessors who like him where honoured by the Hume-Rothery award of the TMS in preceding decades (e.g. Jacques Friedel in France or Sir Nevill Mott in the U.K.). A summary of the many prizes and awards, which were presented to Prof. Mizutani over the years can be found on the SIPS 2022 website [3]. The symposium that is dedicated to honour the achievements of Uichiro Mizutani will focus on a short list of his many pioneer results and will provide an insight into few future developments of his work.

References:
[1] U. Mizutani, “Introduction to the Electron Theory of Metals”, Cambridge University Press, (2001).
[2] U. Mizutani et al., Chem. Soc. Rev., 2012, 41, 6799–6820, DOI: 10.1039/c2cs35161g.
[3] https://www.flogen.org/sips2022/Uichiro_Mizutani.php

11:55: [SISAMMonAM02] OS Plenary
The theoretical Hume-Rothery electron concentration rule in designing new functional materials with a pseudogap across the Fermi level (Part 1)
Uichiro Mizutani¹ ; Hirokazu Sato² ; ¹Nagoya Industrial Science Research Institute, Nagoya, Japan; ²Aichi University of Education, Kariya-shi, Japan;
Paper Id: 373 [Abstract]

The lecture will address one of the key aspects of the behavior of electrons in metallic systems, which explains why certain specific atomic architectures form in so-called intermetallics. This mechanism is known after the name of its discoverer, William Hume-Rothery (1899-1968), a most famous British metallurgist. The Hume-Rothery electron concentration rule was empirically established by Hume-Rothery (1926) almost a century ago [1] and has significantly affected subsequent tremendous developments in the field of metal physics. Academic aspirations have been revived in the late 1980s to early 1990s, when stable quasicrystals were synthesized by using the empirical Hume-Rothery rule as a guide [2]. We have soon realized that a pseudogap at the Fermi level plays a key role in stabilizing these complex compounds. Mizutani and Sato developed a unique electron theory of metals, which allows us to link the Hume-Rothery rule with the formation of a pseudogap [3-5]. It fully relies on the interference phenomena of itinerant electrons with the set of lattice planes, regardless of the degree of orbital hybridization effects involved, and the theoretical Hume-Rothery rule thus established have been extended to alloys and compounds with bonding types of metallic, ionic, or covalent, or a changing mixture of these, unless the number of itinerant electrons in the valence band is too low. The original Hume-Rothery rule was claimed to hold in randomly substituted alloys. More recently, we have confirmed that the theoretical Hume-Rothery rule is extendable to randomly substituted alloys beyond first-principles electronic structure calculations. It has therefore direct relevance to a huge variety of compounds that show electronic conductivity. Examples are quasicrystals Al₈₆Mn₁₄ [6], Al₆₅Cu₂₀Fe₁₅ [2], Samson compound Al₃Mg₂ containing 1178 atoms per unit cell [7], amorphous alloys V_xSi_100-x (x>20) [8], marginal conductor FeS₂ [9] and so on.

References:
[1] W. Hume-Rothery, J. Inst. Metals, 35 (1926) 295.
[2] An-Pang Tsai, A. Inoue and T. Masumoto, Jpn. J. Appl. Phys. 26 (1987) L1505-L1507.
[3] U. Mizutani, “<i>Hume-Rothery Rules for Structurally Complex Alloy Phases</i>”, CRC Press, Taylor & Francis Group, Boca Raton, Florida, (2010).
[4] U. Mizutani and H. Sato, Crystals, 7 (2017) 1-112.
[5] U. Mizutani, H. Sato and T. B. Massalski, Prog. Mat. Sci. 120 (2021) 100719-1-36.
[6] D. Shechtman, I. Blech, D. Gratias and J. W. Cahn, Phys. Rev. Letters 53 (1984) 1951-1953.
[7] S. Samson, Acta Crystallogr. 19 (1965) 401-413.
[8] U. Mizutani, T. Ishizuka and T. Fukunaga, J.Phys.: Condens.Matter 9 (1997) 5333-5353.
[9] T. Homma, U. Mizutani and H. Sato, Philos. Mag., 100 (2020) 426-455.

12:20: [SISAMMonAM03] OS Plenary
The theoretical Hume-Rothery electron concentration rule in designing new functional materials with a pseudogap across the Fermi level (Part 2)
Uichiro Mizutani¹ ; Hirokazu Sato² ; ¹Nagoya Industrial Science Research Institute, Nagoya, Japan; ²Aichi University of Education, Kariya-shi, Japan;
Paper Id: 451 [Abstract]

The lecture will address one of the key aspects of the behavior of electrons in metallic systems, which explains why certain specific atomic architectures form in so-called intermetallics. This mechanism is known after the name of its discoverer, William Hume-Rothery (1899-1968), a most famous British metallurgist. The Hume-Rothery electron concentration rule was empirically established by Hume-Rothery (1926) almost a century ago [1] and has significantly affected subsequent tremendous developments in the field of metal physics. Academic aspirations have been revived in the late 1980s to early 1990s, when stable quasicrystals were synthesized by using the empirical Hume-Rothery rule as a guide [2]. We have soon realized that a pseudogap at the Fermi level plays a key role in stabilizing these complex compounds. Mizutani and Sato developed a unique electron theory of metals, which allows us to link the Hume-Rothery rule with the formation of a pseudogap [3-5]. It fully relies on the interference phenomena of itinerant electrons with the set of lattice planes, regardless of the degree of orbital hybridization effects involved, and the theoretical Hume-Rothery rule thus established have been extended to alloys and compounds with bonding types of metallic, ionic, or covalent, or a changing mixture of these, unless the number of itinerant electrons in the valence band is too low. The original Hume-Rothery rule was claimed to hold in randomly substituted alloys. More recently, we have confirmed that the theoretical Hume-Rothery rule is extendable to randomly substituted alloys beyond first-principles electronic structure calculations. It has therefore direct relevance to a huge variety of compounds that show electronic conductivity. Examples are quasicrystals Al86Mn14 [6], Al65Cu20Fe15 [2], Samson compound Al3Mg2 containing 1178 atoms per unit cell [7], amorphous alloys VxSi100-x (x>20) [8], marginal conductor FeS2 [9] and so on.

References:
[1] W. Hume-Rothery, J. Inst. Metals, 35 (1926) 295.
[2] An-Pang Tsai, A. Inoue and T. Masumoto, Jpn. J. Appl. Phys. 26 (1987) L1505-L1507.
[3] U. Mizutani, “Hume-Rothery Rules for Structurally Complex Alloy Phases”, CRC Press, Taylor & Francis Group, Boca Raton, Florida, (2010).
[4] U. Mizutani and H. Sato, Crystals, 7 (2017) 1-112.
[5] U. Mizutani, H. Sato and T. B. Massalski, Prog. Mat. Sci. 120 (2021) 100719-1-36.
[6] D. Shechtman, I. Blech, D. Gratias and J. W. Cahn, Phys. Rev. Letters 53 (1984) 1951-1953.
[7] S. Samson, Acta Crystallogr. 19 (1965) 401-413.
[8] U. Mizutani, T. Ishizuka and T. Fukunaga, J.Phys.: Condens.Matter 9 (1997) 5333-5353.
[9] T. Homma, U. Mizutani and H. Sato, Philos. Mag., 100 (2020) 426-455.

SESSION: SISAMMonPM1-R2	Mizutani International Symposium (6th Intl. Symp. on Science of Intelligent & Sustainable Advanced Materials (SISAM))
Mon. 28 Nov. 2022 / Room: Ballroom A
Session Chairs: Ryoji Asahi; Session Monitor: TBA

14:00: [SISAMMonPM105] OS Plenary
ABOUT THE E/A RATIO: HOW IT HELPS UNDERSTANDING SOME APPLIED PROPERTIES OF CMAs (Part 1)
Jean-marie Dubois¹ ; ¹Institut Jean Lamour, Nancy, France;
Paper Id: 404 [Abstract]

This SISAM 2022 symposium is about the lifetime achievements of Prof. Uichiro Mizutani. Among many other breakthroughs, Mizutani and his collaborators were able to define in an unambiguous way the so-called e/a ratio [1], which is a measure of the number of electrons an atom shares with the Fermi sea in an intermetallic to achieve structural stability of a given crystal architecture. Although computation of this number requires periodicity of the lattice, the concept can be extended to aperiodic metallic systems such as quasicrystals [2]. It turns out that the e/a ratio found for truly aperiodic quasicrystals as well as weakly periodic crystals of giant unit cell (the so-called approximants) corresponds to a very specific value: e/a=2.2 ± 0.1 e-/at [3]. This way, the basic assumption of An Pang Tsai [4], who discovered most of the thermodynamically stable quasicrystals using e/a, was confirmed, yet with e/a defined with no questionable assumption and a clearly assessed mechanism for the contribution of the individual atoms to the valence band. The formation of a pseudo-gap at the Fermi energy was discovered and documented using soft X-ray spectroscopy by my late colleague, Esther Belin-Ferré [5,6]. It was well illustrated in a family of Al-based intermetallics spanning a broad range of e/a values. The deepening of the pseudo-gap around the e/a=2.2 e-/at value is clearly observable for stable compounds. The talk will report how this data helped us to understand two properties of practical interest of quasicrystals and related compounds. The first is the reduced wetting observed against polar liquids (like water) deposited on the polished surface of a quasicrystal equipped with its layer of native oxide in air [7]. The second is friction or solid-solid adhesion measured in vacuum against metallic antagonists like hard-Cr steel [8]. Both properties emphasize the role of the reduced density of free electrons in the material and indeed correlate with the electronic conductivity of these specific materials.

References:
[1] U. Mizutani, M. Inukai, H. Sato, E.S.Z. Zijlstra, Chem. Soc. Rev. 41 (2012) 6799-6820.
[2] D. Shechtman, I. Blech, D. Gratias, J.W. Cahn, Phys. Rev. Lett. 53-20 (1984) 1951-54.
[3] U. Mizutani, H. Sato, M. Inukai, Y. Nishino, E.S. Zijlstra, Inorg. Chem. 54 (20125) 930-946. dx.doi.org/10.1021/ic502286q
[4] A.P. Tsai, Sci. Technol. Adv. Mater. 9 (2008) 013008 (20pp).
[5] A. Traverse, L. Dumoulin, E. Belin, C. Sénémaud, in Quasicrystalline Materials, Eds. Ch. Janot & J.M. Dubois, World Scientific, Singapore, 1988, pp. 399-408.
[6] E. Belin-Ferré, M. Klanjsek, Z. Jaglicic, J. Dolinsek, J.M. Dubois, J. Phys.: Condens. Matter 17 (2005) 6911-24.
[7] J.M. Dubois and E. Belin-Ferré, Appl. Adhes. Sci. (2015) 3:28. DOI: 10.1186/s40563-015-0046-0
[8] J.M. Dubois and E. Belin-Ferré, Sci. Technol. Adv. Mater., 15 (2014) 034804 (20pp). DOI:10.1088/1468-6996/15/3/034804

14:25: [SISAMMonPM106] OS Plenary
ABOUT THE E/A RATIO: HOW IT HELPS UNDERSTANDING SOME APPLIED PROPERTIES OF CMAs (Part 2)
Jean-marie Dubois¹ ; ¹Institut Jean Lamour, Nancy, France;
Paper Id: 452 [Abstract]

This SISAM 2022 symposium is about the lifetime achievements of Prof. Uichiro Mizutani. Among many other breakthroughs, Mizutani and his collaborators were able to define in an unambiguous way the so-called e/a ratio [1], which is a measure of the number of electrons an atom shares with the Fermi sea in an intermetallic to achieve structural stability of a given crystal architecture. Although computation of this number requires periodicity of the lattice, the concept can be extended to aperiodic metallic systems such as quasicrystals [2]. It turns out that the e/a ratio found for truly aperiodic quasicrystals as well as weakly periodic crystals of giant unit cell (the so-called approximants) corresponds to a very specific value: e/a=2.2 ± 0.1 e-/at [3]. This way, the basic assumption of An Pang Tsai [4], who discovered most of the thermodynamically stable quasicrystals using e/a, was confirmed, yet with e/a defined with no questionable assumption and a clearly assessed mechanism for the contribution of the individual atoms to the valence band. The formation of a pseudo-gap at the Fermi energy was discovered and documented using soft X-ray spectroscopy by my late colleague, Esther Belin-Ferré [5,6]. It was well illustrated in a family of Al-based intermetallics spanning a broad range of e/a values. The deepening of the pseudo-gap around the e/a=2.2 e-/at value is clearly observable for stable compounds. The talk will report how this data helped us to understand two properties of practical interest of quasicrystals and related compounds. The first is the reduced wetting observed against polar liquids (like water) deposited on the polished surface of a quasicrystal equipped with its layer of native oxide in air [7]. The second is friction or solid-solid adhesion measured in vacuum against metallic antagonists like hard-Cr steel [8]. Both properties emphasize the role of the reduced density of free electrons in the material and indeed correlate with the electronic conductivity of these specific materials.

References:
[1] U. Mizutani, M. Inukai, H. Sato, E.S.Z. Zijlstra, Chem. Soc. Rev. 41 (2012) 6799-6820.
[2] D. Shechtman, I. Blech, D. Gratias, J.W. Cahn, Phys. Rev. Lett. 53-20 (1984) 1951-54.
[3] U. Mizutani, H. Sato, M. Inukai, Y. Nishino, E.S. Zijlstra, Inorg. Chem. 54 (20125) 930-946. dx.doi.org/10.1021/ic502286q
[4] A.P. Tsai, Sci. Technol. Adv. Mater. 9 (2008) 013008 (20pp).
[5] A. Traverse, L. Dumoulin, E. Belin, C. Sénémaud, in Quasicrystalline Materials, Eds. Ch. Janot & J.M. Dubois, World Scientific, Singapore, 1988, pp. 399-408.
[6] E. Belin-Ferré, M. Klanjsek, Z. Jaglicic, J. Dolinsek, J.M. Dubois, J. Phys.: Condens. Matter 17 (2005) 6911-24.
[7] J.M. Dubois and E. Belin-Ferré, Appl. Adhes. Sci. (2015) 3:28. DOI: 10.1186/s40563-015-0046-0
[8] J.M. Dubois and E. Belin-Ferré, Sci. Technol. Adv. Mater., 15 (2014) 034804 (20pp). DOI:10.1088/1468-6996/15/3/034804

14:50: [SISAMMonPM107] OS Invited
Alloy design based on first-principles calculations from deductive to inductive approach
Ryoji Asahi¹ ; ¹Nagoya University, Chikusa-ku, Nagoya, Japan;
Paper Id: 414 [Abstract]

The first-principles calculations based on density functional theory (DFT) have succeeded in a broad range of systems thanks to accurate description of electronic structure and their transferability. Here we present some studies on alloys using the first-principles calculations to understand deductively mechanism of properties such as stability and superelasticity. Regarding the stability of the gamma-phase alloys, the Hume-Rother electron concentration rule was revisited in terms of the first-principles calculations. The detailed analysis elucidates an interaction between the Fermi surface and the Brillouin zone that results in pseudogap formation and stability of the system with a certain electron density [1]. The electron density also plays a significant role in Ti-Nb-Ta-Zr-O alloys called “gum metal” which shows high strength, low Young's modulus and high elastic deformability, simultaneously. These unusual properties can be understood by softening with a particular electron concentration and Zr-O nano-clusters to be obstacles for dislocation movement [2].<br /> Despite great success of the first-principles approach, it often faces at computationally-accessible simulation size typically within 1000 atoms and 100 ps. In recent year, machine learning potential (MLP) approach has been developed. Here the use of the first-principles calculations is extremely effective for data generation to construct MLP inductively. We demonstrate the design of RhAu alloy nanoparticles for NO decomposition catalysis using machine-learning approach [3]. A local similarity kernel based on the local atomic configuration is employed as descriptors which allow interrogation of catalytic activities. With data of the first-principles calculations on single crystals and their surfaces, MLP provides size- and composition-dependent catalytic activities of the nanoparticles.

References:
[1] Asahi, Sato, Takeuchi, Mizutani, Phys. Rev. B 71, 165103 (2005).\n[2] Nagasako, Asahi, Isheim, Seidman, Kuramoto, Furuta, Acta Mater. 105, 347 (2016).\n[3] Jinnouchi, Asahi, J. Phys. Chem. Lett. 8, 4279 (2017).

15:15: [SISAMMonPM108] OS Invited
Huge enhancement of thermoelectric dimensionless figure of merit in (Ag,Cu)2(S,Se,Te) and their electric power generation
Tsunehiro Takeuchi¹ ; ¹Toyota Technological Institute, Nagoya, Japan;
Paper Id: 377 [Abstract]

Recently, a huge magnitude of Seebeck coefficient was observed for metallic Cu₂Se under an unusual temperature gradient produced by an experimental set up consisting of the two-heaters. This material is characterized by a structure phase transition at about 400 K. Two heaters placed at the bottom and one side of sample produced a layered composite consisting of the low temperature phase (LTP) at the top surface and the high temperature phase (HTP) in the bottom. The composition of LTP varied with varying temperature during the phase transition, and eventually it became an insulator only in a very narrow temperature range. The insulating LTP staying on the metallic HTP allowed us to observe a large magnitude of Seebeck coefficient S exceeding a few mVK^-1 and rather small magnitude of electrical resistivity ρ as low as 1 mΩcm. These numbers led to a huge value of power factor PF = S²σ exceeding a few mWm^-1K^-2. Together with the small lattice thermal conductivity in association with the anharmonic lattice vibration, the dimensionless figure of merit ZT were increased to a surprisingly large value exceeding 470. [1] The variation of composition with varying temperature in the Cu₂Se LTP limits the large ZT-value only in a very narrow temperature range of a few K in width near 350 K, and this condition has prohibited us from utilizing it in practical applications. The problem about the narrow temperature range was eliminated by employing Ag₂S that also possess a structure phase transition between insulating low temperature phase and metallic high temperature phase. Despite that the magnitude of ZT was reduced to 20, the temperature width of the large ZT-value was extended to 40 K (390 K ≤ T ≤ 430 K). [2] The power generation from Ag₂S was also confirmed in the steady state condition, and the enhancement of power generation was found to appear above 390 K where ZT-value was strongly increased. The new phenomena introduced in this presentation provides us with a breakthrough in the technologies of thermoelectric power generation to contribute the construction of a low-energy-consuming, sustainable carbon neutral society.

References:
[1] D. Byeon et al., Nat. Comm.10, 1-7 (2019).
[2] G. Kim et al., J. Phys. D: Appl. Phys. 54, 115503 (2021).

SESSION: SISAMMonPM2-R2	Mizutani International Symposium (6th Intl. Symp. on Science of Intelligent & Sustainable Advanced Materials (SISAM))
Mon. 28 Nov. 2022 / Room: Ballroom A
Session Chairs: Tomoyuki Homma; Session Monitor: TBA

15:55: [SISAMMonPM209] OS Invited
Pseudogap Engineering of Fe2VAl Thermoelectric Heusler Compounds
Yoichi Nishino¹ ; ¹Nagoya Institute of Technology, Nagoya, Japan;
Paper Id: 379 [Abstract]

The Heusler compound Fe₂VAl is a potential candidate for thermoelectric applications because of the possession of a deep pseudogap across the Fermi level. Since the Seebeck coefficient varies systematically with the valence electron concentration (VEC), irrespective of doping elements, the net effect of doping is most likely to cause a rigid-band-like shift of the Fermi level from the central region in the pseudogap. Further increase in the Seebeck coefficient can be achieved by the V/Al off-stoichiometric composition change, so that Fe₂V_1+xAl_1-x alloys exhibit a large value of -160 μV/K for the n-type V-rich alloy (x=0.03) and 100 μV/K for the p-type Al-rich alloy (x=-0.03), coupled with a significant decrease in the electrical resistivity. Thus Fe₂V_1.05Al_0.95 achieves a large increase in the power factor up to 6.8x10^-3 W/mK², which is superior to that for half-Heusler compounds, skutterudites and Mg₂Si [1]. We believe that the large Seebeck coefficient for the V-rich alloys could be caused by an electronic structure modification of the pseudogap due to the V/Al off-stoichiometry effect. Improvement of the p-type thermoelectric performance has been investigated for Fe₂V_1.08-yTi_yAl_0.92 alloys, where the Seebeck coefficient changes in its sign from negative to positive at around VEC = 6.0 due to the Ti doping, and the peak value reaches approximately 120 μV/K at 350 K for y=0.22 [2]. As a result of a drastic reduction in the electrical resistivity, the power factor enhances to 3.7×10^-3 W/mK² at 300 K for y=0.30. The thermal conductivity increases with the Ti doping to 15.5 W/mK at 350 K for y=0.16, because of an increased stability of the L2₁ structure for VEC closer to 6.0, but then turns to decrease to approximately 12 W/mK for y=0.34. One of the issues for thermoelectric Fe₂VAl‐based compounds is to reduce the thermal conductivity as much as possible, while maintaining a high power factor. Heavy‐element Ta doping for the V/Al off‐stoichiometric alloys causes a drastic decrease in the thermal conductivity, leading to a large increase in the figure of merit <i>ZT</i> up to 0.29 at 400 K for Fe₂V_0.98Ta_0.05Al_0.92. High-pressure torsion (HPT) processing further reduces the thermal conductivity because of the production of ultrafine-grained structures with grain sizes less than 100 nm, which can be obtained through the suppression of grain coarsening due to the segregation of Ta during annealing [3]. Thus, a reduced thermal conductivity of 3.5 W/mK for Fe₂V_0.98Ta_0.10Al_0.92, combined with a large power factor, leads to <i>ZT</i> = 0.37 around 400 K, one of the highest values ever achieved for bulk Fe₂VAl-based thermoelectric materials.

References:
[1] Y. Nishino, Thermoelectric Energy Conversion: Theories and Mechanisms, Materials, Devices, and Applications, ed. by R. Funahashi (Woodhead Publishing, 2021) pp. 143-156.
[2] Y. Nishino, S. Kamizono, H. Miyazaki, K. Kimura, AIP Advances <b>9</b> (2019) 125003.
[3] K. Fukuta, K. Tsuchiya, H. Miyazaki, Y. Nishino, Appl. Phys. A <b>128</b> (2022) 184.

16:20: [SISAMMonPM210] OL Invited
INTERPRETATION of TEMPERATURE DEPENDENCE of THERMOELECTRIC PROPERTIES in FeS&lt;sub&gt;2&lt;/sub&gt; by FIRST PRINCIPLE CALCULATIONS
Tomoyuki Homma¹ ; Uichiro Mizutani² ; Hirokazu Sato³ ; Manabu Inukai⁴ ; Kakeru Masaki¹ ; Makoto Nanko¹ ; Masatoshi Takeda¹ ; ¹Nagaoka University of Technology, Nagaoka, Japan; ²Nagoya Industrial Science Research Institute, Nagoya, Japan; ³Aichi University of Education, Kariya-shi, Japan; ⁴Riken, Wako, Japan;
Paper Id: 417 [Abstract]

The FLAPW (full-potential linearized augmented plane wave)-Fourier (FF) theory has been developed by Mizutani and Sato and accomplished the development in 2021 [1]. This method can elucidate interaction between the Fermi surface and Brillouin zones when phase stabilities of compounds are discussed based on the extended zone scheme. We have examined compounds having cP12 structures using the FF theory and selected pyrite-type FeS₂ as a candidate of a thermoelectric material so that (1) it has a band gap at the Fermi energy (E_F) as an insulator, (2) itinerant electrons slightly remain near E_F and (3) the conduction and valence band structures at Γ show free electron and tight-binding like behavior, respectively [2].<br />　The thermoelectric properties of FeS₂ have been reported in some literatures. Nevertheless, while the electrical conductivity reveals semiconductor-like behavior; that is, it monotonically increases as the temperature increases, the Seebeck coefficient sometimes shows positive values only at low temperatures or exhibits just positive values in all the measured temperatures. Thus, the transport mechanism in FeS₂ is indeed unclear particularly for the bulk state. Thus, we used plain Fe and S powders and spark plasma sintering to fabricate the FeS₂ compounds and then measured the thermoelectric properties. The results of temperature dependence are compared with those calculated by the Boltzmann transport equation and electronic structure calculations.<br /> Fe and S powders were encapsulated in a Pyrex tube, mixed and heat treated at 625 K for 4 h in Ar atmosphere. However, due to the evaporation of S, the FeS₂ single phase could not be obtained. Then, the heat treatments were subjected to the mixtures several times, and finally pyrite-type FeS₂ had been acquired. The electrical conductivity shows 2 S/cm at room temperature and monotonically increases with increasing temperature. Though the Seebeck coefficient shows positive values at low temperatures below 500 K, it turns back negative values at high temperatures. When the Seebeck coefficient is calculated within a frame work of a constant relaxation time approximation using WIEN2k, all the Seebeck coefficient in the used temperature range gives rise to negative values. The discrepancies between the experimental and theoretical results will be discussed in view of the material preparation method , defects or effects of electron-phonon interactions.

References:
[1] U. Mizutani, H. Sato, T.B. Massalski, Prog. Mater. Sci. 120 (2021) 100719.\n[2] T. Homma, U. Mizutani, H. Sato, Phil. Mag. 100 (2019) 426-455.

16:45: [SISAMMonPM211] OS Invited
Electronic structures of complex phases : from bulks to surfaces
Emilie Gaudry¹ ; ¹Lorraine University, Nancy, France;
Paper Id: 471 [Abstract]

Because the typical length scale of their atomic structures can be large, quasicrystals and related phases are rightfully considered to be the most complex compounds in the crystal chemistry of inorganic structures. This complexity extends to the surface, thus leading to unique surface properties – at least when compared to those of conventional alloys. Examples include the non-wetting behavior [1] and the catalytic activities and selectivities [2] of Al-based quasicrystalline approximants. The surface properties of quasicrystal approximants and related phases are inherently tied to the peculiar atomic and electronic structures of the bulk crystals [3], which are best described by a stacking of highly symmetric polyhedra held by a network of bonds with a iono-covalent character. The detailed knowledge of the surface structures is a necessary prerequisite for further studies of surface properties. In this lecture, I will first show how methods based on the Density Functional Theory can help to determine surface structures, in combination with experimental measurements if applicable. I will then present a few examples to show how surface properties are controlled by their geometric and electronic structures.

References:
[1] K. Anand, V. Fournée, G. Prévôt, J. Ledieu, É. Gaudry, Non-Wetting Behavior of Al-Co Quasicrystalline Approximants Owing to their Unique Electronic Structures, Applied Materials & Interfaces (2020) 12 15793-15801
[2] É. Gaudry, C. Chatelier, D. Loffreda, D. Kandaskalov, A. Coati, L. Piccolo, Catalytic activation of a non-noble intermetallic surface through nanostructuration under hydrogenation conditions revealed by atomistic thermodynamics, Journal of Materials Chemistry A (2020) 8 7422-7431
[3] É. Gaudry An introduction to the theory of inorganic solid surfaces, submitted to “Inorganic Chemistry III” Elsevier, 2022

17:10: [SISAMMonPM212] OL Invited
Quasicrystals in Two Dimensions: From Metals To Molecules And Oxides.
Vincent Fournée¹ ; ¹Institut Jean Lamour, CNRS-Université de Lorraine, NANCY, France;
Paper Id: 453 [Abstract]

Quasiperiodic structures exhibit long-range order like normal crystals but they lack translational symmetry. Quasicrystals were first discovered as a new class of intermetallic compounds, now comprising hundreds of members in binary and ternary systems. They usually adopt either the icosahedral or the decagonal point group symmetry. The discovery of quasicrystals has led to a paradigm shift in crystallography and has attracted a large interest in the material science community, motivated by unexpected physical properties that could be linked to quasiperiodicity. This remarkable class of materials has also challenged our understanding of metal surfaces. An atomic scale description of their surfaces is especially important, as it forms the basis for understanding and predicting phenomena such as gas adsorption, metal epitaxy, and friction. Of interest also are studies of nucleation and growth of metal thin films on quasicrystalline surfaces, demonstrating that local pseudomorphic growth can occur due to preferred adsorption of the metal ad-species at specific sites of the surface quasilattice. The idea is that the complex potential energy surface of quasicrystalline surfaces could serve as a template to grow new 2D quasicrystalline systems. Here, we will review the different results obtained along this direction, from local peudomorphic growth of Al starfish islands on the 5-fold surface of the icosahedral i-Al-Cu-Fe quasicrystal [1] to pseudomorphic single layer high islands in the case of Ag/5f-Al-Pd-Mn [2] and up to the formation of complete 2D quasiperiodic metal layers (Pb, Bi or Sn) templated on various quasicrystalline surfaces [3]. Self-organized molecular films with long-range quasiperiodic order could also been grown by using the complex potential energy landscape of quasicrystalline surfaces as templates. The long-range order arises from a specific subset of quasilattice sites acting as preferred adsorption sites for the molecules, thus enforcing a quasiperiodic structure in the film [4]. Finally we will show some recent examples of 2D quasicrystalline oxide layers obtained by reduction of ABO3 perovskite thin films grown on Pt(111) [5,6].

References:
[1] T.A. Cai et al., Surface Science, 526 (2003) 115-120.
[2] B. Unal et al., Phys. Rev. Lett., 102 (2009) 196103.
[3] J. Ledieu et al., PRB Rapid Comm., 77 (2008) 073409.
[4] V. Fournée et al., ACS Nano, 8 (2014) 3646–3653.
[5] S. Förster et al., Nature, 502 (2013) 215–218.
[6] C. Ruano M. et al., Phyc. Chem. Chem. Phys., 24 (2022) 7253.

SESSION: SISAMTueAM-R2	Mizutani International Symposium (6th Intl. Symp. on Science of Intelligent & Sustainable Advanced Materials (SISAM))
Tue. 29 Nov. 2022 / Room: Ballroom A
Session Chairs: Norihiko Okamoto; Hidetoshi Miyazaki; Session Monitor: TBA

11:30: [SISAMTueAM01] OS Invited
Higher Manganese Silicides: Incommensurability and Thermoelectric Properties
Yuzuru Miyazaki¹ ; Nagendra. S. Chauhan¹ ; Kei Hayashi¹ ; ¹Tohoku University, Sendai, Japan;
Paper Id: 422 [Abstract]

Higher Manganese Silicides (HMSs) consist of two tetragonal subsystems (sublattices) of [Mn] and [Si] with an irrational c-axis length ratio γ = c_Mn/c_Si, forming an incommensurate Nowotny chimney-ladder (NCL) structure. The [Mn] subsystem has less displacive modulation of atomic sites and 3d electrons of Mn are responsible for the electronic conduction of this family. In contrast, significant displacive modulation of Si atoms in the [Si] subsystem effectively blocks the propagation of phonons and hence to reduce lattice thermal conductivity. A good thermoelectric (TE) material must have a high Seebeck coefficient S and electrical conductivity σ as well as a low thermal conductivity κ and HMSs can be thus regarded as potential TE materials. Using γ, the structure formula of HMSs is represented as MnSi_γ (γ~ 1.73) (Miyazaki et al, 2008). To comprehend the electronic structure of such complicated composite crystals and their solid solutions, we adopted the concept of valence electron counts, VEC. Based on the VEC concept, HMSs should exhibit a good p-type TE property as the VEC value is slightly smaller than 14. To further enhance p-type performance, a small amount of hole-doping, by a partial substitution of Cr, V, etc. for Mn, is necessary. In contrast, n-type materials can be synthesised by a partial substitution of Fe or Ru. The incommensurate nature of the present HMS family causes variety of nano/micro structures which enrich physico-chemical properties of the present silicide system. HMSs had a serious problem to form MnSi (monosilicide) striations during the solidification. We have discovered that the formation of such monosilicide striations originates from the temperature dependence of the γ-value, gradually increases from ~1.72 just below the solidification temperature to ~1.74 at around 800 K, with decreasing temperature. Such a change in γ is unfavorable for the practical use because it would easily cause mechanical cracks during heat cycles. We confirmed that the partial substitution of transition elements, e.g., Cr, Co and V for Mn sites effectively dissipates such striations as well as a moderate hole-doping which raises the TE power factor S²σ almost doubled at 800 K. For the Co and V-solid solutions, the γ-value is around 1.72 and less temperature-dependence and it would be thus ideal for the crack-free HMS-based TE materials.

11:55: [SISAMTueAM02] OS Invited
Improvement of thermoelectric conversion properties by controlling defects in half-Heusler NiZrSn compounds
Hidetoshi Miyazaki¹ ; ¹Nagoya Institute of Technology, Nagoya, Japan;
Paper Id: 406 [Abstract]

Half-Heusler NiZrSn alloys have excellent thermoelectric properties [1], mechanical strength [2], and oxidation resistance [3], and are being commercialized for the development of thermoelectric power generation devices that operate in high temperature environments. The excellent thermoelectric conversion properties of half-Heusler NiZrSn alloys are attributed to their semiconducting electronic structure with a narrow band gap near the Fermi level and low thermal conductivity. Although the half-Heusler structure with high crystal symmetry inherently results in high thermal conductivity, it has been confirmed by synchrotron powder diffraction [4] and X-ray absorption fine structure measurements [5] that in NiZrSn alloys, interstitial atomic defects exist in the vacancy sites and the surrounding atoms are distorted. This has been found to contribute to a significant decrease in thermal conductivity. In this presentation, we will show that high thermal conversion properties can be realized by utilizing the defect structure at the vacancy site, together with the latest research results.

References:
[1] S. Sakurada and N. Shutoh, Appl. Phys. Lett. 86, 082105 (2005).
[2] G.Rogl, A. Grytsiv, M. Gürth, A. Tavassoli, C. Ebner, A. Wünschek, S. Puchegger, V. Soprunyuk, W. Schranz, E.Bauer, H. Müller, M. Zehetbauer, P.Rogl, Acta Mater. 107, 178 (2016).
[3] O. Appel, G. Breuer, S. Cohen, O. Beeri, T. Kyratsi, Y. Gelbstein, and S. Zalkind, Materials 12, 1509 (2019).
[4] H. Miyazaki, T. Nakano, M. Inukai , K. Soda, Y. Izumi, T. Muro , J. Kim, M. Takata, M. Matsunami, S. I. Kimura, and Y. Nishino, Material. Mater. Trans. 55, 1209 (2014).
[5] H. Miyazaki, O. M. Ozkendir, S. Gunaydin, K. Watanabe, K. Soda and Y. Nishino , Sci. Rep. 10, 19820 (2020).

12:20: [SISAMTueAM03] OL Invited
Anisotropic Transport Properties in an Iron Aluminide Consisting of a Tunnel Framework Structure and Guest Aluminum Atoms
Norihiko Okamoto¹ ; Kosuke Fujiwara¹ ; Tomoki Hayashi¹ ; Tetsu Ichitsubo¹ ; ¹Tohoku University, Sendai, Japan;
Paper Id: 434 [Abstract]

One of the iron aluminides, usually denoted as Fe₂Al₅, is the major constituent phase of the coating layer in hot-dip aluminized steel sheets and has an orthorhombic crystal structure consisting of a tunnel-like framework and guest aluminum atoms encapsulated in the framework [1,2]. Fe₂Al₅ can be categorized as inclusion compounds like clathrate and skutterudite compounds, in which guest atoms are rattling inside a cage framework [3,4]. Since it exhibits very low lattice thermal conductivity and relatively large Seebeck coefficient [5], Fe₂Al₅ is considered as a potential thermoelectric material. In this study, to elucidate the origin of the low lattice thermal conductivity, crystal orientation dependence of the transport properties of Fe₂Al₅ was investigated by using single crystals grown by the Bridgman method. Seebeck coefficient, electrical resistivity and thermal diffusivity were measured along the <i>a</i>-, <i>b</i>- and <i>c</i>-axes of single-crystal samples. The lattice thermal conductivity was estimated with the Wiedemann-Franz law and the Lorenz number of 2.44×10^-8 (V²/K²) [6]. The experimental lattice thermal conductivity along the <i>c</i>-axis, which is the principal axis of the tunnel framework, is exceptionally lower than that estimated with the phonon dispersion relationships deduced by first-principles calculations under harmonic approximation. This implies that the anharmonicity of guest vibration along the <i>c</i>-axis plays a dominant role in reducing the lattice thermal conductivity. Such anharmonicity of the guest vibration was confirmed not only by the calculation of the potential energy surface around the guest site but also by internal friction measurement, which suggested frequent atomic jump of guest atoms along the <i>c</i>-axis within the tunnel framework. Besides, Fe₂Al₅ exhibits <i>n</i>-type conduction along the <i>b</i>-axis while <i>p</i>-type conduction along the <i>a</i>- and <i>c</i>-axes at room temperature. Such largely anisotropic electron/hole transport properties were consistently explained in terms of the anisotropic electronic band structure but do not correspond to the anisotropic crystal structure unlike in the case of lattice thermal conductivity.

References:
[1] U. Burkhardt, Y. Grin, M. Ellner, K. Peters, Acta Crystallogr. B, 50 (1994) 313-316.\n[2] N.L. Okamoto, J. Okumura, M. Higashi, H. Inui, Acta Mater., 129 (2017) 290-299.\n[3] B.C. Sales, D. Mandrus, R.K. Williams, Science, 272 (1996) 1325-1328.\n[4] G.S. Nolas, J.L. Cohn, G.A. Slack, S.B. Schujman, Appl. Phys. Lett., 73 (1998) 178-180.\n[5] K. Tobita, N. Sato, K. Kitahara, Y. Takagiwa, K. Kimura, Mater. Trans., 57 (2016) 1045-1049.\n[6] U. Mizutani, Introduction to the Electron Theory of Metals, Cambridge University Press, Cambridge (UK), 2001.

SESSION: SISAMTuePM1-R2	Mizutani International Symposium (6th Intl. Symp. on Science of Intelligent & Sustainable Advanced Materials (SISAM))
Tue. 29 Nov. 2022 / Room: Ballroom A
Session Chairs: Shigeru Horii; Session Monitor: TBA

14:00: [SISAMTuePM105] OS Invited
Materials development, module fabrication, and module evaluation for high-temperature thermoelectric power generation
Michihiro Ohta¹ ; Philipp Sauerschnig² ; Kazuki Imasato² ; Priyanka Jood² ; Takao Ishida² ; Atsushi Yamamoto² ; ¹National Institute of Advanced Industrial Science and Technolog (AIST), Tsukuba, Japan; ²National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan;
Paper Id: 387 [Abstract]

Thermoelectrics enable direct conversion of waste heat into useful electricity; therefore, they can play a crucial role in reducing carbon dioxide emissions and improving thermal management to create a sustainable society. There have been several important breakthroughs in enhancing the figure of merit (<i>zT</i>) of thermoelectric materials in this century. However, thermoelectric modules and technologies are used only in niche applications. The advanced thermoelectric materials have not yet been fully explored for module development, making a big technological valley between materials and module development. This talk focuses on recent challenges in bridging the technological valley between materials development, module fabrication, and evaluation methods for high-temperature thermoelectric power generation.<br />In PbTe and colusites (Cu and S-based systems), we have demonstrated high <i>zT</i> in the materials and corresponding high conversion efficiency in the modules [1,2,3,4]. For PbTe, the material’s <i>zT</i> was dramatically enhanced through nanostructuring and controlled doping. For colusites, material’s <i>zT</i> was dramatically enhanced by chemical composition tuning. In both systems, the improved electrical and thermal contact resistances between thermoelectric materials and electrodes, enhanced mechanical strength, and the optimized configuration of thermoelectric elements and modules led to high conversion efficiency and improved reliability of high-temperature power generation in the modules. <br />It is also important to develop technologies for reliably and accurately evaluating the power generation characteristics of the modules. In this work, interlaboratory testing was carried out using a mechanically durable Ni-based alloy module in characterization facilities developed the National Institute of Advanced Industrial Science and Technology (AIST), the German Aerospace Center (DLR), and so on to understand the differences in the evaluation methods from each other [5].<br />The PbTe-based materials and module were developed together with Prof. M. G. Kanatzidis of Northwestern University and Argonne National Laboratory. The colusites-based materials and module were developed together with Dr. K. Suekuni of Kyushu University, Dr. Y. Bouyrie of AIST, Dr. R. Chetty of AIST, and Dr. E. Guilmeau of CRISMAT. Interlaboratory testing performed together with P. Ziolkowski of DLR, Prof. E. Muller of DLR, Dr. R. Chetty of AIST, Dr. K. Okawa of AIST, Dr. Y. Amagai of AIST, and Dr. R. Funahashi.

References:
[1] X. Hu, P. Jood, M. Ohta, M. Kunii, K. Nagase, H. Nishiate, M. G. Kanatzidis, A. Yamamoto, <i>Energy Environ. Sci.</i>, 2016, <b>9</b>, 517-529.\n[2] P. Jood, M. Ohta, A. Yamamoto, M. G. Kanatzidis, Joule, 2018, <b>2</b>, 1339-1355.\n[3] Y. Bouyrie, R. Chetty, K. Suekuni, N. Saitou, P. Jood, N. Yoshizawa, T. Takabatake, M. Ohta, <i>J. Mater. Chem. C</i>, 2017, <b>5</b>, 4174-4184.\n[4] R. Chetty, P. Jood, M. Murata, K. Suekuni, M. Ohta, <i>Appl. Phys. Lett.</i>, 2022, <b>120</b>, 013501:1-7.\n[5] P. Ziolkowski, R. Chetty, P. Blaschkewitz, M. Ohta, A. Yamamoto, E. Müller., <i>Energy Technol</i>. 2020, <b>8</b>, 2000557:1-11.

14:25: [SISAMTuePM106] OS Invited
Recent progress in tri-axial magnetic alignment techniques
Shigeru Horii¹ ; Ataru Ichinose² ; ¹Kyoto University of Advanced Science, Kyoto, Japan; ²CRIEPI, Yokosuka, Japan;
Paper Id: 391 [Abstract]

In materials science, crystal growth technology is indispensable to maximize functionalities of materials. A practical method is the epitaxial growth technique such as melt-solidification using seed crystals and thin film growth on single-crystalline templates. Our group focuses on tri-axial grain-orientation using by a modulated rotating magnetic field (MRF)[1,2] as a room-temperature process. Recently, equipment that can generate a linear drive type of MRF [3] applicable to a continuous production process was developed. It can generate a kind of MRF by reciprocating an arrayed permanent magnet unit. The unit has two different portions of bending magnetic field and uniform magnetic field, and can generate MRF with static and rotating magnetic fields with 0.9 T. In this presentation, tri-axial (or biaxial) alignment of orthorhombic cuprate superconductor powders and simulation research on the design of the magnet arrays will be reported.

References:
[1] T. Kimura et al., Langmuir 22 (2006) 3464.
[2] T. Fukushima, S. Horii et al., Appl. Phys. Express 1 (2008) 111701.
[3] S. Horii et al., J. Cer. Soc. Jpn. 126 (2018) 885.

14:50: [SISAMTuePM107] OL Invited
Challenges for fluoride-ion conductors: Designing fluoride-ion conduction into layered materials
Tsuyoshi Takami¹ ; ¹Kyoto University, Kyoto, Japan;
Paper Id: 393 [Abstract]

The fluorine atom, the second smallest after the hydrogen atom, is characterized by its large electronegativity and small polarizability [1]. Thus, it has little effect on the crystal structure, even though it causes a large electron bias in materials. Because of these unique properties, the fluorine atom is called as ‘magic element’. Fluorine has brought tremendous benefits to our lives through heat-resistant plastics, pharmaceuticals, and pesticides. The oxidation reaction of fluoride ions with a high redox potential is also promising as fluoride-ion batteries. If a solid electrolyte with a sufficient high fluoride-ion conductivity is applied to all-solid-state FIBs, operation at room temperature would become possible. PbSnF₄ with a layered structure exhibits a superionic conductivity (> 10^-3 Scm^-1) at room temperature [2]. Besides it contains harmful lead in the crystal, however, it has a poor reduction resistance and there have been few reports of its incorporation into batteries. Recently, single crystals of fluorinated hexagonal BN were reported to exhibit a high in-plane fluoride-ion conductivity of 0.2 Scm^-1 at room temperature [3]. These reports propose that two-dimensional fluoride-ions diffusion is effective to enhance fluoride-ion conduction. In this lecture, we survey the core design principles that guide a high fluoride-ion conductivity. We conclude with a forward-looking discussion of the exciting link between fluoride-ions diffusion and layered structures in fluoride materials.

References:
[1] S. Dehnen, L. L. Schafer, T. Lectka, and A. Togni, Org. Lett. <b>23</b>, 9013 (2021).
[2] J. M. Reau, C. Lucat, J. Portier, P. Hagenmuller, L. Cot, and S. Vilminot, Mater. Res. Bull. <b>13</b>, 877 (1978).
[3] T. Takami, T. Saito, T. Kamiyama, K. Kawahara, T. Fukunaga, and T. Abe, Materials Today Physics <b>21</b>, 100523 (2021).

SESSION: SISAMTuePM2-R2	Mizutani International Symposium (6th Intl. Symp. on Science of Intelligent & Sustainable Advanced Materials (SISAM))
Tue. 29 Nov. 2022 / Room: Ballroom A
Session Chairs: Hiroshi Sakurai; Session Monitor: TBA

15:55: [SISAMTuePM209] OS Invited
Complex LPSO-type Mg alloys – a unique cluster-induced stabilization
Eiji Abe¹ ; ¹University of Tokyo, Tokyo, Japan;
Paper Id: 435 [Abstract]

Recent successful alloy-design showed that Mg alloys with addition of a small amount of Zn and Y (or rare-earth elements) reveal excellent mechanical properties including remarkably improved strength with a reasonable ductility [1]. One of the prominent microstructural features, which are believed to contribute for these excellent properties, is formation of a novel type of long-period structures [2-6]. The structures are fundamentally long-period stacking derivatives of a hexagonal close-packed structure (hcp-Mg), and the resultant stacking polytypes accompany a unique chemical order that occurs to synchronize with the corresponding stacking order; i.e., the synchronized long-period stacking/order (LPSO) structure [3, 6]. We have attempted to evaluate phase stability [7] as well as to construct model structures of the complex LPSO crystals, based on electron microscopy observations and first-principles calculations [4]. Structural characteristics are well represented by the TM₆RE₈ clusters with a L1₂-type short-range order (SRO) configuration, embedded in the local <i>fcc</i>-Mg layer of the LPSO [4, 5]. Interestingly, it turns out that the local electronic structures as well as relaxation behaviors of the SRO clusters significantly contribute to a phase stability. In the talk, I will describe a unique SRO cluster-induced phase stabilization, providing an important clue that leads to a universal concept on how we choose proper elements during alloy design.

References:
[1] Y. Kawamura, M. Yamasaki, Mater. Trans. 48 (2007) 2986.\n[2] E. Abe et al., Acta Mater. 50 (2002) 3845.\n[3] E. Abe et al., Philos. Mag. Lett. 91 (2011) 690.\n[4] D. Egusa, E. Abe, Acta Mater. 60 (2012) 166.\n[5] K. Yamashita et al., J. Alloys and Compounds 788 (2019) 277-282. \n[6] K. Guan et al., Scripta Mater. 207 (2022) 114282.\n[7] M. Egami et al., Materials and Design 188 (2020) 108452.

16:20: [SISAMTuePM210] OS Invited
Characterization of Battery Materials by X-ray Compton Scattering
Hiroshi Sakurai¹ ; Kosuke Suzuki¹ ; Tsuyoshi Takami² ; Yoshiharu Uchimoto² ; Naruki Tshuji³ ; Arun Bansil⁴ ; Bernardo Barbiellini⁵ ; Kazushi Hoshi¹ ; Yoshiharu Sakurai³ ; ¹Gunma University, Kiryu, Japan; ²Kyoto University, Kyoto, Japan; ³JASRI, Sayo, Japan; ⁴Northeastern University, Boston, United States; ⁵LUT University, Lappeenranta, Finland;
Paper Id: 401 [Abstract]

Compton-scattered X-ray spectra correspond to the electron momentum density in matter and reflect the wave function in the ground state [1]. Therefore, it is relatively easy to interpret the observed Compton-scattered X-ray spectrum by ab initio electronic structure calculations. The observed information is bulk-sensitive because prover X-rays have energies above 100 keV and are highly penetrating through materials. This research focuses on lithium-ion secondary battery materials. In green technologies such as electric vehicles, improvement of rechargeable battery materials is a key to enhance energy density and charge-discharge stability. In practical batteries, it is important to understand redox reactions and their spatial distribution. From a view point of redox reactions, we measured spinel LixMn2O4, a Li-ion battery cathode material. We found that the redox orbital in the lithium insertion and extraction process is mainly the oxygen 2p orbital [2], although the redox orbital has been considered to be manganese 3d states [3,4]. Furthermore, analysis of the shape of Compton-scattered X-ray spectra can be used as a new nondestructive testing (NDT) technique. We proposed S-parameter analysis to observe the spatial distribution of redox reactions in commercial batteries [5]. Our research shows that Compton scattering measurements can provide insight into the mechanism of lithium batteries and point the way to improved battery materials and new battery designs.

References:
references
[1] M. J. Cooper et al.,X-ray Compton Scattering (Oxford University Press, Oxford, 2004).
[2] K. Suzuki et al. Phys. Rev. Lett. 114, 087401 (2015).
[3] H. Berg et al., J. Mater. Chem. 9, 2813 (1999).
[4] G. E. Grechnev et al. Phys. Rev. B 65, 174408 (2002).
[5] K. Suzuki et al., J. Appl. Phys. 119, 025103 (2016).

16:45: [SISAMTuePM211] OL Invited
Structure-Dynamics Relationships in Metallic Glasses
Jürgen Eckert¹ ; ¹Erich Schmid Institute of Materials Science, Austrian Academy of Sciences & Montanuniversität Leoben, Leoben, Austria;
Paper Id: 500 [Abstract]

The atomistic mechanisms governing aging and rejuvenation in metallic glasses are still unclear. In-situ X-ray diffraction allows to investigate the structural rearrangements during annealing from 77 K up to the crystallization temperature of CuZrAlHfCo bulk metallic glass rejuvenated by high pressure torsion performed at cryogenic temperatures and at room temperature. The structural evolution was evaluated by dynamic mechanical analysis as well as by differential scanning calorimetry to determine relaxation dynamics and crystallization behavior. Using a measure of the configurational entropy calculated from the x-ray pair correlation function the structural footprint of the deformation-induced rejuvenation in bulk metallic glass is revealed. With synchrotron radiation temperature and time resolutions comparable to calorimetric experiments are possible. This opens new experimental possibilities allowing to unambiguously correlate changes in atomic configuration and structure to calorimetrically observed signals and can attribute those to changes of the dynamic and vibrational relaxations in glassy materials. The results suggest that the structural footprint of the β-transition is related to entropic relaxation with characteristics of a first-order transition. The DMA data shows that in the range of the β-transition non-reversible structural rearrangements are preferentially activated. The low temperature γ-transition is mostly triggering reversible deformations and shows a change of slope in the entropic footprint suggesting second order characteristics.

References:
1. M.F. Ashby, A.L. Greer, Metallic glasses as structural materials. Scripta Mater. 54, 321 (2006).
2. E.D. Cubuk, et al., Structure-property relationships from universal signatures of plasticity in disordered solids. Science 358, 1033 (2017).
3. X.L. Bian, G. Wang, J. Yi, Y.D. Jia, J. Bednarčik, Q.J. Zhai, I. Kaban, B. Sarac, M. Mühlbacher, F. Spieckermann, J. Keckes, J. Eckert, Atomic origin for rejuvenation of a Zr-based metallic glass at cryogenic temperature. J. Alloys Compd. 718, 254 (2017).
4. B. Sarac, Y.P. Ivanov, A. Chuvilin, T. Schöberl, M. Stoica, Z. Zhang, J. Eckert, Origin of large plasticity and multiscale effects in iron-based metallic glasses, Nat. Commun. 9, 1333 (2018).
5. X. Yuan, D. Şopu, F. Spieckermann, K.K. Song, S.V. Ketov, K.G. Prashanth, J. Eckert, Maximizing the degree of rejuvenation in metallic glasses. Scripta Mater. 212, 114575 (2022).
6. F. Spieckermann, D. Şopu, V. Soprunyuk, M.B. Kerber, J. Bednarčik, A. Schökel, A. Rezvan, S.V. Ketov, B. Sarac, E. Schafler, J. Eckert, Structure-dynamics relationships in cryogenically deformed bulk metallic glass. Nat. Commun. 13, 127 (2022).

SESSION: SISAMTuePM3-R2	Mizutani International Symposium (6th Intl. Symp. on Science of Intelligent & Sustainable Advanced Materials (SISAM))
Tue. 29 Nov. 2022 / Room: Ballroom A
Session Chairs: Jürgen Eckert; Session Monitor: TBA

17:50: [SISAMTuePM313] OS Invited
Atomic vibrations and trimeron order of the Verwey transition
Dominik Legut¹ ; ¹VSB - Technical University of Ostrava, Ostrava, Czech Republic;
Paper Id: 357 [Abstract]

In this talk we shed a light on hidden quantum properties in magnetite, the oldest magnetic material known to mankind. The study reveals the existence of low-energy waves that indicate the important role of electronic interactions with the crystal lattice as well as the lattice vibrations in both high-temperature cubic as well low-temperature monoclinic phases. This is another step to fully understand the metal-insulator phase transition mechanism in magnetite, and in particular to learn about the dynamical properties and critical behavior of this material in the vicinity of the transition temperature. The attentions of physicists in magnetite was attracted by a fact that at temperature of 125 K it shows an exotic phase transition, named after the Dutch chemist Verwey. This Verwey transition was also the first phase metal-to-insulator transformation observed historically. During this extremely complex process, the electrical conductivity changes by as much as two orders of magnitude and a rearrangement of the crystal structure takes place. Verwey proposed a transformation mechanism based on the location of electrons on iron ions, which leads to the appearance of a periodic spatial distribution of Fe2+ and Fe3+ charges at low temperatures as well as the orbital order. In this talk we confirm the fundamental components of this charge-orbital ordering are polarons – quasiparticles formed as a result of a local deformation of the crystal lattice caused by the electrostatic interaction of a charged particle (electron or hole) moving in the crystal based on the quantum-mechanical (density functional method) calculations. In the case of magnetite, the polarons take the form of trimerons, complexes made of three iron ions, where the inner atom has more electrons than the two outer atoms. Our study reveals a very accurate model of lattice vibrations for the high temperature phase as well as confirm the effect of the charge-orbital (trimeron) order on phonon energies and mean square displacements in the monoclinic(low-temperature) phase and hence to contribute to shed a light at the complexity of the Verwey transition. The work was published in [1-3].

References:
[1]E. Baldini, C.A. Belvin, M. Rodriguez-Vega, I. O. Ozel, D. Legut, A. Kozłowski, A. M. Oleś, K. Parlinski, P. Piekarz, J. Lorenzana, G. A. Fiete, and N. Gedik, Nature Physics 16 (2020), 541.
[2] S. Borroni, E. Baldini, V. M. Katukuri, A. Mann, K. Parlinski, D. Legut, C. Arrell, F. van Mourik, J. Teyssier, A. Kozlowski, P. Piekarz, O. V. Yazyev, A. M. Oleś, J. Lorenzana, and F. Carbone, Phys. Rev. B 96 (2017), 104308.
[3] P. Piekarz, D. Legut, E. Baldini, C. A. Belvin, T. Kolodziej, W. Tabi,A. Kozlowski, Z. Kakol, Z. Tarnawski, J. Lorenzana, N. Gedik, A. M. Olés, J. M. Honig, and K. Parlinski, Phys. Rev. B 103 (2021), 104303.

18:15: [SISAMTuePM314] OS Invited
Verification of T-x-y diagrams for the Ag-Cu-Ni-Au-Sn system
Vasily Lutsyk¹ ; Vera Vorob'eva¹ ; Maria Parfenova¹ ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation;
Paper Id: 209 [Abstract]

The detailed analysis of ternary systems that form the quinary Ag-Au-Cu-Ni-Sn has been performed to assemble 3D computer models of T-x-y diagrams. The usual 3 steps were followed [1]: (1) scheme of mono- and non-variant states in table and space (3D) forms, (2) phase diagram (PD) prototype and (3) T-x-y diagram of the real system. E.g., there are 14 invariant transformations within the system Ag-Cu-Sn (6 of them with the liquid phase participation). As a result, T-x-y diagram, Ag-Cu-Sn includes 56 horizontal (isothermal) planes and 111 ruled surfaces. Besides, it is formed by 8 pairs of liquidus and solidus surfaces, 4 surfaces of transus and 54 surfaces of solvus (33 of them is degenerated into the vertical edges of the prism). In total, PD consists of 241surfaces and 88 phase regions. Space (3D) computer model was tested by 3 isothermal and 5 polythermal cuts in the Atlas [2]. Errors were found: on isothermal cut 221^оC in [2, p. 179] which is pictured an extra phase region L+C+R2, and on the isopleths via point Е an extra phase region L+R2+R8 is depicted. An error, that violates the rule of contacting state spaces (two two- phase regions are adjacent), and three more inaccuracies are found [2, c. 181] on the isopleth А-S (0, 0.82, 0.18). Other 3 isopleths don’t contain the contradictions between the [2] and model variants. Analysis of all four ternary systems, forming the Ag-Cu-Ni-Sn quaternary system (A- B-C-D), led to a scheme of di-, mono and invariant states, formally describing the geometric structure of the T-x-y-z diagram. According to this scheme, it’s possible to say, that T-x-y-z diagram contains 11 hypersurfaces of liquidus and the region of liquid immiscibility. In addition to Ag (A), Sn (D) and Cu (Ni) or B (C) solid solution, as well as seven compounds, including the R3 (R9) solid solution, there is an internal liquidus surfaces of the R11 compound and a low- temperature polymorphic modification of the R9 (Ni 3 Sn) compound. Seven invariant transformations are expected, including five of quasiperitectical type, one - euthetic and one of polymorphic transformation between allotropic forms of Ni3Sn2. Partial validation of the geometric structure forecast of the quaternary system liquidus can be carried out based on the experiments [3-4] with alloys, rich in Sn (80, 90, 95 and 97 at. %) at 210^oC and at 250^oC. This work was been performed under the program of fundamental research SB RAS (project 0336- 2019-0008), and it was partially supported by the RFBR project 19-38-90035.

References:
1. Lutsyk V.I., Vorob'eva V.P. Three-Dimensional Model of Phase Diagram of Au-Bi-Sb\nSystem for Clarification of Thermodynamic Calculations // Rus. J. Phys. Chem. 2015. V. 89. No\n10. P. 1715-1722.\n2. Atlas of Phase Diagrams for Lead-Free Soldering compiled by A. Dinsdale, A.\nWatson, A. Kroupa et al. COST 531. ES Foundation, Brno, Czech Republic, 2008. V. 1. 289 pp.\n3. C.-N. Chiu, Y.-C. Huang, A.-R. Zi and S.-W. Chen. Isoplethal Sections of the Liquidus\nProjection and the 250 o C Phase Equilibria of the Sn-Ag-Cu-Ni Quaternary System at the Sn-Rich\nCorner // Materials Transactions. 2005. V. 46. No. 11. P. 2426-2430.\n4. S.-W. Chen, C.-N. Chiu, K.-C. Hsien. Phase Equilibria of the Sn-Ag-Cu-Ni\nQuaternary System at 210 o C // Journal of Electronic Materials, V. 36. No. 3. 2007. P. 197-206.

SESSION: OxidativeWedAM-R2	Yoshikawa International Symposium (2nd Intl. Symp. on Oxidative Stress for Sustainable Development of Human Beings)
Wed. 30 Nov. 2022 / Room: Ballroom A
Session Chairs: Christian Andre Amatore; Session Monitor: TBA

11:30: [OxidativeWedAM01] OL
Bioanalysis of placenta and umbilical cord: cross-talk with maternal and child diseases and therapeutic potential of natural products
Marilia Goulart¹ ; Marilene Fragoso² ; Raphaela Ferreira² ; Alane De Oliveira² ; Fabiana Moura² ; Mônika Oliveira² ; Tauane Rocha² ; Jadriane Xavier² ; Iara Valentim³ ; Rayane Botelho² ; Jaqueline Santos² ; Keyla Pires² ; Monique Nova² ; Camilla Mendes⁴ ; Karen Borbely² ; Alexandre Borbely² ; Antonio Euzebio Santana² ; ¹Federal University of Alagoas, Maceio, Brazil; ²Universidade Federal de Alagoas, Maceio, Brazil; ³Federal Institute of Education, Science and Technology of Alagoas, Maceio, Brazil; ⁴Universidade Federal de Alagoas, MACEIO, Brazil;
Paper Id: 235 [Abstract]

The placenta and umbilical cord roles during pregnancy are pivotal for fetal development and maternal health. The placenta is a unique immunological site responsible for maternal tolerance to the fetus and maternal and fetal defence against possible pathogens. Alterations on these organs can lead to dramatic outcomes, including maternal and fetal death. During pregnancy, their correct functioning also influences the newborn's development and the onset of future chronic diseases. Therefore, investigating them in different diseases can give a real picture of health at the time of birth. Among the maternal diseases, pre-eclampsia (PE) is one of the most important, and despite incomplete understanding, oxidative stress and inflammation are recognised as their biochemical basis [1]. Another important aspect related to maternal-child health during pregnancy is related to ZIKA Virus (ZIKV), which can be vertically transmitted and infects the fetus, which may develop congenital Zika syndrome, characterized by stillbirth/miscarriage, fetal growth restriction, microcephaly, ocular abnormalities, ventriculomegaly and other brain malformations [2]. As such, the aims of the present work are divided into two parts. The first one is related to the comparison of the redox imbalance and inflammation biomarkers in the placenta and umbilical cords of pregnancies with and without preeclampsia (PE), while the second one addresses the investigation of natural products, which may inhibit ZIKV infection of trophoblast cells, a good model to test ZIKV molecular interactions and potential interveners [3]. In the first part, a controlled cross-sectional study was conducted in Maceió-Alagoas-Brazil with pregnant women diagnosed with PE and healthy pregnant women (control group). After delivery, placenta and umbilical cords’ samples were collected to measure redox imbalance (antioxidant defence and oxidative damage) and inflammation biomarkers: myeloperoxidase (MPO), interleukin (IL) -6, IL-8, IL-10 and tumour necrosis factor-alpha (TNF-α). A total of 100 pregnant women with PE and 50 healthy pregnant women were studied. Higher placental levels of catalase (p = 0.018), SOD (p = 0.031), the GSH/GSSG ratio (p = 0.019) and IL-6 (p = 0.010) and lower GSSG (p = 0.001) were observed in pregnant women with PE than in the control group. As results, PE-derived placentas had high concentrations of some antioxidants (enzymes and thiols), which might be a compensation mechanism against oxidative stress. In the second topic, the potential of some natural extracts against ZIKV infection was evaluated using an in vitro method. Ethanolic extracts obtained from peels and complete fruits of pink pepper (Schinus terebinthifolius) could reduce ZIKV infection and modulate placental response to protect placentas from potential harms provoked by ZIKV infection. In conclusion, both studies unveil the role of specific antioxidants in protecting maternal-child health and provide extra value to products from family farming.

References:
[1] M.B.Tenório et al., OxiMed & Cellular Longevity (2019) Article ID 8238727.
[2] G.V França et al., Lancet 388 (2016) 891–7.
[3] P. Aldo et al., Am. J. Reprod. Immunol. 76 (2016) 348–357.

11:55: [OxidativeWedAM02] OL Keynote
DNA Nano Self-assemblies for the Application in Cancer Diagnosis and Therapy
Jun-jie Zhu¹ ; ¹Nanjing University, Nanjing, China, Nanjing, China;
Paper Id: 535 [Abstract]

Cancer is a conundrum in modern medicine and has become a serious threat to human health and life [1], thus the the early diagnosis and precise therapy are crucial to improve the cancer cure rates [2]. Taking advantage of the DNA nanotechnology, an RNA aptamer-based near-infrared gated nanodevice for low-background imaging of mRNA in living cells have been first developed based on the fluorescence enhancement property of RNA aptamer and the catalytic hairpin assembly reaction-mediated signal amplification strategy. Subsequently, DNA nanocarrier with excellent biological stability, strong enzymatic resistance and collaborative drugs delivery is constructed by functionalized circular DNA, which can effectively combat the multidrug-resistant human leukemia. Moreover, a multifunctional DNA-Au nanomachine integrating both diagnostic and therapeutic agents is proposed, which can be triggered by the endogenous mRNA, leading to the activation of multi-mode synergistic therapy and in situ imaging. These researches conducive to the accurate diagnosis and image-guided precise treatment of cancers, which may provide a new route for the construction of intelligent responsive theranostic nanoplatform.

References:
[1] H. Dong, J. Lei, L. Ding, Y. Wen, H. Ju, X. Zhang, Chem. Rev. 113 (2013) 6207.
[2] X. Zhang, Z. Xi, J. O. Machuki, Y. Yang, L. Zhang, J. Tian, K. Guo, Y. Yu, F. Gao, ACS Nano 13 (2019), 5306.

12:20: [OxidativeWedAM03] OL Keynote
Understanding the Physiological Roles of Oxidative Stress-induced Granules Using Micro/nano Electrochemical Measurements at Single Cell and Sub-cellular Levels
Keke Hu¹ ; Kim Long Le Vo² ; Alicia Lork³ ; Andrew Ewing³ ; ¹Xiamen University, Xiamen, China; ²Gothenburg University, Gothenburg, Sweden; ³Gothenburg University, gothenburg, Sweden;
Paper Id: 531 [Abstract]

Stress granules (SGs) are membrane-less organelles that assemble in the cytoplasm under unfavorable conditions, which is closed related with cancers and neurodegenerative diseases etc. To understand how SGs contribute to physiological functions, we used electrochemical measurements to detect oxidative stress-induced granules and investigate the effects of them in neurotransmission. We found that reactive oxygen species (ROS) are encapsulated inside arsenite-induced SGs, and H2O2 is the main species,which implicates SGs as communicators of the cellular stresses rather than a simple endpoint. In addition, the number of transmitter molecules released from single vesicles of Chromaffin cells decrease significantly while the production doesn’t show obvious alteration. This may explain how SGs regulate cellular metabolism and stress responses,which helps better understanding their cytoprotective functions in pathological conditions associated with SGs such as neurodegenerative diseases (NDs), cancers and viral infections.

References:
Angew.Chem.Int.Ed.2021,60,15302–15306

12:45: [OxidativeWedAM04] OL Keynote
Developing New Tools for Understanding the Processes of Oxidative Stress in the Brain
Yang Tian¹ ; ¹School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China;
Paper Id: 536 [Abstract]

Our group focuses on developing new devices and analytical methods for tracking of chemical and electrical signals simultaneously in the brain of free-moving animals. Systematic and in-depth research has been carried out on breaking the key bottleneck of real-time monitoring and quantification of from reactive oxygen species and oxidative stress related species in physiological and pathological processes with high selectivity, high accuracy, long-term stability, and designing new devices for brain imaging with high temporal resolution.[1-2] Firstly, the synergy strategy of molecular recognition and electrochemical recognition was proposed for achieving highly selective determination, and new approaches based on rational design of specific molecules with built-in calibration were established for accurate quantification in living brains.[3] Secondly, to challenge the real-time determination in the complicated brain, Au-S, Au-Se and Au-C≡C bonds were systematically investigated. The Au-C≡C bond showed the highest stability under thiol-rich biological conditions and the best electrochemical performance compared to the others. Furthermore, a more reliable sensing platform with long-term stability and anti-biofouling was constructed through rational integrating highly stable graphene-layered molecular interface, remarkably elongating the time dimension for real-time tracking of the dynamic changes in free-moving animals up from several hours to a record-long 60 days.[4] Thirdly, a SERS optophysiological probe was created for real-time mapping and recording of chemical and electrical signals without cross-talk in the live brain. Using this powerful tool, three new routes that causes Cu+ and Cu2+ change were discovered during ischemia: export from neurons; release from digested copper-containing proteins; conversion from Cu+ to Cu2+. Moreover, it was the first time that a Raman fibre photometry was built up for real-time tracking and simultaneous quantitation of multiple molecules in mitochondrial across the brain of free-moving animals. Meanwhile, a highly selective non-metallic Raman probe was created through triple-recognition strategies of chemical reaction, charge transfer, and characteristic fingerprint peaks, for monitoring and quantifying of local mitochondrial O2•-, Ca2+ and pH in six brain regions upon hypoxia. It was discovered that hypoxia-induced mitochondrial O2•- burst was regulated by ASIC1a, leading to mitochondrial Ca2+ overload and acidification.[5-7]

References:
1. Y. Liu, Z. Liu, Y. Tian. Acc. Chem. Res. 2022, DOI: 10.1021/acs.accounts.2c00333.
2. Y. Mei, Q. Zhang, Q. Gu, Z. Liu, X. He, Yang Tian. J. Am. Chem. Soc. 144, 2351-2359 (2022).
3. Zhou Wu, Mengmeng Liu, Zhichao Liu, Yang Tian. J. Am. Chem. Soc. 142, 16, 7532-7541 (2020).
4. Y. Liu, Z. Liu, F. Zhao, Y. Tian. Angew. Chem. Int. Ed. 60, 14429-14437 (2021).
5. Z. Liu, Z. Zhang, Y. Liu, Y. Mei, E. Feng, Y. Liu, T. Zheng, J. Chen, S. Zhang, Y. Tian. Angew. Chem. Int. Ed. 61, e202111630 (2022).
6. W. Wang, F. Zhao, M. Li, C. Zhang, Y. Shao, Y. Tian. Angew. Chem. Int. Ed. 58, 5256-5260 (2019).
7. E. Feng, T. Zheng, J. Chen, Y. Tian. Sci. Adv. 4, eaau3494 (2018).

SESSION: MedicineWedPM1-R2	Intl. Symp. on Technological Innovations in Medicine for Sustainable Development
Wed. 30 Nov. 2022 / Room: Ballroom A
Session Chairs: Shozo Yanagida; Esther Nachliel; Session Monitor: TBA

14:00: [MedicineWedPM105] OS Keynote
Theory Verification of Excellent Iodine Therapy for Prevention and Healing of Influenza
Shozo Yanagida¹ ; ¹Emeritus Professor of Osaka University, Ibaraki, Japan;
Paper Id: 99 [Abstract]

About 100 years ago, Chiyozo Makino, a director of Makino Iodine Research Institute (Japan) wrote in the book entitled "Epidemic Influenza" as follows; subcutaneous injection of iodide ion was effective in prevention and healing of Spanish flu, and that patients of tuberculosis (correctly pneumonia) were healed [1]. We now report on the basis of computational theory verification, i.e. density functional theory based molecular modeling (DFT/MM) [2][3] that all living cells become active by antioxidative action of iodide ions on mitochondria(mt) as power plants of living cells, and the patient's respiratory epithelial cells are regenerated by pluripotent stem cells full with activated mt, which means disappearance of the virus propagated in lung epithelial cells. Influenza virus and mt are both endoplasmic reticulum in living cells, and viral growth in living cells must impair mitochondrial metabolic function. DFT/MM verifies that mt’s energy production by consuming superoxide radical anion (O2.-) stops and the overproduced O2.- reduces hydrogen peroxide (HOOH), which is accumulated in mt of aged cells, into hydroxyl radical (HO.) [4]. Reductive production of HO. and the attack on virus causes oxidative degradation of virus membranes as is validated for oxidative degradation of mt membranes. The theory verification well explains that influenza patients will recover gradually as far as the mt in respiratory cell systems are working with breathing. I will discuss why iodine therapy works as antiviral agent as ethanol, quaternary ammonium chloride, and hypochlorous acid work as antibacterial agents in the medical field.

References:
[1] The book copy is owned by National Diet Library of Japan.
[2] Yanagida, S.; Osabe, K.; Nagai, T.; Murakami, N. Quantum chemistry molecular modeling for longevity: Importance of antioxidative effects in mitochondria as battery of cells. Integr. Mol. Med. 2019, 6, 1–6.
[3] Yanagida, S.; Kaname, A.; Murakami, N. Quantum chemistry-based verification of antioxidative action of iodide in mitochondria. Integr. Mol. Med. 2019, 6, 1–6.
[4] Yanagida, S.; Yanagisawa, S.; Murakami, N. Quantum chemistry molecular modelling for mitochondria targeted chemotherapy: Verification of oxidative stress on mitochondria and anticancer medicines. Integr. Mol. Med. 2020, 7, 1–7.)

14:25: [MedicineWedPM106] OS
Computational Reconstruction of Multi-Step Reactions
Menachem Gutman¹ ; Esther Nachliel² ; Eran Bosis³ ; ¹Tel Aviv University, Ramat Gan, Israel; ²Tel Aviv University, RAmat Hasharon, Israel; ³Department of Biotechnology Engineering, ORT Braude College of Engineering,, Karmiel 2161002, Israel, Israel;
Paper Id: 227 [Abstract]

Metabolic pathways are summation of many simultaneous parallel reactions with numerous interactions between the reactants. Here, a general mode capable of treating a large number of linked processes as a set of coupled kinetic equations is described, where all forward and backward reactions are expressed. The analysis is capable of considering multi component processes with high precision; determining the rate constants of partial reactions without neglecting any event, providing an insight into parameters like the local viscosity, the energy barrier, the diffusivity of the reactants in the reaction space and identify redundant pathways that are not essential for the process. The input for the analysis are time resolved signals generated by brief perturbation of the system; the analysis is carried out by integration of the differential rate equations that reconstruct the observed signals. The analysis was first implemented for experiments, where acid-base equilibria were perturbed by sub-nanosecond increments of the H+ concentration (1). The analysis was extended to study biological multi-equilibria systems like the interaction of Calmodulin with bio-membranes (2), the quality control of protein synthesis (3), proton-ion exchange between aqueous phases separated by a bio-membrane impregnated by a diffusing carrier (4), the sequential reactions involving the release of signaling small molecules by the pre-synaptic membrane, or the evaluation of the heterogeneous reactivity of the Syntaxin molecules on the inner leaflet of the plasma membrane (5). This chapter will discuss both the theoretical framework and as well as the methodology in order to make it applicable for diverged biochemical and chemical processes.

References:
1. Gutman M, Nachliel E. Time-resolved dynamics of proton transfer in proteinous systems. Annu Rev Phys Chem. 1997;48:329-56.
2. Sengupta P, Bosis E, Nachliel E, et al. EGFR juxtamembrane domain, membranes, and calmodulin: kinetics of their interaction. Biophys J. 2009;96(12):4887-95.
3. Bosis E, Nachliel E, Cohen T, et al. Endoplasmic reticulum glucosidase II is inhibited by its end products. Biochemistry. 2008;47(41):10970-80.
4. Bosis E, Nachliel E, Cohen T, et al. Endoplasmic reticulum glucosidase II is inhibited by its end products. Biochemistry. 2008;47(41):10970-80.
5. Bar-On D, Gutman M, Mezer A, Ashery U, Lang T, Nachliel E. Evaluation of the heterogeneous reactivity of the syntaxin molecules on the inner leaflet of the plasma membrane. J Neurosci. 2009;29(39):12292-301.

14:50: [MedicineWedPM107] OS
Characterization of the nano scale heterogeneity at the solvent – interface of bio-structures
Esther Nachliel¹ ; Menachem Gutman² ; ¹Tel Aviv University, Tel Aviv, Israel; ²Tel Aviv University, Ramat Gan, Israel;
Paper Id: 232 [Abstract]

On the nm scale, cellular constituents are highly heterogeneous: the dielectric constant boundaries, the uneven dispersion of fixed and mobile charges, partial ordering of water molecules create an environment where the local chemical and physical properties differ from one site to another. The study of this ‘ensemble” requires a methodology that can discriminate among nm size sites, where a “gauging” particle will remain for not more than few ns. This requirement is readily met by proton pule experiments (1). The photo-excited state of certain aromatic compound are very acidic (pK*< 2) and by illumination ejects a proton to the solvent. The released proton diffuses within the immediate vicinity and may recombine with the excited anion (ϕO-*) in response to its electric field reforming the ϕOH* state. Altogether, the observation time is few ns and the distance the proton can disperse, before the molecule relaxes to its ground state, is ~2-4 nm, thus assuring a localized observation (2). Judicious insertion of the photo-acids, like pyranine, into a well-defined environment (3) enables quantitative evaluation of the physical-chemical properties of the immediate vicinity of the site. The various studies were spread over a large biological domains; like active site of proteins (Apomyiglobin, lac permease), or the water filled space of a Large-Pore Channel protein (PhoE) or the interface between solvent and carbohydrate molecule (cyclodextrine), the aquose phase between lipid bilayer (multilamentar) and the reverse micelles of different radiuses. The micro loci are characterized by a lower chemical activity of the water, modulated diffusion coefficient, enhanced electrostatic field and highly affected by the geometry of the local space.

References:
1. Time-resolved dynamics of proton transfer in proteinous systems; M. Gutman and E. Nachliel. Annu. Rev. Phys. Chem. 1997. 48:329–56
2. Elementary Steps in Excited-State Proton Transfer† Noam Agmon. J. Phys. Chem. A 2005, 109, 13-35.
3. Gauging of the PhoE Channel by a Single Freely Diffusing Proton Sharron Bransburg-Zabary, Esther Nachliel, and Menachem Gutman. Biophysical Journal Volume 83 December 2002 2987–3000.

15:15: [MedicineWedPM108] OS
Potent agent against atherosclerosis
Mariia Kaidash¹ ; ¹Institute for Single Crystals, Kharkiv, Ukraine;
Paper Id: 532 [Abstract]

This work contributes to the chemistry of chromones. Chromone is a privileged scaffold for drug discovery.[1] Variety of useful properties of naturally occurring chromones encourage to expect interesting types of biological activity in newly synthetized chromone derivatives.[2] However, structural modification of chromone scaffold is not a trivial task because of the instability of their γ-pyrone cycle. Which methods could be applied to modify the chromone moiety? We answer this question by presentation of rapid and effective three-step domino reaction, which delivers a wide library of novel substituted chromenopyrrolones.[3,4] Application of a chemiluminescent assay demonstrates ability of isolated chromenopyrrolones to inhibit mammalian tissue nonspecific alkaline phosphatase in micromolar range of concentrations.[4] This kind of biological activity was not reported for chromone derivatives to date. Elevated levels of the given enzyme causes pathological hypercalcification disorders in soft tissues in the body. Potently chromenopyrrolone inhibitors of alkaline phosphatase can find application as therapeutic agents in treatment of atherosclerotic lesions.

References:
[1] – R. Musiol, Expert Opinion on Drug Discovery 12 (2017) 583.
[2] – J. Reis, A. Gaspar, N. Milhazes, F. Borges, J. Med. Chem. 60 (2017) 7941.
[3] – T. A. N. Tien, M. Miliutina, R. Radolko; R. Thom, T. T. Dang, P. Ehlers, P. Langer, Tetrahydron 104 (2022) 132608.
[4] – M. Miliutina, Y. Ivon, Y. Slobodianiuk, S. A. Ejaz, J. Iqbal, A. Villinger, V. O. Iaroshenko, P. Langer, Chem. Heterocycl. Comp. 55 (2019) 465.

SESSION: covid19WedPM2-R2	International Symposium on COVID-19/Infectious Diseases & their implications on Sustainable Development
Wed. 30 Nov. 2022 / Room: Ballroom A
Session Chairs: Grigory Korablev; Luc Hens; Session Monitor: TBA

15:55: [covid19WedPM209] OS
Environmental and sustainability aspects of the Covid pandemic
Luc Hens¹ ; Nguyen Van Thanh² ; Dang Thanh Le³ ; ¹Vlaamse Instelling voor Technologisch Onderzoek (VITO), , Belgium; ²Haiphong University, , Vietnam; ³National Academy of Public Administration of S.R. of Vietnam, , Vietnam;
Paper Id: 323 [Abstract]

The ongoing Covid-19 pandemic is a once in a lifetime experience for the contemporary generations. During the first months of the worldwide epidemy most scientific attention was given to the medical, and in particular the epidemiology and virology aspects. Gradually the reciprocal impact of the environmental quality on the transmission of the virus and the effects of the lockdown to control the transmission become documented and it becomes clear that the disease and the way countries limit its transmission, also had environmental aspects and impacts on sustainability. Sustainable development includes roughly aspects related to economy, society, and environment. The lockdown, which was installed in many countries to limit social contacts and consequently the spread of the disease, has a strong effect on the economy from local to global: In many sectors people lose their jobs, companies struggle with a decreasing profitability, and countries do not know yet how to deal with the financial craters in their budget as a consequence of the ongoing mitigation measures. A systematic 3 R (Reasons-Responses-Recommendations) study reported mainly negative effects on 13 out of the 17 UN Sustainable development goals. Social isolation, considered the most efficient way for a population to control the spread of the SARS-Cov-2 virus, causes psycho-social problems among elderly, young people and other groups in society. It is associated with an increase in security problems and profoundly disturbs tourism and migration. The infection incidence is higher among the poor. At the environmental side the number of and the data on affected aspects either directly by Covid-19 or indirectly through the measures to limit the infection incidence, increase fast. Of notice in the recent literature are:  The seasonal transmission of the disease: Covid-19 depends on temperature and humidity. The virus exists during winter, but as soon as the temperature rises there is less transmission. A 1°C rise in temperature reduces transmission by 13%. The infection doubling time corelates inversely with humidity.  Covid-19 first infects the upper respiratory tract causing dry cough and fever, and spreads afterwards progressively to the lower respiratory tract and other organs. Therefore interaction with pollutants such as PM2.5, NOx, ozone and SO2 in susceptible groups is not surprising. A minor increase of 1 microgram in PM2.5 concentration is linked with an increase in time on a ventilator in hospitalized patient and possibly an 8% increase of the Covid-19 death rate.  Population density: a correlation study in 5 states in India showed that the corona virus spread depends on the spatial distribution of the population density in 3 of these states.  At the same time lock-down measures resulted in drastic improvements in the air and water quality in many cities worldwide as a result of a reduction in traffic and industrial activities. This equally resulted in lower emissions of greenhouse gasses.  The spread of the virus drives measures to use masks, gloves hand sanitizer and other protection materials. In particular the home use of these items resulted in a massive amount of (semi-) medical waste in the environment, while at the same time specific measures to deal with this problem were absent. These data call to include an interdisciplinary, human ecological approach in the Covid-19 and related prevention strategies.

16:20: [covid19WedPM210] OS
S-curves and entropic conditions of system stabilization
Grigory Korablev¹ ; ¹Izhevsk state agricultural academy, Izhevsh, Russian Federation;
Paper Id: 225 [Abstract]

The graphs of S-curves characterize the dynamics of change of entropic components depending on the process main parameters. The condition of the system stationary state is the equality or constant of the correlation between its entropy and negentropy. Such regularities are found in many phenomena and conformational interactions in physical chemistry, nature, engineering and even economy. The examples of their functional contribution are given. The possibility of objective analysis of the coronavirus regional scenario is demonstrated based on the Russian data.

16:45: [covid19WedPM211] OS Keynote
In Vitro Diagnostics and Smart Technologies for COVID-19 Pandemic Response: Trends, Insights and Future Directions
Sandeep Kumar Vashist¹ ; ¹Pictor Pvt. Ltd., Aachen, Germany;
Paper Id: 238 [Abstract]

There have been tremendous advances in in vitro diagnostic (IVD)(1) assays and smart technologies for the diagnosis, monitoring and management of coronavirus disease 2019 (COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The main IVD formats used for pandemic response of COVID-19 are real-time reverse transcriptase polymerase chain reaction (RT-PCR) and rapid viral antigen detection tests. Most rapid RT-PCR tests, such as those from Cepheid and Bosch, take about 40 min, while most rapid lateral flow immunoassay (LFIA) tests for viral antigen detection take less than 20 min. An exciting development has been the point-of-care (POC) molecular test (ID NOWTM)(2) and rapid antigen test (BinaxNOWTM COVID-19 Ag card)(3) by Abbott, which take just 5 min and 15 min, respectively. A large number of molecular & rapid antigen tests have been approved by the United States Food and Drug Administration (FDA) under emergency use authorization (EUA)(4) and are already Conformité Européenne (CE) certified. Similarly, many serology immunoassays (IAs) have also been developed for the detection of anti-SARS-CoV-2 antibodies (i.e., immunoglobulin G (IgG), immunoglobulin M (IgM), and immunoglobulin A (IgA)) produced in humans in response to SARS-CoV-2 infection. The most prominent serology IAs are automated chemiluminescent IA (CLIA), ELISA, and rapid LFIA. However, there is still an imminent need for novel POC fully-integrated IVD test that can detect multiple biomarkers involved in the early manifestation of COVID-19 using a smart readout device. Of interest will be an IVD technology enabling molecular, antigen, and antibody detection in a single platform. Various smart applications have been developed worldwide for contact tracing, which have been very useful to control the spread of COVID-19. Artificial intelligence and machine-learning have further facilitated the rapid and efficient diagnosis of COVID-19 infections. Telemedicine and digital healthcare have played a phenomenal role during the current pandemic, which has unleashed their high utility for future pandemics. The future directions in IVD, mobile healthcare and smart technologies, paving way to better health outcomes and effective pandemic response, will be presented.

References:
1. Vashist SK. In Vitro Diagnostic Assays for COVID-19: Recent Advances and Emerging Trends. Diagnostics (Basel). 2020;10(4):202.
2. ID NOW™ Covid-19. https://www.alere.com/en/home/product-details/id-now-covid-19.html. 2020.
3. Perchetti GA, Huang M-L, Mills MG, Jerome KR, Greninger AL. Analytical Sensitivity of the Abbott BinaxNOW COVID-19 Ag CARD. Journal of Clinical Microbiology. 2021;59(3).
4. In Vitro Diagnostics EUAs, 2021 [Available from: https://www.fda.gov/medical-devices/coronavirus-disease-2019-covid-19-emergency-use-authorizations-medical-devices/in-vitro-diagnostics-euas#umbrella-serological.

17:10: [covid19WedPM212] OS
Corona Virus Disease-2019 Symptoms and Protective Strategies
Dogan Ozdemir¹ ; ¹assist prof, Sulaimani, Iraq;
Paper Id: 353 [Abstract]

COVID-19 (Coronavirus Disease-2019) is a worldwide pandemic that causes health and social crisis all around the world. Firstly, COVID 19 was determined in Wuhan City, Hubei Province in South China. The virus spread to all continent and affecting many countries. On 30 January 2020, the World Health Organization (WHO) declared the outbreak of COVID-19 to be a public health emergency of international concern (1). In this review, the current symptoms, clinical characteristics, treatments and prevention of COVID-19 were summarized. Coronaviruses are enveloped single-stranded RNA viruses that are zoonotic in nature and cause symptoms ranging from those similar to the common cold to more severe respiratory, enteric, hepatic, and neurological symptoms (2-4). In this review, we observed and got data from different Research Paper. It is important to caution the readers that new data updating nearly every hour regarding clinical characteristics, diagnosis, treatment strategies, and outcomes COVID-19. Throughout the world the disease has caused varying degrees of illness. The symptoms of COVID-19 patients usually have fever, cough, sore throat, breathlessness, fatigue, and malaise among others. The treatment of disease is general treatment by using antiviral drugs, vitamins, oxygen therapy. However, it is vital to determine suspected people as soon as possible and isolate them to prevent the potential transmission of infection to other patients and health care staff.

References:
REFERENCES
1. World Health Organization, Novel Coronavirus (2019-nCoV): Situation Report - 12. 2020.
2. Zhu N, Zhang D, Wang W, Li X, Yang B, Song J, et al. A novel coronavirus from patients with pneumonia in China, 2019. N Eng. J. Med. 2020. doi.10.1056/NEJMoa2001017.
3. WHO. Coronavirus. 2020. https: www.who.int.health-topics.coronavirus. Accessed Feb 2020.
4. Li Q, Guan X, Wu P, Wang X, Zhou L, Tong Y, et al. Early transmission dynamics in Wuhan, China, of novel coronavirus-infected pneumonia. N Eng. J Med. 2020. doi.10.1056NEJMoa2001316.

SESSION: IronMonAM-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Mon. 28 Nov. 2022 / Room: Arcadia 1
Session Chairs: Yakov Gordon; Session Monitor: TBA

11:30: [IronMonAM01] OS Plenary
Evolution of Ironmaking Raw Materials
Joseph Poveromo¹ ; ¹Raw Materials & Ironmaking Global Consulting, Bethlehem, United States;
Paper Id: 29 [Abstract]

Over the past several hundred years, ironmaking has evolved from blast furnace iron production using mainly natural lump and initially charcoal and then coke to the present day where the blast furnace (BF) is still the dominant ironmaking process but based on using a high percentage of agglomerates (sinter and/or pellets) and coke supplemented by injected reductants (pulverized coal, natural gas, fuel oil, coke oven gas, plastics). The emerging ironmaking process is shaft furnace direct reduction (DR) based on mainly pellet use with natural gas as the reductant. The technological developments for agglomerates, coke and injectants will be reviewed. In the quest for development of sustainable ironmaking, the development of alternative iron bearing materials (ore/coal composites, ore fines, etc) and alternative reductants and injectants (H2, biomass, etc) will be previewed.

11:55: [IronMonAM02] OS Invited
DRI and the Pathway to Carbon-Neutral Steelmaking: Iron Ore Challenges
Chris Barrington¹ ; Joseph Poveromo² ; ¹Papillon Mineral Services Ltd., Camberley, United Kingdom; ²Raw Materials & Ironmaking Global Consulting, Bethlehem, United States;
Paper Id: 368 [Abstract]

The global steel industry effort to reduce CO2 emissions includes a significant shift to DRI/EAF steel production from BF/BOF steel production that will require a major increase in the supply DR grade pellets for conventional DRI production. DR grade pellet demand could increase from 150 to a range of 400 – 600 MTPY by 2050. While overall iron ore supply will be adequate, the amount of iron ore that can be upgraded to DR quality is limited; furthermore, an increase in pelletizing capacity will be necessary. Steps being taken are outlined including: projects to upgrade existing pellet feed supply, new pellet feed projects, development of cold bonding agglomeration methods and inserting a melting step after DRI shaft furnace production to enable continued use of BF grade iron ore. The latter is particularly important for the Asia Pacific region where both the iron ore resource base and existing ironmaking plants are heavily invested in BF grade materials and facilities.

12:20: [IronMonAM03] OS Plenary
FLOGEN CONTOP – AN INTEGRATED DESIGN, DECISION-MAKING, CONTROL, OPTIMIZATION AND AUTOMATION SYSTEM FOR IRON ORE MANAGEMENT AND BLAST FURNACES PROCESSES
Florian Kongoli¹ ; Marcos De Souza² ; ¹FLOGEN Technologies, Mont-Royal, Canada; ²FLOGEN Technologies Inc, Sao Paulo, Brazil;
Paper Id: 547 [Abstract]

FLOGEN Technologies Inc. has developed an integrated Design/Decision-Making/Control/Optimization/Automation System combines several needs on supply side, on production side, on metal sales side and on financial side. It supports cost prediction and cost follow up on the energy and consumables side and is integrated with databases that manages numerous types of essays. This has been at various blast furnaces of pig iron. The system instantaneously makes a complete optimization of all raw materials, including limestone, silica, air and oxygen volumes, in order to achieve specific targets according to the needs of the company. The main achievements of the implementation of the FLOGEN CONTOP system were the increase of the pig iron production by about 14% and the decrease of total consumption of charcoal (breeze and fines) by about 4%. Additionally, fines injected through the tuyeres were decreased, temperature and composition of slag and pig iron (including Si and P) were better controlled and silica addition as a flux was minimized. An overall instantaneous mass and energy balance helped fix various mechanical and procedural problems in the plant. CONTOP system was also successfully used to determine the annual procurement strategies by predicting various raw material cost-based scenarios related to productivity and fuel consumption in short- and long-term future. CONTOP increased productivity and reduced cost up to the highest designed limit of the technology. CONTOP also changed the way of operating from a reactive wait-the-lab-results-approach to a proactive forecast-and-act approach.

12:45: [IronMonAM04] OS
Control and Optimization of FeSiMn Alloy Production through FLOGEN CONTOP System
Thamara Rodrigues Silva¹ ; Igor Tiago Santos¹ ; Josenilson Braga Maia¹ ; Rodrigo Junqueira Dos Santos Santos¹ ; Marcos De Souza² ; Redouane Merdjani³ ; Florian Kongoli⁴ ; ¹Maringa, Sao Paulo, Brazil; ²FLOGEN Technologies Inc, Sao Paulo, Brazil; ³FLOGEN TECHNOLOGIES INC., Mont-Royal, Canada; ⁴FLOGEN Technologies, Mont-Royal, Canada;
Paper Id: 550 [Abstract]

The application of the FLOGEN Decision Making, Control and Optimization system in an electric furnace for the production of FeSiMn alloy, made possible to simultaneously optimize electrical resistance of the furnace, reduce specific energy consumption, reduce MnO losses in the slag from and average of 14% to 5-8%, to better control of alloy specifications with much greater flexibility in using multiple and low quality raw materials. This paper will present the general features and control system as well as the main results

SESSION: IronMonPM1-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Mon. 28 Nov. 2022 / Room: Arcadia 1
Session Chairs: Andrey Dmitriev; Session Monitor: TBA

14:00: [IronMonPM105] OS Plenary
Rising and Failure of Gas Based Direct Reduction Processes
Yakov Gordon¹ ; ¹Hatch, Mississauga, Canada;
Paper Id: 503 [Abstract]

The first industrial application of DRI production was Wiberg-Soderfors DRI shaft furnace process. The history of development and implementation of various gas based direct reduction processes was studied. The strength and week features of this processes were evaluated. It was shown that economics of the direct reduction process depends on cost of raw material and reducing agent, reliability of equipment and strict application of direct reduction principles. Results of evaluation allowed to show, why Midrex and HYL are the only successful DRI gas-based processes, while other lost their competitive position and stop operation

14:25: [IronMonPM106] OS
MODERNIZATION OF DRI SHAFT FURNACES TO ENHANCE PROCESS PERFORMANCE AND IMPROVE PRODUCT QUALITY
Yakov Gordon¹ ; ¹Hatch, Mississauga, Canada;
Paper Id: 502 [Abstract]

Gas dynamics and gas distribution in shaft furnace play crucial role in improvement of furnace productivity, product quality and reduction in natural gas rate. Optimum design parameters of gas distribution devises were investigated by means of mathematical modelling, pilot plant and industrial installation studies. New heat transfer co-current schematics of gas and material movement with self-reforming of natural gas in metallization zone, was invented, patented and tested at pilot plant. New Shaft furnace design and improvements where proposed and new gas distribution devises were implemented, providing savings in fuel rate, increase in productivity and improvements in quality of DRI.

14:50: [IronMonPM107] OS
CALCULATION OF THE COHESION ZONE IN A BLAST FURNACE TAKING INTO ACCOUNT THE METALLURGICAL CHARACTERISTICS OF IRON ORE MATERIALS
Andrey Dmitriev¹ ; Galina Vitkina² ; Roman Alektorov³ ; Elena Vyaznikova³ ; ¹Russian Academy of Sciences - Ural, Ekaterinburg, Russian Federation; ²Institute of Metallurgy of Ural Branch of Russian, Amundsen st., Russia; ³Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation;
Paper Id: 2 [Abstract]

As has shown long-term experiment of Institute of metallurgy of the Ural Branch of the Russian Academy of Sciences, at the solution of practical problems of ferrous metallurgy the increasing role is played by the information systems which basis are mathematical models of the physical, chemical and thermal processes proceeding in metallurgical units [1]. It is known that the cohezive zone in the blast furnace will be formed as a result of a softening of an iron ore component of burden, coke is in solid state. This zone makes limiting impact on productivity of the blast furnace [2]. Location and a form of a cohezive zone substantially is determined by character of unevenness of the temperature field depending on system of loading, the location of the tuyere center, a profile of shaft and change of gas dynamic resistance by height of the blast furnace; in temperatures of a softening and melting of the iron ore material, depending on extent of reduction [3]. Results of calculations of location and form of a zone of a cohezive in the blast furnace for iron ore materials with different metallurgical characteristics are given.

References:
[1] A.N. Dmitriev. Mathematical Modeling of the Blast Furnace Process. Cambridge, UK. Cambridge Scholars Publishing Ltd., 2019.
[2] A.N. Dmitriev, G.Yu. Vitkina, Yu.A. Chesnokov, R.V. Petukhov, IFAC Proceedings Volumes (2013) 302-306.
[3] A.N. Dmitriev, R.V. Petukhov, G.Yu. Vitkina, S.A. Petrova, Yu.A. Chesnokov, Defect and Diffusion Forum, 391 (2019) 221-225.

15:15: [IronMonPM108] OS
Banking And Revival of E &amp; C Blast Furnace Of Tata Steel Ltd With Application Of Oxy Lance In 2020.
Biswajit Seal¹ ; Dushyant Kumar² ; G.s.r. Murthy .³ ; Mayank Tiwari⁴ ; Shivendra Kumar Dubey⁵ ; Dinesh Chandra Viswakarma⁵ ; Subal Kumar Saha⁵ ; ¹Tata Steel Ltd, India, Jamshedpur, India; ²Tata Steel Ltd, Jamshedpur, India; ³Tata Steel Ltd., Jamshedpur, India; ⁴TATA STEEL LTD, Jamshedpur, India; ⁵TATA STEEL LTD, JAMSHEDPUR, India;
Paper Id: 92 [Abstract]

<p>KEYWORDS: Banking, Burden, Oxy lance, Start Up, Ramp Up. ABSTRACT Blast Furnace operation is a continuous process and goes on till the end of its campaign except for some short shut down for maintenance or repair work. Banking of a blast furnace is like the operation of banking a fire and it is covered with fuel to restrict air preserving it for future use during furnace start up [1]. Banking of a blast furnace is generally done to take care for any unwanted situation. Nowadays most of the blast furnace operators prefer to blow down the furnace instead of banking because starting up of a banking furnace is associated with more risk and always unpredictable than a blowdown of a blast furnace [2]. Blowdown of a blast furnace needs a lot of preparatory activities which normally take time, but E & C Blast furnace of Tata Steel had to be banked on urgent basis initially for 1 month in March’20 due to unavoidable circumstances of COVID’19. Later banking period was extended to 3 months due to increasing trend of COVID’19 pandemic. Startup of a banking furnace, always unpredictable in nature, requires lot of preparation and the task becomes more challenging when banking period is extended [3]. Since a banking blast furnace revival is a hazardous activity, generally expertise with sound technical knowhow on banking blast furnace revival is required. For reviving a banked blast furnace, usually technology like Oxy Fuel lance or Durfee Method is applied [4]. E & C both blast furnaces were banked with calculated amount of burden for 1 month and revived successfully with help of in house designed Oxy Lance even it was extended to 3 months. For reviving a banking blast furnace, hot blast temperature also plays a very important role. Hot blast is generated through heating cold air by a cyclic process namely” On Gas & On Blast” in a blast furnace stove. A certain degree of hot blast temperature is required to burn the fuel inside the furnace which was charged during banking. E & C Blast furnace achieved desired degree of hot blast temperature by in-house designed tri-axial lance for initial and faster heating of stove with combination of Coke Oven Gas, Blast Furnace Gas and Compressed Air. This paper will describe in detail revival process of E & C blast furnace of Tata Steel.</p>

References:
<p>REFERENCES: [1] Satyendra, Ispat Guru, Methods of Shutting Down a Blast Furnace. [2] M.A.Alter, D.J.White, C.C.Mcgovern, Blast Furnace Banking and Blowdown: A Theoretical and Practical Approach to Preparing for an Extended Outage and Start-Up, Aistech 2015 Proceedings@2015 by AIST [3] V.P.Russikikh, M.A.Alengos,V.I.Levchenko, Removing a Blast Furnace from Service, Metallurgist, Vol.53, Nos 1-2,2009. [4] Walter W.Durfee and John P.Foley, Application January 15,1947, Serial No-722,1947.</p>

SESSION: IronMonPM2-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Mon. 28 Nov. 2022 / Room: Arcadia 1
Session Chairs: Dario Pauluzzi; Session Monitor: TBA

15:55: [IronMonPM209] OS Plenary
Sustainable Direct Reduced Iron with ENERGIRON Technology
Dario Pauluzzi¹ ; Ashton Hertrich Giraldo¹ ; Alessandro Martinis² ; ¹Danieli, Buttrio, Italy; ²Danieli & Officine Meccaniche, Premariacco, Italy;
Paper Id: 83 [Abstract]

<p>The last decade has been characterized by a global set of policies and regulations to prevent and reduce Greenhouses gas emissions. The iron and steel industry is the largest energy-consuming and emitter of CO₂ in the manufacturing sector. However, several studies have demonstrated that by only shifting technology from the BF/BOF to the DRP/EAF can reduce carbon emissions by up to 50%. Moreover, the ENERGIRON Zero Reformer is characterized not only by 45% less CO₂ emissions vs. competing technologies, but also can further increase CO₂ capture up to 90% and commercialize it as a valuable by-product. In this context of worldwide concern climate change, the ENERGIRON technology has become the best solution for steelmakers that want to comply with the most stringent environmental regulations worldwide. Indeed, thanks to his flexibility to use different energy vectors, even 100% Hydrogen and capacity to further sequestrated the CO₂, the ENERGIRON ZR technology is the pioneer for the future iron reduction production. Keywords: DRI, CO₂ emissions, Climate change, Ironmaking, Hydrogen, ENERGIRON, Danieli</p>

16:20: [IronMonPM210] OS
Implementation of BF Technology with co-injection of natural gas and PCI at NLMK, Russia
Sergei Filatov¹ ; Yakov Gordon² ; Sergei Zagainov³ ; Sergei Myasoedov⁴ ; Andrei Sorokin⁵ ; Vladislav Listopadov⁵ ; Sergei Grachev⁵ ; ¹Nowo-Lipets Iron & STeel Works, Lipets, Russian Federation; ²Hatch, Mississauga, Canada; ³Ural Federal University, Ekaterinburg, Russian Federation; ⁴NLMK, Russia, Lipetsk, Russian Federation; ⁵NLMK, Lipetsk, Russian Federation;
Paper Id: 49 [Abstract]

<p>Based on the result of theoretical analysis, it has been shown that injection of pulverized coal supports process conditions either to provide higher smelting rate or achieve minimum coke specific consumption. In case of coke and natural gas replacement, two conflicting factors can be observed: gas amount per minute is reduced thus having a favorable effect on gas dynamics both at upper and lower zones of the furnace; porosity is decreased in slag formation zone. It determines extreme correlation between PCI (pulverized coal injection) consumption and blast furnace performance. It has been established that increasing ratio of PCI to natural gas (NG) consumption is followed by lower coke and total carbon in fuel specific consumption at slowdown. High smelting rate can be achieved with this ratio within the range of 2.0-2.5. Mathematical modelling also revealed that the replacement coefficient of coke by NG increases in average by 0.09 kg of coke per Nm3 of NG with PCI rate with increase accompanied by simultaneous reduction in NG rate. The overall consumption carbon consumption was reduced despite the difference in carbon amount entering the furnace with PCI and NG.</p>

References:
<p>1. Bermes, P.; Olszar R.; Hlisnikowski, K.; Faruzel P.: Operational Benefit and Cost Saving through PCI Application at the Blast Furnaces of Třinecké železárny; METEC & 2nd ESTAD, 2015, Düsseldorf.\n2. Schott, R.: Optimization strategies for pulverized coal injection into the blast furnace. stahl und eisen 136, 2016, Nr.3, p. 39-47.\n3. Filatov S., Zagainov S, Gileva L. a.o. Evaluation of effectiveness of hot metal production in blast furnace. Izvestia Vuzov, Ferrous Metallurgy, 2017. V. 60. № 8. p.p. 637-642.\n4. Filatov S, Vlasov V a.o. First results of PCI injection in blast furnace. Metallurg, 2014. № 9. p.p. 60-63\n5. Filatov S, Myasoedov S, Titov V. a.o. Improvement of blast furnace operation with PCI at blast furnace shop No.1 at NLMK. Izvestia Vuzov, Ferrous Metallurgy. 2018. № 7 (1423). p.p. 33-39</p>

16:45: [IronMonPM211] OS
INFLUENCE OF IRREGULARITY OF HOT METAL AND SLAG TAPPING ON BLAST FURNACE PERFORMANCE AT NTMK-EVRAZ
Yakov Gordon¹ ; Sergei Zagainov² ; Vladimir Panteleev³ ;⁰ ; Mikhail Polovets² ; ¹Hatch, Mississauga, Canada; ²Ural Federal University, Ekaterinburg, Russian Federation; ³Ural Fwderal University, Ekaterinburg, Russian Federation;
Paper Id: 44 [Abstract]

<p>Timely and complete taping of hot metal and slag is the main precondition of blast furnace intensive operation. Irregular taping leads to fluctuation of the level of liquid products in the furnace hearth, change in rate of material charging to the furnace and variations in a burden residence time in the furnace. Also it effects the thermal state of the furnace and chemical composition of the hot metal and slag. Ratio of tapped hot metal and slag is determined by physical properties of slag, diameter and length of hot metal taphole. Analysis of NTMK-Evraz blast furnaces operation showed significant fluctuations of this ratio. At average slag volume between 340-360 kg/thm the actual range of slag volume changes from 200 to 850 kg/thm. The fundamentals of mechanics of fluid and gases were applied to study the problem and laminate flow of hot metal and slag was assumed for the taphole. The ratio of the metal and slag mass in the taphole and hot metal and slag velocities were described as a function of slag parameters and taphole geometry. This approach allowed to derive numerical relationship between volumes of tapped hot metal and slag, slag viscosity and taphole design. Results of mathematical modeling were confirmed by actual performance parameters of NTMK-Evraz blast furnaces. It was found, that increase in slag to hot metal ratio led to the reduction in blast furnace productivity and reduction in vanadium partition to hot metal.</p>

References:
<p>[1] Shao L., Saxén H. A simulation study of blast furnace hearth drainage using a two-phase flow model of the taphole // ISIJ International. 2011. Vol. 51, No. 2, p.p. 228–235.\n[2]. Muller J., Zietsman J.H., Pistorius P.C. Modeling of Manganese Ferroalloy Slag Properties and Flow During Tapping // Metallurgical and Materials Transactions B: Process Metallurgy and Mater. Proc. Sci. 2015. Vol. 46, No. 6, p.p. 2639–2651.\n[3] Abramowitz H., Goffney L.J., Ziegert W.L. Taphole mix properties and performance for the first year of operation on Inland’s No. 7 blast furnace / Proceedings of the 42nd Ironmaking Conference, Atlanta, GA. 1983, 17–20 April // Iron and Steel Society of AIME, Warrendale, PA, p.p. 681–694.\n[4]. Ruther H.-P., Lungen H.-B. Refractory technology and operational experience with tapholes and troughs of blast furnaces in the Federal Republic of Germany // Metallurgical plant and technology. 1989, No. 3, p.p. 12–29.\n[5] Shvidkiy V., Gordon Y., Yaroshenko Yu. a.o. Mechanics of liquids and gases, Textbook, 2-d addition, Мoscow, Academkniga, 2003, 464 p.</p>

17:10: [IronMonPM212] OS
MASS TRANSFER RATE BETWEEN DIFFERENT PHASES RELATED TO SUSPENSION PATTERN OF LIGHT OR HEAVY DENSITY OF SOLID/LIQUID IN A MECHANICALLY STIRRED VESSEL
Yoshiei Kato¹ ; ¹Okayama University, Okayama, Japan;
Paper Id: 69 [Abstract]

<p>The mass transfer rate between different phases such as solid/liquid and liquid/liquid is important to control the slag/metal reaction in the pyrometallurgy field. The solid/liquid mass transfer rate was changed by the suspension patterns of sedimentary particles [1] and floated ones [2, 3] in an impeller stirring. When the stagnant particles partially suspend into liquid, the mass transfer rate began to enhance rapidly, and it was promoted by the collision of lighter density of particles with the impeller and the irregular dispersion into the liquid phase. The liquid/liquid mass transfer rate was also affected by the collision of lighter density of liquid with the impeller [4, 5]. The liquid/liquid flow characteristics of impeller stirring were investigated by a two-dimensional PIV experiment and a computational fluid dynamics (CFD) technique [6] and the space-averaged velocity were found to irregularly enhance when the lighter liquid began to collide with the impeller. The particle penetration depth enhanced the solid/liquid mass transfer rate in the particle blowing technique [7]. In this study, based on the above results of cold model experiments and CFD, the relationship between the mass transfer rates between different phases and suspension pattern was adjusted as a whole.</p>

References:
<p>[1] Y. Tokura, M. A. Uddin, Y. Kato, Ind. Eng. Chem. Res. 58(2019) 10172-10178. [2] R. Shiba, M. A. Uddin, Y. Kato, S. Kitamura, ISIJ Int., 54(2014), 2754-2760. [3] R. Shiba, M. A. Uddin, Y. Kato, Tetsu-to-Hagane, 102(2016), 196-201. [4] S. Horiuchi, M. A. Uddin, Y. Kato, Y. Takahashi, Y. Uchida, ISIJ Int., 54(2014), 87-93. [5] S. Horiuchi, M. A. Uddin, Y. Kato, N. Kikuchi, ISIJ Int., 54(2014), 82-96. [6] T. Okuno, M. M. A. Uddin, Y. Kato, S. B. Lee, Y. H. Kim, ISIJ Int., 57(2017), 1902-1910. [7] R. Tanaka, M. A. Uddin, Y. Kato, ISIJ Int., 58(2018), 620-626.</p>

SESSION: IronMonPM3-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Mon. 28 Nov. 2022 / Room: Arcadia 1
Session Chairs: Xueliang Yuan; Session Monitor: TBA

17:50: [IronMonPM313] OL Plenary
SSAB’S ACCELERATED TRANSFORMATION TO FOSSIL FREE STEEL WITH THE HYBRIT TECHNOLOGY
Martin Pei¹ ; ¹, Stockholm, Sweden;
Paper Id: 491 [Abstract]

Steel is the most important material for modern society, indispensable for production of food, drinking water, electricity, housing and infrastructure like railway, bridges, tunnels, airports etc. Steel is also the most recycled material. However, growth in world steel demand can’t be satisfied only by recycling. Virgin iron ore based steel is needed for the foreseeable future. Current production technologies of steel from iron ore relies heavily on fossil energy sources like coal and natural gas, and the steel industry accounts for approximately 7% of global CO2-emissions. SSAB initiated together with mining company LKAB and energy company Vattenfall in 2016 the HYBRIT initiative, aiming at developing a fossil free value chain from mine to steel, thus solving the root cause of CO2-emission. Extensive R&D efforts have been spend and in beginning of 2022 SSAB decided to accelerate and complete the transformation to fossil free steelmaking around 2030, 15 years ahead of the earlier target of 2045.

18:15: [IronMonPM314] OS
Integrated assessment of sintering flue gas ultra-low emission treatment technologies of the iron and steel industry
Xueliang Yuan¹ ; Mengyue Liu¹ ; Yue Li¹ ; Lin Cui¹ ; ¹Shandong University, Jinan, China;
Paper Id: 370 [Abstract]

The demand for iron and steel has been increasing in the context of progressive industrialization and urbanization. China’s steel output has topped the world since 1996, accounting for 56.5% of the world’s total steel output in 2020. The largest contributor to pollutant emissions is the sintering process in steel industry. Ultra-low emission policy for the Chinese steel industry states that emission concentrations of particulate matter, SO2 and NOx should not exceed 10, 35 and 50 mg/m3 respectively. Increasingly stringent pollutant emission standards pose a new challenge to the control of air pollutants in China’s iron and steel industry. Life cycle assessment and life cycle cost method is applied to quantified and compared the environmental and economic effects of three typical sintering flue gas ultra-low emission treatment technologies of the iron and steel industry in China. The key processes, key inputs that cause environmental impacts and economic cost are identified. The optimization scheme is proposed accordingly for the three technologies. The findings could provide a reference for the selection of future ultra-low emission technologies for the iron and steel industry and provide theoretical support and guidance for the government's decision-making and deployment of ultra-low emission retrofit in the iron and steel industry.

SESSION: MetalsTueAM-R3	Dmitriev International Symposium (6th Intl. Symp. on Sustainable Metals & Alloys Processing)
Tue. 29 Nov. 2022 / Room: Arcadia 1
Session Chairs: Madali Naimanbayev; Session Monitor: TBA

11:30: [MetalsTueAM01] OS Plenary
PHYSICOCHEMICAL BASES OF PYROMETALLURGICAL PROCESSING OF TITANOMAGNETITE ORES CONTAINING VARIOUS AMOUNTS OF TITANIUM DIOXIDE
Andrey Dmitriev¹ ; Galina Vitkina² ; Roman Alektorov³ ; Elena Vyaznikova³ ; ¹Russian Academy of Sciences - Ural, Ekaterinburg, Russian Federation; ²Institute of Metallurgy of Ural Branch of Russian, Amundsen st., Russia; ³Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation;
Paper Id: 187 [Abstract]

The results of laboratory, industrial and calculation researches of physical, chemical and thermophysical processes at the oxidizing roasting (sintering and pelletizing) of the titaniferous raw materials are considered. The estimation of influence of metallurgical properties (reducibility, durability, softening and melting temperatures of roasting ores) on processes heat and mass exchange at the reduction in the blast furnace is executed [1]. Titan-bearing ores with the various TiO2 content are investigated. Tests of ores are provided by ores of the current production in the Gusevogorsky deposit (Russian Federation, average test), and also ores from separate production of ores - is low titanium and is high titanium. Ores of the Kuranakhsky deposit (Russian Federation), the Tebinbulaksky deposit (Republic of Uzbekistan) and high titanium ores of the Medvedevsky deposit and the Yaregsky deposit (both Russian Federation) allowing receive pigmentary titanium dioxide are also considered. Processing of the specified ores assumes so-called schemes «blast furnace - converter» and «metallization - electrosmelting», including oxidizing roasting of ore concentrate with receiving agglomerate and pellets [2, 3]. The micro X-ray diffraction phase analysis and magnetic characteristics of samples is made. The results of industrial tests on change of metallurgical properties of agglomerate and its influence on blast furnace indices are given. Technical and economic indices of blast furnace smelting of agglomerate and pellets (coke consumption and productivity, chemical composition of cast iron and slag), received from a concentrate of the Kachkanarsky deposit, are calculated [4]. As a whole possibility and reasonability of processing of titaniferous ores with the different content of titanium dioxide and receiving vanadium containing cast iron and the slag containing titanium dioxide is shown. Possibility of processing the pigmentary titanium dioxide from titaniferous minerals is introduced [5].

References:
[1] A.N. Dmitriev, G.Yu. Vitkina, Yu.A. Chesnokov, Advanced Materials Research. 602-604 (2013) 365-375.
[2] A.N. Dmitriev, G.Yu. Vitkina, R.V. Petukhov, et al, Advanced Materials Research. 834-836. (2014) 364-369.
[3] A.N. Dmitriev, O.Yu. Sheshukov, G.I. Gazaleeva, et al, Applied Mechanics and Materials. 670-671 (2014) 283-289.
[4] A.N. Dmitriev, G.Yu. Vitkina, R.V.Petukhov, Pure and Applied Chemistry, 89, 10 (2017) 1543-1551.
[5] A.N. Dmitriev and L.I. Leontiev, Journal of Materials Science and Engineering B, 7, 11-12 (2017) 268-271.

11:55: [MetalsTueAM02] OS Keynote
Possibility of Separation of Chrome from Titanium in Ilmenite Contntrate
Madali Naimanbayev¹ ; ¹Satbayev University, Institute of Metallurgy, Almaty, Kazakhstan;
Paper Id: 191 [Abstract]

The high content of chromium in the ilmenite concentrate makes it difficult to process further into titanium-containing slag, titanium tetrachloride and titanium sponge. The most wide-spread industrial application is obtained by methods based on preliminary carbon-thermal reduction of ilmenite concentrates at 900-1200 °C with the subsequent separation of reduced iron and chromium from them by electromagnetic separation, and the nonmagnetic titanium chromium fraction is sent to hydrochemical treatment for purification from chromium and other impurities.<br />It has been established that solid-phase selective reduction of chromium-containing ilmenite concentrate should be carried out at a temperature of 1250 °C and an retention time of 2 hours. The addition of 8% in the charge of sodium chloride accelerates the process of reducing iron from ilmenite. In this case, recovery of reduced iron in the magnetic fraction is 76.1%, chromium 55.8%, titanium 15.3%. To separate titanium compounds from chromium, the titanium-chromium fraction is sintered with a calculated amount of soda at 850 °C for 2 hours and leached with hot water (S:L ratio = 1: 4) at a temperature of 95-100 °C and stirred for 120 minutes. The recovery into the chromium solution is 83.6%.

References:
ilmenite concentrate, high chromium content, reductive roasting, magnetic separation, soda, sodium chloride, leaching

12:20: [MetalsTueAM03] OS
KINEMATIC VISCOSITY, SURFACE TENSION, and DENSITY of PIPE STEEL in LIQUID STATE
Vladimir Tsepelev¹ ; Yuri Starodubtsev² ; Kai-ming Wu³ ; Nadezda Konovalova⁴ ; ¹Boris Yeltzin Ural Federal University, Ekaterinburg, Russian Federation; ²Gammamet Research & Production Enterprise, Ekaterinburg, Russian Federation; ³3International Research Institute for Steel Technology, Wuhan University of Science and Technology, Wuhan, China; ⁴Boris Yeltsin Ural Federal University, Ekaterinburg, Russian Federation;
Paper Id: 195 [Abstract]

Pipe steel must have high strength, toughness and ductile-brittle transition temperature. To achieve these indicators, the steel has a limited C content, not more than 0.24 wt. %, Mn, no more than 1.4 wt. %, and Si, no more than 0.6 wt. % and this content depends on the strength class of pipe steel. For grain refinement, pipe steel is alloyed with Al, Nb, Ti, V in an amount of not more than 0.15 wt. %. To increase the corrosion resistance, steel may contain a limited amount of Cr, Ni, Mo, Cu. The minimum level should be the content of harmful impurities P, S, N. As a rule, the content of alloying elements and impurities in pipe steel does not exceed 2 wt. %, so this steel can be called a multicomponent low alloyed steel. The structure of multicomponent melts has a significant effect on the physical properties of steel [1]. Multicomponent melts have a heterogeneous structure [2], which manifests itself in the features of the temperature dependences of the kinematic viscosity. When the melt is heated above the temperature Th, the heating and cooling curves diverge at T < Th. There is a temperature region near Th, within which the heating and cooling curves form a hysteresis loop [3]. The critical temperature Tk separates regions with different activation energies for viscous flow. The work investigated the temperature dependences of the kinematic viscosity, surface tension and density in liquid pipe steel. Evaluation of the thermophysical properties of liquid pipe steel was carried out in terms of the cluster size, which are structural components of the melt. The cluster size was calculated using the formula for the kinematic viscosity obtained in the transition state theory [4]. From Arrhenius plots, the activation energy and pre-exponential factor were determined. The relative free volume was found from the Batschinsky relationship [5]. It is shown that the activation energy Ea increases with an increase in the cluster size. This relationship allows one to explain the anomalous behavior of the temperature dependence of the kinematic viscosity. The local change in the viscosity is caused by the decomposition of clusters and the subsequent formation of new clusters of a different size and chemical composition. The viscosity at the cooling stage corresponds to the melt structure formed at the maximum heating temperature. The relationship between the surface tension and the chemical composition in the surface layer of the melt is shown. The melt heating temperature is recommended to obtain the optimal structure of the pipe steel.

References:
[1] B.A. Baum, G.A. Khasin, G.V. Tyagunov, Ye.A. Klimenkov, Yu.A. Bazin, L.V. Kovalenko, V.B. Mikhailov, G.A. Raspopov, Liquid Steel,Moscow, Metallurgia, 1984.
[2] M. Calvo-Dahlborg, P.S. Popel, M.J. Kramer, M. Besser, J.R. Morris, U. Dahlborg, J. Alloys Comp. 550 (2013) 9–22.
[3] V.S. Tsepelev, Yu.N. Starodubtsev, Nanomaterials 11 (2021) 00108.
[4] V.S. Tsepelev, Yu.N. Starodubtsev, K.M. Wu, Ye.A. Kochetkova, Key Eng. Mater. 861 (2020) 107–112.
[5] V.Tsepelev, Yu. Starodubtsev, V. Konashkov, K. Wu, R. Wang, J. Alloys Comp. 790 (2019) 547–550.

12:45: [MetalsTueAM04] OL
Analysis Of Aluminum And Silica Inclusion In Low And High Carbon Steels
Igor Pereira¹ ; Paulo Assis² ; Gilberto Fernandes Lima³ ; Tiago Oliveira⁴ ; ¹Universidade Federal de Ouro Preto, Ouro Preto, Brazil; ²University of Ouro Preto / REDEMAT, Ouro Preto, Brazil; ³UEMG-Universidade do Estado de Minas Gerais, João Monlevade, Brazil; ⁴Redemat UFOP, Itabirito, Brazil;
Paper Id: 176 [Abstract]

Aiming at the development of increasingly special steels, the industry searches for a constant evolution in the control of its production processes. The demand for these steels has been growing constantly, as well as their requirements. The cleanliness is one of the most important requirements for high-performance steels. Therefore, non-metallic inclusions are one of the most studied associated problems in the steel industry. Non-metallic inclusions can cause exfoliation and cracking, impairing the mechanical properties of the steels and may even interrupt their manufacturing processes. Nonetheless, it is extremely important to carry out a metallic characterization of these inclusions, aiming at reducing or eliminating their deleterious effects. The inclusions of alumina and silica in samples of industrial steels with low (AISI 1020) and high (AISI 1070) carbon content were identified by Scanning Electron Microscope. Low and medium carbon steels showed inclusions that can drastically affect their mechanical properties. This paper presents its characterization, including the minimum in quantity, size, shape and dispersion of steel matrices used in the ASTM 45. It concluded that the market for these steels can be improved due to the characterization of these inclusions and the ways of their reduction.

SESSION: IronTuePM1-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Tue. 29 Nov. 2022 / Room: Arcadia 1
Session Chairs: Tateo Usui; Session Monitor: TBA

14:00: [IronTuePM105] OS
Effect of Ash Component in Platy Coke on Melting Behavior of Iron
Taichi Murakami¹ ; Daisuke Maruoka² ; Eiki Kasai¹ ; ¹Graduate School of Environmental Studies, Tohoku University, Sendai, Japan; ²Tohoku University, Sendai, Japan;
Paper Id: 22 [Abstract]

Saving carbon dioxide emission is essential to produce environmentally friendly steel especially, decreasing its amount from blast furnace process is important. Not only faster reduction of iron ore but also the acceleration of carburizing and melting of reduced iron is the method to achieve it. Understanding ash behavior in coke is important to control carburization. In this study, concentration behavior in ash compounds on the surface of coke by gasification under blast furnace condition and melting behavior of iron tablet by the direct contact with coke were examined. Furthermore, in-situ observations of melting behavior of coke-iron composite and effect of de-ash treatment was carried out. Ash concentrates on the surface of coke by gasification, and the coverage ratio of ash on the coke surface increases with increasing coke reactivity. Melting of iron by carburization from coke proceeds at lower temperature when coke reactivity is high. However, the effect of ash coverage ratio on this behavior is much higher than that of coke reactivity and an increase in ash coverage ratio leads to preventing carburization and melting of iron. SiO2 in ash reduces to Si by carbon, and it alloys with metallic iron. It can be concluded that Si prevent to melt iron.

14:25: [IronTuePM106] OS
Production and application of low silica self-fluxed pellets in Shougang Jingtang
Gele Qing¹ ; Minge Zhao² ; Gang An³ ; Kai Wang³ ; Zhixing Zhao¹ ; ¹Shougang Research Institute of Technology, Beijing, China; ²Shougang Group Co., Ltd, Beijing, China; ³Shougang Jingtang United Iron & Steel CO., Ltd, Tangshan, China;
Paper Id: 90 [Abstract]

<p>In order to reduce the fuel rate of blast furnace and promote green development, Shougang Jingtang Steel company has built two straight grate indurating machines with productivity of 8 million tons of pellets. In this paper, the production technologies of self-fluxed pellets with hydrated lime were studied successfully on the indurating machine. Hydrated lime has a good binder property, decrease the amount of bentonite and obtain low silica pellet. The basicity of pellet is 1.15 and SiO2 content is 2.0%. The low silica self-fluxed pellets were used in the three large blast furnaces with 5500m3 in Shougang Jingtang, the proportion of pellets in burden was increased from 28% to 55%, slag rate of blast furance was decreased from 280kg/tHM to 215kg/tHM, the fuel rate was decreased from 500kg/tHM to 480kg/tHM.</p>

14:50: [IronTuePM107] OS
Relating Physical and Metallurgical Properties of Kumba Lump Ore to the behaviour in processes
Kobus Vreugdenburg¹ ; Jacques Muller¹ ; ¹Anglo American, Pretoria, South Africa;
Paper Id: 74 [Abstract]

<p>The standard physical and metallurgical tests are designed to differentiate between iron bearing materials. The standard tests prescribe the equipment and test conditions to compare test results across laboratories. Standard tests are widely accepted and used by suppliers and consumers of the materials for commercial purposes and process control. The conditions in blast furnaces and direct reduction processes are dynamic while the standard tests subject the iron bearing material to fixed conditions, making it difficult to relate the impact of standard properties on process performance. [1]<br />The ISO 3271 standard specifies a method for evaluating the resistance of iron ores to size degradation by impact and abrasion. ISO 3271 prescribes 200 revolutions in a tumble drum to obtain the tumble index (TI), the size degradation Kumba Lump ore from load port to discharge port was correlated with the number of revolutions needed in the ISO tumble drum to obtain similar degradation.<br />ISO 4696 and ISO 11257 standards are used to evaluate the degree of size degradation of iron ores due to low temperature reduction-disintegration in blast furnaces and direct reduction processes respectively. The use of isothermal reduction does not reflect the dynamic conditions in the processes and the reduction disintegration index (RDI) does not always reflect the actual size degradation [1][2]. The ISO tests are done on one size fraction, and the reduction disintegration size fractions experience are different. The effect of test temperature and size fraction on reduction disintegration were evaluated. <br />ISO 4695 and ISO 7215 standards are used to evaluate the relative reducibility of iron ores under blast furnace conditions. The standard tests are done on the 10 to 12.5 mm size fraction or on the 18 to 20mm size fraction, depending on which of the two ISO standards are used. The result is expressed as the reducibility index (RI). The rate at which oxygen can be removed from the ore is dependent on the available surface area - coarser particles will be reduced at a lower rate than finer particles. The actual size fraction of the lump ores used in the blast furnace is around 6.3 to 40mm, the mean reducibility of the lump ore considering the particle size distribution were investigated. <br />The relevance of physical and metallurgical properties of Kumba Lump Ore on the performance in practice were investigated.</p>

References:
<p>[1] C.E. Loo, N.J. Bristow, Properties of iron bearing materials under simulated blast furnace indirect reduction conditions Part 1 Review and experimental procedure, Ironmaking &amp; Steelmaking 25(3):222-232 (January 1998)\n[2] C.E. Loo, N.J. Bristow, Properties of iron bearing materials under simulated blast furnace indirect reduction conditions Part 2 Reduction Degradation, Ironmaking &amp; Steelmaking 25(4):287-295 (January 1998)</p>

15:15: [IronTuePM108] OS
Evaluating Kumba Lump Ore Performance in a Blast Furnace Burden
Jacques Muller¹ ; Kobus Vreugdenburg¹ ; ¹Anglo American, Pretoria, South Africa;
Paper Id: 73 [Abstract]

<p>The blast furnace operation and economics are significantly influenced by the performance of burden materials descending in the furnace shaft. Changes in burden permeability and reducibility relates to the degree of indirect reduction, and therefore reductant requirement and iron productivity. Chemical composition, and physical and metallurgical properties of burden materials are determined using standard (ISO) test procedures. Tests are performed on specific material size distributions, and mostly at constant temperatures and gas compositions representative of typical blast furnace zones. <br />Materials are directly compared on qualities derived from standard tests. However, the marginal impacts on economic and emissions performance when substituting burden materials are not easily determined from standard material qualities. Contributing to inaccuracies are the transient nature of temperature and gas composition in actual processes, differences in material size distribution, and effects of other material properties.<br />The softening, melting, and dripping behaviour of materials at transient conditions, typical for blast furnaces, are determined in high-temperature tests [1]. In this investigation, such tests are performed on iron ore sinters, pellets, and lump ores using the test procedure developed by Ritz et al. 1998 [2]. A material sample, normally -12.5+10 mm, is placed under load and electrically heated while varying gas mixtures are injected over time to resemble the changing conditions down the blast furnace shaft.<br />Sample temperature, pressure drop, compaction, and the outlet gas composition are continuously measured during tests. Results derived include the location of the expected softening and melting points in the blast furnace in terms of temperature and time (i.e. location and thickness of the cohesive zone), and the degree of reduction over time. These tests are believed to more accurately indicate the amount of indirect reduction to be expected in the blast furnace and therefore the impact on the reductant requirement when comparing burden materials.<br />In this work, the material qualities determined in standard (ISO) tests were related to the actual performance in the blast furnace derived from high-temperature tests by using reaction kinetics and thermodynamic modelling. The purpose of this being to more accurately estimate blast furnace performance from more readily available burden material qualities. <br />Aspects investigated include: (1) softening and melting behaviour in relation to the degree of reduction and chemical composition during processing, (2) the amount of indirect reduction achieved at the softening point (start of cohesive zone) relative to a reducibility index value for a material with size distribution of interest, and (3) the impact that percentages of different materials in the burden has on the overall blast furnace performance.</p>

References:
<p>[1] X. Liu, T. Honeyands, G. Evans, P. Zulli, D. O'Dea, Ironmaking &amp; Steelmaking April (2018) 1-15.\n[2] V.J. Ritz, H.A. Kortman, 2nd International Congress on the Science and Technology of Ironmaking and 57th Ironmaking Conference (1998).</p>

SESSION: IronTuePM2-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Tue. 29 Nov. 2022 / Room: Arcadia 1
Session Chairs: Taichi Murakami; Session Monitor: TBA

15:55: [IronTuePM209] OS Plenary
The State-of-the-art Gas Carburizing Method of Solid Steel for Minimizing Both Hydrocarbon Use and CO2 Emission by Selective Removal of H2 from the Furnace
Tateo Usui¹ ; Tomoyuki Mizukoshi² ; Yujiro Yokoyama³ ; Hideaki Hoshino³ ; Itsuo Ishigami⁴ ; Hirokazu Konishi⁵ ; ¹Osaka University, Ibaraki, Japan; ²Osaka Research Institute of Industrial Science and Technology, Izumi, Japan; ³Izumi Center, Osaka Research Institute of Industrial Science and Technology, Izumi, Japan; ⁴Osaka Prefecrure Federation of Small Business Associations, Osaka, Japan; ⁵Osaka University, Suita, Japan;
Paper Id: 109 [Abstract]

Gas carburizing of solid steel is carried out by using much amount of hydrocarbon in order to keep the furnace atmosphere as long as constant, because carbon from hydrocarbon is consumed for carburization of steel surface and hydrogen remains in the furnace. In the present study, selective removal methods of H₂ were surveyed and fundamental experiment was done by using Proton Conductor SrZr_1-xY_xO_3-a , which was prepared by spark plasma sintering method; hydrogen gas was separated from wet simulated coke oven gas atmosphere at high temperature successfully. At the same time, reported method to selectively remove H₂ was also applied to bench scale furnace for gas carburizing of solid steel by using gas filter module made of poli-imido fiber tube. The control of the furnace atmosphere was very important to keep it constant, which was also studied numerically as well as experimentally. Finally, selective removal of H₂ from the furnace was verified experimentally and the flow rate of so-called “carrier gas” (hydrocarbons) could be reduced more than 75 % under the condition of the same quality of steel surface by the carburization treatment. As a result, exhaust gas volume could also be reduced and the burnt exhaust gas, namely, CO₂ emission was minimized.

References:
1. Yujiro Yokoyama, Tomoyuki Mizukoshi, Itsuo Ishigami and Tateo Usui: Numerical Analysis and Control of Gas Carburizing under Changes in Gas Compositions, Materials Science Forum, 522-523(2006), pp.589 - 594.\n2. Hirokazu KONISHI, Hiroshi NISHIMURA, Tateo USUI and Iwao KATAYAMA: Preparation of Proton Conductor SrZr1-xYxO3-a for Pure Hydrogen Separation in High Temperature Range (in Japanese), Journal of High Temperature Society, 34(2008)3, pp.123 - 129.\n3. Tomoyuki Mizukoshi, Yujiro Yokoyama, Hideaki Hoshino, Itsuo Ishigami and Tateo Usui: New Gas Carburizing Method for Minimizing CO2 Emission by Saving Resources and Selective Removal of H2 in Furnace (in Japanese), Journal of High Temperature Society, 35(2009)1, pp.50 - 54.\n4. Tomoyuki Mizukoshi, Hideaki Hoshino, Yujiro Yokoyama, Itsuo Ishigami and Tateo Usui: Numerical Analysis on Carbon Concentration Profiles of Gas Carburized Low Alloy Steel under Fluctuating Atmosphere, NETSU SHORI (Journal of the Japan Society for Heat Treatment), 49(2009), Special Issue, pp.319 - 322.\n5. Yujiro Yokoyama, Tomoyuki Mizukoshi, Itsuo Ishigami and Tateo Usui: Relationship between Vacuum Carburizing Conditions and Surface Carbon Concentration of SNCM815, NETSU SHORI, 49(2009), Special Issue, pp. 323 - 326. \n \n6. Hirokazu KONISHI, Takuya MATSUMOTO, Tateo USUI and Tomoyuki MIZUKOSHI: Characteristic of Proton Conductor Prepared by Spark Plasma Sintering in the Simulated Coke Oven Gas, Tetsu-to-Hagané (in Japanese), 96 (2010)10, pp.629 - 635.\n7. Yujiro Yokoyama, Tomoyuki Mizukoshi, Itsuo Ishigami and Tateo Usui: Development and Verification of Vacuum Carburizing Model Considering Graphite Deposition on Low Alloy Steel (in Japanese), Report of Technology Research Institute of Osaka Prefecture, No.23 (2009), pp.65 - 71.\n8. Tomoyuki Mizukoshi, Yujiro Yokoyama, Hideaki Hoshino, Itsuo Ishigami, Hirokazu Konishi and Tateo Usui: Influence of Alloying Elements on Carburizing Reaction Rate Constant of Low Alloy Steel in CO-CO2-N2 Atmosphere, Proceedings of The International Symposium on Ironmaking for Sustainable Development 2010 (ISISD 2010), (January, 2010, Osaka, Japan), pp.165 - 168, ISIJ (The Iron and Steel Institute of Japan).\n9. Hideaki Hoshino, Tomoyuki Mizukoshi, Yujiro Yokoyama, Itsuo Ishigami and Tateo Usui: Carburizing Rates of Vacuum Carburization by Acetylene Gas at 1.33 kPa, Proceedings of The International Symposium on Ironmaking for Sustainable Development 2010 (ISISD 2010), (January, 2010, Osaka, Japan), pp.169 - 172, ISIJ.\n10. Yujiro Yokoyama, Hideaki Hoshino, Tomoyuki Mizukoshi and Tateo Usui: Relationship between Vacuum Carburizing Conditions and Surface Carbon Concentration of SCM415, Proceedings of The International Symposium on Ironmaking for Sustainable Development 2010 (ISISD 2010), (January, 2010, Osaka, Japan), pp.173 - 176, ISIJ.\n11. Yujiro Yokoyama, Tomoyuki Mizukoshi, Itsuo Ishigami and Tateo Usui: Numerical Analysis and Control of Gas Carburizing under Changes in Gas Compositions, Abstracts of International Symposium on High-Temperature Oxidation and Corrosion, (November, 2005, Nara, Japan), Poster P39, ISIJ.\n12. Tomoyuki Mizukoshi, Hideaki Hoshino, Yujiro Yokoyama, Itsuo Ishigami and Tateo Usui: Numerical Analysis on Carbon Concentration Profiles of Gas Carburized Low Alloy Steel under Fluctuating Atmosphere, 17th International Federation for Heat Treatment and Surface Engineering Congress 2008 (October, 2008, Kobe, Japan), Poster P10, p.226, Japan Society for Heat Treatment.\n13. Yujiro Yokoyama, Tomoyuki Mizukoshi, Itsuo Ishigami and Tateo Usui: Relationship between Vacuum Carburizing Conditions and Surface Carbon Concentration of SNCM815, 17th International Federation for Heat Treatment and Surface Engineering Congress 2008 (October, 2008, Kobe, Japan), Poster P12, p.228, The Japan Society for Heat Treatment. [The Poster Award for 17th IFHTSE Congress 2008 (October 29, 2008)]\n14. Tomoyuki Mizukoshi, Itsuo Ishigami, Yujiro Yokoyama and Tateo Usui: For Development of Eco-friendly Carburizing Treatment Method (Part 1) - Construction and Application of Kinetics Model for Vacuum Carburizing - (in Japanese), NETSU SHORI, 50 (2010)6, pp.589 - 600.\n15. Yujiro Yokoyama, Tomoyuki Mizukoshi, Itsuo Ishigami and Tateo Usui: For Development of Eco-friendly Carburizing Treatment Method (Part 2) - Effect of Surface Graphite Deposition on Carbon Profile of Vacuum Carburized Steel - (in Japanese), NETSU SHORI, 52(2012)5, pp.257 - 262.\n16. Tomoyuki Mizukoshi, Itsuo Ishigami, Yujiro Yokoyama and Tateo Usui: For Development of Eco-friendly Carburizing Treatment Method (Part 3) - Proposal for Controlling Gas Carburizing based on Surface Reaction Rate and Diffusion of Carbon - (in Japanese), NETSU SHORI, 53(2013)6, pp.302 - 309. \n17. Tomoyuki Mizukoshi, Itsuo Ishigami, Yujiro Yokoyama and Tateo Usui: For Development of Eco-friendly Carburizing Treatment Method (Part 4) - Saving Energy and Resources in Gas Carburizing Process by Selective Removal of H2 in Furnace - (in Japanese), NETSU SHORI, 54(2014)4, pp.205 - 211.

16:20: [IronTuePM210] OS
COURSE50 project for Innovative Ironmaking Technology Development Using Hydrogen
Yutaka Ujisawa¹ ; ¹Nippon Steel Corporation, Chiyoda-ku, Japan;
Paper Id: 30 [Abstract]

Since 2008, four Japanese blast furnace steelmakers and one engineering company have been working on an innovative ironmaking process project named COURSE50. The main research activities of the project consist of two parts. One is the development of hydrogen utilization technology for iron ore reduction using coke oven gas that contains a large amount of hydrogen. The other is the development of CO2 capture technology from blast furnace gas by unused wasted heat within steelworks. By using these major technologies, the project aims to cut CO2 emissions from steelworks by 30%. The project has successfully completed STEP1(2008-2012), the development of basic technologies and STEP2(2013-2017), the development of comprehensive technologies. As a result, the carbon consumption in the blast furnace was reduced by 10% by the developed reaction-controlling technology. We also developed high-performance chemical absorption and physical adsorption methods to reduce 20% of CO2 emitted from steel works.

16:45: [IronTuePM211] OS
Hydrogen in The Blast Furnace or DRI: a Curse or Blessing Towards Sustainable Ironmaking
Renard Chaigneau¹ ; Maarten Geerdes² ; ¹Baffinland, Amsterdam, Netherlands; ²Geerdes Advies, Castricum, Netherlands;
Paper Id: 118 [Abstract]

The blast furnace process is based on carbon reduction and a coke base is a necessity to sustain reduction through the cohesive zone, melting of the ferrous and separation into carburized hot metal and slag[1]. Partly replacing carbon with hydrogen as a sustainable source of energy and reductant has been proven [2] but when and where will the boundaries of the current process occur and can they be stretched. Though hydrogen advantages in the dry part of the shaft are clear, the cohesive zone becomes a first bottle neck, as will be shown through calculations. On the other hand, the water gas shift reaction proofs supportive. Approaching it from a different angle, Direct Reduction is seen as an existing process capable to switch over to complete hydrogen usage for sustainable ironmaking [3]. Aside from the process scale, this approach requires a different view on burden composition and quality and the efficient use of DRI in the subsequent steelmaking process needs further development. Current bottle necks and approaches to solve will be discussed. In the end combination of both integrated as well as DR steelmaking will benefit both technologies

References:
[1] Maarten GEERDES, Rénard CHAIGNEAU, Ivan KURUNOV, Oscar LIANGIARDI, John RICKETTS – IOS press 3rd edition
[2] Hiroshi NOGAMI, Yoshiaki KASHIWAYA and Daisuke YAMADA - ISIJ International, Vol. 52 (2012), No. 8, pp. 1523–1527
[3] Valentin VOGL, Max ÅHMAN, Lars J. NILSSON - Journal of Cleaner Production 203 (2018) pp. 736-745

17:10: [IronTuePM212] OS
New variants of T-x diagram with three allotropes of iron
Maria Parfenova¹ ; Vasily Lutsyk¹ ; Vera Vorob'eva¹ ; Anna Barlukova² ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation; ²Dorzhi Banzarov Buryat State University, Ulan-Ude, Russian Federation;
Paper Id: 388 [Abstract]

In [1] there are 4 variants of T-x diagram with 3 allotropes of the component A: 1) the only peritectic transformation; 2) closed loop of 2-phase region with 2 low-temperature allotropes: 3) peritectic and evtectoid, divided by the eutectic; 4) metatectic and peritectoid, divided by the eutectic. Two additional variants are offered here: 5) metatectic and evtectoid, divided by the eutectic (Fig. 1,a); 4) peritectic and peritectoid, divided by the eutectic (Fig. 1,b). They were elaborated by means of flow diagrams (phase reaction scheme) [2].<br /> <br />Figure 1. T-x diagram with metatectic and eutectoid transformation (a), corresponding flow diagram (c), variant with peritectic and peritectoid transformation (b) and flow diagram (d)<br /> <br />In view of the widely spread use of computerized calculations of phase diagrams, there was an attempt to introduce a strict definition of Scheil reaction scheme (flow diagram) for the ternary systems [3]. As it was suggested that it be adopted for the production of computer-plotted flow diagrams, it’s better to start with the T-x diagrams of binary systems (like Fig. 1,c-d).<br />This work was been performed under the program of fundamental research SB RAS (project 0270-2021-0002).

References:
1. V.Ya. Anosov, S.A. Pogodin. Basic principles of phys.-chem. analysis. Publ. House USSR Ac. of Sci. M.-L. 1947. 876p. P. 469. (In Russian)\n2. R.G. Connell // J. Phase Equil. 1994. V. 15 P. 6-19. \n3. M. Hillert, B. Sundman // CALPHAD. 1990. V. 14. P. 111-114.

SESSION: IronTuePM3-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Tue. 29 Nov. 2022 / Room: Arcadia 1
Session Chairs: Michal Ksiazek; Session Monitor: TBA

17:50: [IronTuePM313] OS
Verification of T-x-y diagrams on the boundary of Fe-Ni-Co-Cu-S system
Vasily Lutsyk¹ ; Vera Vorob'eva¹ ; Anna Zelenaya¹ ; Maria Parfenova¹ ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation;
Paper Id: 273 [Abstract]

The quaternary Fe-Ni-Co-Cu system is a basic system for many industrial alloys, including currently actively developing alloys with high entropy of mixing [1]. The study of the formation of copper-nickel deposits, optimization of the processes in metallurgy of copper, nickel and cobalt, the production of new compounds with various properties have a physicochemical basis and can be solved through obtaining the accurate and reliable information on phase equilibriums within the four-component Fe-Ni-Cu-S and Fe-Ni-Co-S systems as well as their ternary boundary systems [2-4]. We had elaborated 3D computer models for T-x-y diagrams of real systems and for their prototypes with the expanded borders between the phase regions and afterwards we have printed 3D-puzzles of the exploded phase diagrams with the phase regions and with the clusters of phase regions as its elements. After the verifying of information on the bounding ternary systems, the assembling of the four-dimensional T-x-y-z diagrams has been completed. The methodology, which has been successfully developed by the authors for a long time, includes a comprehensive approach implemented in several stages: 1) to develop a prototype (4D computer model) of T-x-y-z diagram for a four-component system, based on knowledge about boundary systems and basic phase interactions within the volume of the system under study; 2) to obtain sufficient and reliable experimental data in a wide range of concentrations and temperatures; 3) to refine the T-x-y-z diagram prototype of the study system, taking into account the experimental results obtained. This work was been performed under the program of fundamental research SB RAS (project 0270-2021-0002).

References:
1. Vorob'eva V.P., Zelenaya A.E., Lutsyk V.I., Sineva S.I., Starykh R.V., Novozhilova O.S. High-Temperature Area of the Fe-Ni-Co-Cu Diagram: Experimental Study and Computer Design // Journal of Phase Equilibria & Diffusion. 2021; doi: https://doi.org/10.1007/s11<span class="fon_main_wrapper"><span phone-source="669-021-00863" class="fon-phone-wrap fon-hightlighted active-call" id="fon-phone-1vZPofqpHV">669-021-00863</span><a phone-source="669-021-00863" href="#" class="fonCallLinkButton active-call"><img src="data:image/png;base64,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" alt="F"/></a></span>-3.
2. Lutsyk V.I., Vorob'eva V.P., Zelenaya A.E. 3D computer model of the Ni-Cu-NiS-Cu2S Subsystem T-x-y diagram above 575oC // Russian Journal of Physical Chemistry. 2019. V. 93. No 13. P. 2593-2599.
3. Lutsyk, Vorob'eva V.P., Zelenaya A.E., Lamueva M.V. Т-х-у 3D Computer Model of the Co-Cu-CoS-Cu2S Subsystem T-x-y Diagram Above 800oC // Journal of Mining and Metallurgy. Section B: Metallurgy. 2021; doi: http://dx.doi.org/10.2298/JMMB1.
4. Lutsyk V.I., Vorob'eva V.P. 3D Computer Models of the T-x-y Diagrams, Forming the Fe-Ni-Co-FeS-NiS-CoS Subsystem // Russian Journal of Physical Chemistry. 2017. V. 91. No 13. P. 2593-2599.

18:15: [IronTuePM314] OS
BIO-COKE FOR MANGANESE ALLOY PRODUCTION
Michal Ksiazek¹ ; Nicholas Smitch Hansen¹ ; Michał Rejdak² ; Robert Baron³ ; Sten Yngve Larsen⁴ ; Sarina Bao⁵ ; ¹SINTEF, Trondheim, Norway; ²Institute of Energy and Fuel Processing Technology,, Zabrze, Poland; ³Koksownia Częstochowa Nowa,, Warszawa, Poland; ⁴Eramet AS,, Porsgrunn, Norway; ⁵SINTEF AS, Trondheim, Norway;
Paper Id: 462 [Abstract]

Production of Mn alloys in submerged arc furnace (SAF) has a high CO2 footprint which relates to the fact that carbon is used as reductant and is consumed during production. In "The Norwegian Process Industries Roadmap", the ambition is that the metal industry shall have zero fossil CO2 emissions and increased production within 2050. Currently, no alternative commercial processes exist and there are few options for reducing the emissions. One of the most obvious is the partial replacement of fossil carbon with carbon derived from biomass.<br />The concept of the tailor-made biocoke for Mn production, which is hybrid reductant produced by use of coal-biomass blends, is developing within the Biocoke4FAl project between Polish-Norwegian cooperation. The main objective of this paper is assessment of tailor-made biocoke with charcoal additions up to 20% towards the production process for manganese alloys. The main properties of the reductants investigated are cold and warm strength, CO2 reactivity, slag reactivity and electrical resistivity are subjects of this paper.

SESSION: IronWedAM-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Wed. 30 Nov. 2022 / Room: Arcadia 1
Session Chairs: Mery-Cecilia Gomez Marroquin; Paulo Assis; Session Monitor: TBA

11:30: [IronWedAM01] OL Plenary
Vision Of Iron And Steel Production Without Coal And Coke
Paulo Assis¹ ; ¹Federal University of Ouro Preto, Ouro Preto, Brazil;
Paper Id: 174 [Abstract]

Some studies have shown that the use of biogas in steel companies can be very useful. Since the biogas could be the substitute of coke (this requires coking coal) and non-coking coal that is injected into the tuyeres which are essential materials in the production of hot metal and consequently in the production of steel, the biogas can also come to allow the reduction of the production cost of iron and steel consequently. The objective of this paper is to do an economic survey of the biogas which can be used at steel companies. The research consists of raising costs of production of biogas from where it is manufactured (farms and small producers) through the cost of logistics transportation and storage until to the end consumer (steel plants). The idea is to study the possible substitution of natural gas, to guarantee the high temperature compared with the normal process, by using the biogas. In this subject, it can be developed a thermal balance where the biogas volume will be calculated to have the final profile, same as using natural gas. Additionally, it will be shown that the next step is to provide the Direct Reduction Process to use Biogas in substitution of Natural Gas. Based on the amount of the residues given by Cattle Breeding, it can be concluded that the Iron and Steel production in the World can achieve an amount of two thousand million tons of Steel yearly, only using the biogas with no coke, no charcoal, no Natural Gas. This is our big challenge for this century. Key-Words: Environment, Sustainability, Blast Furnace, Biogas, Natural Gas, Coke rate

References:
Assis, P.S. et alli. Patent submitted to INPI, 2012, Brazil

11:55: [IronWedAM02] OS Keynote
THE FUTURE OF THE STEEL INDUSTRY WITH LESS GREENHOUSE GASES EMISSIONS
Alex Campos¹ ; Ana Laura Nascimento² ; Paulo Assis³ ; Jorge Murta² ; ¹Federal University of Ouro Preto, Ouro Branco, Brazil; ²Federal University of Ouro Preto, Ouro Preto, Brazil; ³UFOP, Ouro Preto, Brazil;
Paper Id: 155 [Abstract]

The steel industry is known for the large amount of greenhouse gases emitted in the atmosphere in its processes, mainly for the burning of fossil fuels. The sector is responsible for about 10% of all CO2 emitted in the world, which 70% comes from the burning of coal and coke in the blast furnace. In the short term, we have as reality the use of electric steelworks, it means, the production of steel from scrap and other inputs. Electric steelworks are already commonly known and have the advantage that is not necessary burning fossil fuels. However, a high demand for electricity is necessary, which in some countries has a high cost, making the business unfeasible. The use of hydrogen in the production of primary iron has been studied and is pointed as an interesting alternative, although the cost of obtaining it and the forms of use need to be better defined making it a long-term possibility. Another possibility is the use of biomass in the processes, that has been studied and in some small blast furnaces it is used, mainly in Brazil. This is an alternative that can be envisioned in some countries once there is availability of these materials, requiring only some adaptations of processes for implementation. Therefore, this work comes with the purpose of showing some alternatives for the future of steel companies with the increase of emission restrictions, focusing mainly on a short to medium term solution that are biomasses.

12:20: [IronWedAM03] OS
Integrated Systems For Byproducts And Waste Manegement In The Steel Plant
Raquel Correa¹ ; Italo Nathan Lima¹ ; Bernardo Leal¹ ; ¹Ternium Brasil, Rio de Janeiro, Brazil;
Paper Id: 283 [Abstract]

Industrial revolutions mark a great leap of technologies that changes the productive paradigm, that change is known as industrial revolutions [1] [2]. Industry 4.0 has changed the way industry operates and manages its operations, new technologies are being applied to increase productivity, reduce losses utilizing information systems and communication based on the Internet of Things (IoT). [3] In this context, new systems were adopted to facilitate the management of industrial processes, for those processes which have interaction between different sectors in the production operations, integrated systems emerge as a solution to facilitates communication and time reduction to collect data. Due to automation, there is an increase in the control over operational variables. The present work presents solutions based on the concept of industry 4.0, especially integrated systems for the management of by-products and waste produced in a steel plant. The Online Productive Process Monitoring (OPPM) and the By-products Management Integrated Systems (BMIS) are automatic solutions applied for by-products management. The first one shows the by-products consumption in different sectors. The monitoring is online and on-demand. The Waste Collections Monitoring Points (WCMP) facilitates the logistics of waste collection.

References:
[1] S. Weyer; J.P. Simoes, Y. Reuter, F. Hansen, C. Solver, A. Schmitz, A. Lyrio. Digital Solutions For Modern And Efficient Ironmaking, 23° Seminário de Automação e TI, São Paulo, p. 325-337, 2019.

[2] H. Lasi, P. Fettke, H. G. Kemper, T. Feld and M. & Hoffmann. Industry 4.0,
Business & Information Systems Engineering, International Journal of Information Systems, p. 239-242, 2014.

[3] L.S. Dalenogare, G.B. Benitez, N.F. Ayala, A. G. Frank . The expected contribution of Industry 4.0 technologies for industrial performance. International Journal of Production Economics, v.204. p. 383-394, 2018.

12:45: [IronWedAM04] OL
CHARACTERIZATION OF BRAZILIAN LD SLUDGES
Mery-cecilia Gomez Marroquin¹ ; Jose Carlos D'abreu² ; ¹National University of Engineering, Lima, Peru; ²PUC-Rio, Rio de Janeiro, Brazil;
Paper Id: 158 [Abstract]

Carbothermic reduction of fine steel sludge (FSS-LD) and coarse steel sludge (CSS-LD) occured from Linz Donawitz steelworks in a Brazilian semi-integrated steel plant. These processes were carried out prior to characterization, for which, they determined high levels of iron content (51.54 - 77.53%) and zinc content (0.49 - 1.69%), as well as, a little specific carbon content (0.0215 - 0.0350%). Morphology shown by these residues are made up of globular aggregates of metallic iron intergrown with crystals of iron oxides and zinc oxide with particle sizes between 0.12- and 0.15-mm observable through a Scanning Electron Microscope (SEM). Thermal characterization via DTG-DSC-TG at 1000°C prior to carbothermic reduction Mass losses of 92.57% were observed for the FSS - LD sample and 97.43% for the CSS - LD sample

References:
[1] Drobíková, K., Plachá, D., Motyka, O., Gabor, R., Kutláková, K. M., Vallová, S., & Seidlerová, J. (2016). Recycling of blast furnace sludge by briquetting with starch binder: waste gas from thermal treatment utilizable as a fuel. Waste management, 48, 471-477.
[2] Purohit, A., Swain, P. T. R., & Patnaik, P. K. (2020) Mechanical and sliding wear characterization of LD sludge filled hybrid composites. Materials Today: Proceedings.
[3] Das B, Prakash S, Reddy PSR, Misra VN (2007) An overview of utilization of slag and sludge from steel industries. Resources, Conservation and Recycling. 2007; 50: 40-57.
[4] Cantarino Marcos Vinicius (2011). Estudo da remoção de zinco e de álcalis contidos em lamas de aciaria LD. Dissertação de Mestrado apresentada ao Curso de Pós-Graduação em Engenharia Metalúrgica e de Minas da Universidade Federal de Minas Gerais. Orientador: Prof. Marcelo Borges Mansur, 2011.
[5] Kusinski, J., Jasienska, S., & Monty, C. (1994). Microstructural and microanalytical examinations of partially reduced doped wustites. Solid state ionics, 68(3-4), 185-192.
[6] Maggi, F., Dossi, S., Paravan, C., Galfetti, L., Rota, R., Cianfanelli, S., & Marra, G. (2019). Iron oxide as solid propellant catalyst: A detailed characterization. Acta Astronautica, 158, 416-424.
[7] Jalkanen, H., & Holappa, L. (2014). Converter steelmaking. In Treatise on process metallurgy (pp. 223-270). Elsevier. DOI:
[8] Gómez-Marroquín, M. C.; Salazar-Yantas K. A. Tinoco-Falero J. A.; Infante-Rojas M. D. (2018) Characterization of coarse and fine residues from a sludge site of an integrated steel plant in Peru. Iron and Steel Technology Conference and Exposition AISTech 2018. Volume 2018-May, 2018, 951-957
[9] Gómez-Marroquin, Mery C.; D'Abreu, J. C. (2017) Characterization of Peruvian Linz Donawitz-LD Steel Sludges. SIPS 2017-Sustainable Industrial Processing Summit & Exhibition, Cancun-México 2017.

SESSION: IronWedPM1-R3	Poveromo International Symposium (8th Intl. Symp. on Advanced Sustainable Iron & Steel Making)
Wed. 30 Nov. 2022 / Room: Arcadia 1
Session Chairs: Koji Saito; Ben Ellis; Session Monitor: TBA

14:00: [IronWedPM105] OS Plenary
Current status and future perspective of Japanese ironmaking technology for environmental solution
Koji Saito¹ ; ¹Nippon Steel Corporation, Futtsu City, Japan;
Paper Id: 8 [Abstract]

The last decade was a turbulent for the steel industry. The reorganization of steel industry across borders has progressed and the increased demand for steel products has made the price of raw materials such as iron ore and metallurgical coal more volatile than ever. Ironmaking technology division in JAPAN has been exposed to global competition and has tried to cope with these changes and to increase its international competitiveness by developing such technologies as utilization of lower grade raw materials, productivity enhancement, measures for energy conservation and reduction of CO2 and NOx emission and so on. This paper describes the recent progress in ironmaking technologies in JAPAN.

14:25: [IronWedPM106] OS
Productivity Improvement of Large Blast Furnace (4554 m3) at Jindal Steel and Power Angul, India
Ritesh Mishra¹ ; Nadeem Khan² ; Damodar Mittal² ; ¹Jindal steel & Power, Angul, India; ²Jindal Steel & Power, Angul, India;
Paper Id: 386 [Abstract]

Jindal Steel and Power (JSP) is a major steel producer in India, commissioned its blast furnace with a size of 4554 m3 in May 2017 at Angul in the state of Odisha, India. This large Blast Furnace has achieved productivity of 3.16 t/m3 of working volume/day by producing more than 12000 tons of hot metal in a day. In this paper, productivity improvement of large blast furnace were illustrated by the two aspects, raw materials preparation and blast furnace process optimization. Firstly in terms of raw materials preparation, producing highly reducible sinter, improving sinter physical properties, optimization of coke quality, improving pellet properties, optimization of burden mix, reducing slag volume and Secondly in terms of blast furnace operation, improving BF gas utilization by controlling furnace parameters at both upper and lower part, the upper adjustment include raw material charging, batch weight, BLT hopper changing frequency and lower adjustment include the control of blast kinetics by blast temperature, humidification control, high top pressure, oxygen enrichment, efficient coal injection, top temperature, optimizing silicon content in hot metal, controlling heat loss and achieving higher permeability inside the cylindrical structure of blast furnace.

References:
[1] Dong-dong ZHOU, Shu-sen CHENG, Ying-sheng WANG and Xi JIANG, Production and Development of Large Blast Furnaces from 2011 to 2014 in China, 2015 ISIJ International, Vol. 55, No. 12, pp. 2519–2524
[2] Maarten Geerdes, Oscar Lingiardi and Peter Warren, New Perspective on Blast Furnace Optimization and Upset Prevention, 2018 AISTech Conference Proceedings PR-374-035.
[3] S R Sengupta, B B Majumder, S K Bhattacherjee and S C Sarkar Challenges of large Blast Furnaces – The Indian Story, Steel Tech January-2016.

14:50: [IronWedPM107] OS
Pathways to Sustainable Steelmaking Using the HIsmelt Ironmaking Technology
Neil Goodman¹ ; ¹Smelt Tech Consulting, APPLECROSS 6153, Australia;
Paper Id: 53 [Abstract]

<p>The HIsmelt ironmaking technology is operating successfully in China and its unique flexibility to smelt a wide range of raw materials offers several pathways to sustainable steelmaking. The HIsmelt technology was developed in Australia from 1990 to 2016 and has been owned and operated in China by Molong Petroleum Machinery Ltd since 2016. HIsmelt produces high quality liquid pig iron that can be used in electric arc furnaces (as hot metal or cold pigs) or oxygen steelmaking furnaces (as hot metal). The pathways to sustainable steelmaking include:  (1) elimination of CO2 emissions via the injection of sustainable biomass and/or carbon capture and sequestration, (2) consumption of DRI produced via hydrogen reduction and/or biomass reduction, (3) consumption of local iron ore resources not suitable for use in blast furnaces or DRI furnaces, and (4) production of hydrogen via electrolysis using excess power from the waste gas. The HIsmelt plant currently operating in China has a 6m diameter hearth and produces approximately 600,000 tonnes per year of hot metal from directly shipped iron ore fines. The production from a 6m module could be increased to 1,500,000 tonnes per year of hot metal when smelting DRI. A larger module HIsmelt plant has been designed that could double the production of hot metal from a single vessel i.e. up to 3,000,000 tonnes per year of hot metal.</p>

15:15: [IronWedPM108] OS
Top Gas Recycling with Hydrogen – A Strategy to Reduced Blast Furnace CO2 Emissions
Ian Cameron¹ ; Ben Ellis² ; ¹Hatch, Mississauga, Canada; ²BHP, Singapore, Singapore;
Paper Id: 290 [Abstract]

As part of the European Community’s Ultra-Low Carbon Dioxide Steelmaking (ULCOS) program, blast furnace top gas recycling was tested to reduce CO2 emissions using the LKAB experimental blast furnace. During tests from 2007-2010, the blast carbon rate was reduced by about 25% when CO recovered from blast furnace top gas was re-injected into the furnace stack using a second bustle pipe. Hatch and BHP have re-visited the top gas cycling concept to assess if additional technologies such as hydrogen and hot oxygen injection could be implemented to further reduce CO2 emissions beyond what was achieved at the experimental blast furnace. Using a 2-stage heat and mass balance model, viable operating conditions were established for a low carbon rate operation, significantly less than what was achieved in the ULCOS trials. Details of the enabling technologies to reach such low CO2 emission rates will be presented.

SESSION: MetalsWedPM2-R3	Dmitriev International Symposium (6th Intl. Symp. on Sustainable Metals & Alloys Processing)
Wed. 30 Nov. 2022 / Room: Arcadia 1
Session Chairs: Bagdaulet Kenzhaliyev; Anil K. Kar; Session Monitor: TBA

15:55: [MetalsWedPM209] OS
PSWC-BAR FOR SUSTAINABLE REINFORCED CONCRETE CONSTRUCTION
Anil K. Kar¹ ; U. K. Chatterjee² ; ¹Engineering Services International, Salt Lake City, Kolkata, India., Kolkata 700064, India; ²IIT Kharagpur (Retired Professor), Kolkata 700106, India;
Paper Id: 321 [Abstract]

Strength, rigidity and durability of reinforced concrete constructions, with plain round bars of mild steel as rebars, made it the number one medium of construction. Later, ribbed bars of high strength carbon steel were introduced in the hope of making reinforced concrete constructions more economical. Proponents of ribbed bars overlooked that the provision and presence of ribs make ribbed bars of carbon steel highly susceptible to corrosion. Consequently, constructions with ribbed bars of carbon steel proved to be less sustainable, as such constructions reached states of distress early. The excessive corrosion destroys or reduces load-carrying capacity of concrete elements, reinforced with ribbed bars. It can also lead to local or total failure of structures during vibratory loadings. Moreover, loose rust on the surface of ribbed bars will prevent any possible passivation of rebars, thereby hastening the process of corrosion in rebars and distress in reinforced concrete constructions. As claimed solutions, fusion bonded epoxy coated ribbed bars, ribbed stainless steel bars, polymer coated glass fibre and granite reinforced bars, have been used. Besides high cost, these bars do not “bond” with concrete, whereas the availability of competent bond between rebars and the surrounding concrete is an essential requirement for the satisfactory performance of reinforced concrete. Use of corrosion inhibitors with concrete and provision of surface protection systems in the nature of waterproofing treatment, so as to prevent corrosion in steel elements inside concrete, are accepted practices today. These alternative solutions cost money, and the performance of concrete elements are dependent upon the performance of the contractor. Moreover, the use of corrosion inhibitors or the provision of surface protection systems cannot solve problems, which may be caused by the lack of bond between rebars and concrete, viz., reduced load-carrying capacities, lack of ductility, and local or total failure of structures during vibratory loadings. PSWC-BAR, characterized by its plain surface and wave-type configuration, provides a zero-cost solution to all the problems and limitations of ribbed bars and alternative solutions. In due consideration of using steel with high elongation properties, it is recommended to limit the use to steel of yield strength not exceeding 550 MPa. The absence of ribs on the surface of PSWC-BAR makes it free of excessive corrosion, that is associated with conventional ribbed rebars, thereby leading to several-fold enhancement of life span of concrete constructions with PSWC-BAR. The several-fold enhancement of life span of concrete structures lowers the life-cycle cost of construction to a fraction of what it is today, and it increases very significantly the financial, social, environmental and global sustainability of reinforced concrete constructions than what it is today. The many benefits of using PSWC-BAR are derived from its physical characteristics of plain surface and wave-type configuration. The use of PSWC-BAR, with its wave-type configuration, leads to enhancement of effective bond between such bars and the surrounding concrete, thereby leading to increased load-carrying capacity, and several-fold increase in ductility and energy-absorbing capacity, making constructions cheaper and safer during earthquake events, adding to the sustainability of reinforced concrete construction.

References:
REFERENCES :
[1] A. K. Kar, New Building Materials & Construction World, Vol 16, July (2010) 180-199.
[2] A. K. Kar, The Masterbuilder, Vol 20, September (2018) 136-146.
[3] A. K. Kar, Pro of Inst of Civil Engineers --- J. of Construction Materials, https://doi.org/10.1680/jcoma.18.00019 (2019) 1-9.
[4] A. K. Kar, The Masterbuilder, Vol 21, September (2019) 102-110.
[5] A. K. Kar, Design of Cities and Buildings – Sustainability and Resilience in the
Built Environment, IntechOpen, January (2021) 1-26.

16:20: [MetalsWedPM210] OS
POSSIBILITY OF SEPARATION OF CHROME FROM TITANIUM IN ILMENITE CONCENTRATE
Bagdaulet Kenzhaliyev¹ ; Omirserik Baigenzhenov² ; ¹Kazakh-British Technical University, Almaty, Kazakhstan; ²Satbayev University, Almaty, Kazakhstan;
Paper Id: 291 [Abstract]

ABSTRACT Processing of ilmenite concentrates into titanium-containing slag, titanium tetrachloride, and titanium sponge is complicated by the high content of chromium in it. Therefore, the methods based on preliminary carbon reduction of ilmenite concentrate at 900-1200 °С and following reduction of reduced iron and chrome by electromagnetic separation are widely used in industry. Then the non-magnetic titanium-chromium fraction is for hydrochemical treatment to purify it from chromium and other impurities. It has been determined that the selective solid-phase reduction of ilmenite chromiumcontaining concentrate should be performed at 1250 °С and 2 hours’ dwell period. It was found that the addition of 8% sodium chloride to the charge accelerates the reduction process for iron from ilmenite. At the same time, the recovery of reduced iron into the magnetic fraction is 76.1%, recovery of chromium is 55.8%, recovery of titanium is 15.3%. The titanium-chromium fraction was sintered with the calculated amount of soda at 850 °С for 2 hours to separate chromium from titanium compounds and leached with hot water (S:L = 1:4) at the temperature of 95-100 °С and stirring for 120 minutes. At the same time, the chromium recovery into the solution was 83.6%. Titanium-beneficiated concentrate contains 6.2% iron, 36.2% titanium and 0.42% chromium.

References:
Keywords: ilmenite concentrate, high chromium content, reductive roasting, magnetic separation,
soda, sodium chloride, leaching

16:45: [MetalsWedPM211] OS
Research of problems of operation of mobile technological complexes of mine water treatment
Boris Zobnin¹ ; Vitaly V. Kochetkov² ; ¹Уральский государственный горный университет, Екатеринбург, Russian Federation; ²Ural State Mining University, Yekaterinburg, Russian Federation;
Paper Id: 208 [Abstract]

Completion of the development of a large number of fields in recent years has led to the need to manage the processes occurring at the post-operational stage of the operation of these fields, disrupted by long-term mining operations. One of these processes is the self-discharge of mine water. In 1998, the International Network for Acid Prevention (INAP) was established as an association of leading mining companies (Anglo American, Barrick Gold Corporation, Rio Tinto, etc.). The goal of INAP is to significantly improve the management of sulfide ore materials during and after mining, to reduce the consequences associated with acid drainage by consolidating information and experience in the field of acid drainage, sharing knowledge and research, and developing technologies. However, it has not yet been possible to solve the problem of purifying acidic mine waters from heavy metals and neutralizing them using reagent-free methods on an industrial scale. The increased interest in reagent - free treatment methods of liquid media is explained by the fact that these methods of cleaning and disinfection do not pollute the natural environment with chemicals and do not have a harmful or irritating effect on the human body. <br />The aim of the work is to develop and scientifically substantiate a set of mathematical models that allow optimizing the technological regime of acid mine water treatment (AMW) by a reagent-free method. To achieve this goal, the following tasks are set and solved:(1)substantiation of a set of models describing the operation processes of mobile technological complexes for the treatment of AMW, (2) development of a methodology for pre-project analysis of the mobile technological complex and (3) development of a mathematical model of the operation process of mine water treatment with the extraction of heavy metals from them. Theoretical and methodological basis of the study was the methods of systems theory, reliability theory, and mathematical modeling. "Event trees" were used as probabilistic models of reliability and safety of EW cleaning systems.A paradigm of minimizing environmental and economic risks caused by the closure of unprofitable copper-zinc-pyrite mines has been developed. The paradigm is formed to prevent an environmental disaster caused by the self-discharge of water from mines that are on " wet " conservation [1]. The resolution of the conflict situation is provided by the introduction of adaptive mobile technological complexes for the treatment of acidic mine waters and the extraction of heavy metals from them. It is shown that mines located on wet conservation are weakly structured objects with unstable functioning and data uncertainty [2,3]. The functioning of the technological complex is represented as a change in the state of its links: water treatment, its treatment in the reactor and separation into target products.

References:
[1] Boris B. Zobnin, Vitaly V. Kochetkov Paradigm for Minimizing Environmental and Economic Risks of Closing Copper-Zinc-Pyrite Mines//International Scientific and Practical Forum ASU SciTech Forum 2020, Barnaul, Russia\n[2] Zobnin B. B. Evolution of technogenic mineral formations as sources of economic and environmental risks//News of UGGU. Series: Mining, 2005, issue 21, pp. 138-143.\n[3] Zobnin B. B., Makov A. A., Ba Mamadou Gando. Types of uncertainties arising in the evaluation of investment projects of mine water processing / / Algorithms, methods and systems of data processing: electronic scientific journal, 2019, issue 2 (40) ]

17:10: [MetalsWedPM212] OS
ISSUES OF COPPER SLAG UTILIZATION AND THEIR PYROMETALLURGICAL SOLUTION
Alexander Povolotskii¹ ; Galymzhan Adilov² ; Александр Шестаков³ ; Василий Рощин³ ; ¹South Ural State University, Chelyabinsk, Russian Federation; ²South Ural state university, Chelyabinsk, Russian Federation; ³South Ural State University, Chelyabink, Russian Federation;
Paper Id: 218 [Abstract]

Over 140 million tons of copper slag have been accumulated in the Russian Federation and this amount continues to increase. The storage of the copper slag not only requires a large area, but also causes environmental issues. The environmental taxes and landfill maintaining are costly, making it necessary to process the production wastes as completely as possible. At the same time, these slags contain valuable elements, in particular, iron, copper, zinc, selenium, arsenic and some others, which recovery can make the slag utilization profitable. The highest value is represented by iron which content exceeds 40%; it is almost at the level of some iron ores used in the ferrous metallurgy. However, the use of this iron-containing material in the conventional processes of ferrous metallurgy is complicated due to the high content of copper (up to 0.6%) . In addition, the extraction of iron by conventional methods cannot solve the issues with recycling the newly formed slag. Other existing methods of processing of copper-smelting slags are aimed at extraction of certain components, but they cannot solve the issue of their disposal in general. The purpose of this work was to develop economically feasible methods for the complete utilization of copper-smelting slags and obtain the demanded products. The object of the study was the dumped slag produced during copper smelting. The slag contains metal particles consisting of copper, iron, antimony and tin. The oxide phase is represented by the iron spinel particles and complex silicates containing iron, zinc and other elements. Spinel contains a relatively high amount of sulfur and the silicate phase contains impurities of non-ferrous metals. According to the XRD analysis, the main iron-containing phases of the sludge are fayalite 2FeO∙SiO2, magnetite Fe3O4, and pyroxene СaFeSiO4. In this paper, the processing of copper-smelting slags was studied by using solid-phase reduction of iron with carbon from steam coal. At the reduction stage, zinc was extracted into gas phase and during smelting of the reduced semi-finished product the copper-containing cast iron with a high sulfur content and oxide melt were obtained. Afterwards, the grinding media were produced from the obtained cast iron which showed high performance properties, and on the basis of the slag residue proppants were produced that are in demand in the oil and gas industry.

References:
[1] Busolic, D., et al. (2011). Recovery of Iron from Copper Flash Smelting Slags Mineral Processing and Extractive Metallurgy, issue 120(1), pp. 32-36.
[2] Roshchin, V. E, Adilov, G. A. Povolotskii, A. D. and Potapov K. O. (2019). Combined Processing of Copper-Smelting Slags for the Manufacture of Valuable Products. Russian Metallurgy (Metally), Vol. 2019, No. 12, pp. 1241–1248.
[3] V.E. Roshchin, G.A. Adilov, A.D. Povolotckii, and Y. Kapelyushin, (2020), “Complex Processing of Copper Smelting Slags with Obtaining of Cast Iron Grinding Media and Proppants” in IV Congress “Fundamental research and applied developing of recycling and utilization processes of technogenic formations”, KnE Materials Science, pages 462–471. DOI 10.18502/kms.v6i1.8126
The reported study was funded by RFBR, project number 20-38-90109.
The research was funded by RFBR and Chelyabinsk Region, project number 20-48-740034.

SESSION: MetalsWedPM3-R3	Dmitriev International Symposium (6th Intl. Symp. on Sustainable Metals & Alloys Processing)
Wed. 30 Nov. 2022 / Room: Arcadia 1
Session Chairs: Gour Gopal Roy; Shahid Hussain Abro; Session Monitor: TBA

17:50: [MetalsWedPM313] OS Invited
RHF-EAF A Sustainable Route of Steelmaking: An Exergy Analysis
Gour Gopal Roy¹ ; Prodip Sen² ; Binay Kumar¹ ; ¹Indian Institute of Technology Kharagpur, Kharagpur, India; ²Retired from IIT Kharagpur, Kolkata, India;
Paper Id: 228 [Abstract]

A sustainable steelmaking process is characterized by efficient resource use with minimal energy losses, which in turn may be correlated to process exergy efficiency. This parameter depends on fuel type, secondary energy input such as electricity and steel scrap utilization ability. A high process exergy efficiency is likely to lower carbon footprint of the process through utilization of process fuel gases. RHF is based on dual fuel where it uses coal for reduction and natural gas (a low carbon fuel) for heat generation. RHF also generate rich off gas, with subsequent utilization of this gas to generate power for enhancing energy efficiency. Thus a RHF-EAF (Rotary Hearth Furnace-Electric Arc Furnace) process is expected to emit lower CO2 per ton of crude steel for the dual input fuel mix and given scrap input in steel making. Additionally, RHF-EAF process may also run with higher proportion of steel scrap in addition to DRI produced from virgin source, which has the potential to lower the RHF-EAF emissions further. According to WSA, steel scrap can be recycled infinitely without any loss of quality and recycling of 1 ton of steel scrap saves 1.5 ton of CO2. Exergy analysis and CO2 emission of dual fuel RHF-EAF process is studied using mathematical models and compared with coal based processes like BF-BOF, COREX-BOF. Two variant of RHF producing iron nugget (ITmk3 process) or DRI (FASTMET process), are considered separately. Although, at lower scrap level BF-BOF always yields lower total exergy loss values as compared to RHF-EAF process, at higher scrap level (50% scrap) RHF-EAF yields lesser total exergy loss which is further lowered on hot charging of the DRI produced. The total exergy loss with hot charging of DRI is lower than BF-Tenova (BOF with Arc facility) process at higher scrap levels (50%). At identical scrap level, RHF-EAF processes are always found to produce higher gas based exergy efficiency. Considering the conversion of product gas exergy to generate electricity, metal based exergy indices of RHF-EAF processes are found to be superior or comparable to coal based BF-BOF and COREX-BOF processes. Net CO2 emission through RHF-EAF processes are (around 1.92-2.01 ton/tcs) found to be comparable to BF-BOF process. Again on consideration of product gas conversion to electricity and carbon credit, CO2 emission from RHF-EAF system is always found to be lower than BF-BOF process.

18:15: [MetalsWedPM314] OS
Effect of Heat Treatment parameters on Microstructure morphology and Mechanical Properties of automotive steel
Shahid Hussain Abro¹ ; Guwanwook Thouth Kim² ; ¹NED University of Engineering and Technology Pakistan, KARACHI, Pakistan; ²Korea Advanced Institute of Science and Technology, Daejeon, South Korea;
Paper Id: 309 [Abstract]

The SAE/AISI 1045 steel is one of the structural steels widely used in the automotive sector to several key components such as connecting shafts, axles etc. It is also used in petrochemicals and power generation units. In material science and engineering; four interdependent parameters are of paramount importance which includes; process structure, properties and performance. Among all factors the structure / microstructure is of utmost importance since it governs the properties at large. For example it depends on the size, shape, and distribution of various micro constituents therein. Therefore, the main aim of this study is to investigate the response of the microstructures (structure-property correlation) upon application of heat treatment processes such as annealing, normalizing, tempering and hardening. This was followed by the characterization such as spectrometry analysis was carried out for chemical composition of the steel. While impact and hardness tests were also conducted. Results suggest an improved toughness and hardness when tempering temperature was reduced. This is attributed to decreased grain sizes of micro constituents upon such treatment. Interestingly one more aspect was noted that the chemical composition changes slightly during heat treatment processes which might be in range of standard. However, it could affect the surface properties of steel during service.

References:
K. Funatani and G. Totten, "Present Accomplishments and Future Challenges of Quenching Technology," in Proceedings of the 6th International Federation of Heat treatment and Surface Engineering Congress, IFHTSE, Kyongju, Korea, 1997, pp. 20-27.
[2] D. Fadare, T. Fadara, and O. Akanbi, "Effect of heat treatment on mechanical properties and microstructure of NST 37-2 steel," 2011.
[3] T. Gladman, D. Dulieu, and I. McIvor, "Microalloying 75 Symposium," Washington, DC, pp. 25-34, 1977.
[4] P. N. Rao, Manufacturing technology vol. 1: Tata McGraw-Hill Education, 2013.
[5] A. Çalik, "Effect of cooling rate on hardness and microstructure of AISI 1020, AISI 1040 and AISI 1060 Steels," International journal of Physical sciences, vol. 4, pp. 514-518, 2009.
[6] S. Sankaran, V. S. Sarma, and K. Padmanabhan, "Low cycle fatigue behavior of a multiphase microalloyed medium carbon steel: comparison between ferrite–pearlite and quenched and tempered microstructures," Materials Science and Engineering: A, vol. 345, pp. 328-335, 2003.
[7] G. Gopalkrishna, R. B. Gurumurthy, and M. Davanageri, "Heat treatment and mechanical characterization of En8 steel," in AIP Conference Proceedings, 2019, p. 050005.
[8] S. Rahman, K. E. Karim, and M. H. S. Simanto, "Effect of Heat Treatment on Low Carbon Steel: An Experimental Investigation," in Applied Mechanics and Materials, 2017, pp. 7-12.
[9] C. M. Moleejane, "An experimental investigation of the effect of microstructural features on mechanical properties of EN8 steel," Cape Peninsula University of Technology, 2009.
[10] M. B. Ndaliman, "An assessment of mechanical properties of medium carbon steel under different quenching media," AU JT, vol. 10, pp. 100-104, 2006.
[11] S. Harisha, S. Sharma, U. A. Kini, and M. G. Shankar, "Study on Spheroidization and Related Heat Treatments of Medium Carbon Alloy Steels," in MATEC Web of Conferences, 2018, p. 02008.
[12] T. Senthilkumar and T. K. Ajiboye, "Effect of heat treatment processes on the mechanical properties of medium carbon steel," Journal of Minerals & Materials Characterization & Engineering, vol. 11, pp. 143-152, 2012.
[13] I. Akhyar and M. Sayuti, "Effect of heat treatment on hardness and microstructures of AISI 1045," in Advanced Materials Research, 2015, pp. 575-579.
[14] T. B. Massalski, "Binary alloy phase diagrams," ASM international, vol. 3, p. 2874, 1992.
[15] G. F. Vander Voort, S. R. Lampman, B. R. Sanders, G. J. Anton, C. Polakowski, J. Kinson, et al., "ASM handbook," Metallography and microstructures, vol. 9, pp. 44073-0002, 2004.
[16] N. M. Ismail, N. A. A. Khatif, M. A. K. A. Kecik, and M. A. H. Shaharudin, "The effect of heat treatment on the hardness and impact properties of medium carbon steel," in IOP Conference Series: Materials Science and Engineering, 2016, p. 012108.

SESSION: PhysicsMonAM-R4	Virk International Symposium (Intl Symp on Physics, Technology & Interdisciplinary Research for Sustainable Development)
Mon. 28 Nov. 2022 / Room: Arcadia 3
Session Chairs: Gurtej Sandhu; Session Monitor: TBA

11:30: [PhysicsMonAM01] OS Plenary
Groundwater Contamination due to Uranium and Heavy Metals and its Mitigation for Sustainable Development of Punjab State, India
Hardev Singh Virk¹ ; ¹SGGS World University Fatehgarh Sahib, SURREY, India;
Paper Id: 279 [Abstract]

Punjab State is facing a crisis situation due to high levels of uranium (U) and heavy metals in groundwater of Punjab [1-4]. Anomalous values of Uranium are reported in the nine districts of Malwa region of Punjab with U content higher than the WHO safe limit for drinking water. The origin of these anomalies is attributed to geogenic sources [5]. High values of Arsenic (As) and Selenium (Se) are reported in the Majha and Doaba belts of Punjab, respectively. Groundwater quality has deteriorated due to presence of other heavy metals, such as iron, nickel, cadmium, chromium, aluminium, and lead, and by the presence of anomalous values of basic parameters, such as TDS (total dissolved salts), calcium, magnesium, sulphate, nitrate, chloride and fluoride in certain other areas of Punjab. Health hazard effects of Uranium and other heavy metals are reported in our study [3, 4]. For sustainable development of Punjab State, mitigation measures have been proposed to get rid of Uranium and heavy metals like Arsenic and Iron. Groundwater contamination problem has been tackled under the World Bank funded project since 2007. The various measures undertaken to supply potable water are RO system, Canal water and AMRIT Technology for mitigation of Arsenic and Iron in the Majha belt.

References:
[1] H.S. Virk, Research & Reviews: A Journal of Toxicology. 7(2) (2017) 6–11.
[2] H.S. Virk, Research & Reviews: A Journal of Toxicology. 7(3) (2017) 27–33.
[3] H.S. Virk, Research & Reviews: A Journal of Toxicology. 9(3) (2019) 19-28.
[4] H.S. Virk, Research & Reviews: A Journal of Toxicology. 10(1) (2020) 1–7.
[5] P.K. Sahoo, H.S. Virk, M.A. Powell, R. Kumar, J.K. Pattanaik, G. Salomão, S. Mittal, R.P. Tiwari, Sci. Total Environ. (Submitted).

11:55: [PhysicsMonAM02] OS Plenary
The Future of Memory Chip technology
Gurtej Sandhu¹ ; ¹Micron Technology, Boise, United States;
Paper Id: 484 [Abstract]

Without advances in how the world physically stores and retrieves data, today’s most useful devices and algorithms would not exist. The dominant memory chip technologies such as NAND Flash and DRAM rode the wave of innovations in materials, process and device technologies to scale down the path of Moore’s law. Although physical scaling is becoming increasingly difficult, the forces and market pull driving cost, power and density scaling are growing relentlessly. The amount of memory in systems for example is increasing geometrically and the applications continue to diversify and expand from traditional handheld devices and large data centers. A commitment to innovation and creativity is needed to help fuel the next generation of technologies such as self-driving cars, space exploration and artificial intelligence (AI), which sounded like science fiction not so long ago. In addition, several flavors of new memory technologies based on alternate state variables are under development. This is driving unprecedented demand for new materials research and innovation. The unique set of requirements span from new device physics functionality at nanometer dimension scale to ability to cover complex 3D structure with large surface areas. This opens a new era of materials and process development space not seen before in the microelectronics chip industry. A robust strategy is needed to provide a framework in which scientists and engineers can work to reduce the likelihood of the effects of trace elements, molecules or ligands on device and structural performance and assure environmental sustainability. Examples will be used to illustrate the overhead in modeling, analytics, logistics and data management required to be successful.

12:20: [PhysicsMonAM03] OL Plenary
Considerations of Environment and Growth for Sustainable Developement
Sukhmander Singh¹ ; ¹Santa Clara University, Santa Clara, United States;
Paper Id: 248 [Abstract]

Increasing per capita consumptions of resources and resulting pollution, waste and global warming have led to the widespread recognition that we must not deplete and pollute the Ecosystem. The terms such as ‘Sustainability’, ‘Renewability’ and ‘Sustainable Development’ are attracting worldwide attention. Sustainable development is closely tied to economic development needed for the standard of living we have become accustomed to. The question is - can these standards be maintained safely without depleting and polluting the Ecosystem? The paper discusses the need for the development of energy efficient materials, renewable resources such as wind, hydro, hydrothermal and solar technology. Distinctions between’ technology and energy intensive’ production in developed countries and ‘labor intensive’ production in poor and developing countries are made. As such examples of United States, India, Ghana and Nicaragua are cited. It is suggested that decision making for sustainable development be made depending upon the level of development of a country. It is argued that developed countries must recognize limits to their growth and should look for alternate but sustainable resources for obtaining pollution free energy-for example, bio based, solar based and ‘fusion energy’ based. On the other hand, in developing and poor countries where poverty, hunger and poor sanitation exist, both environmentally acceptable and economically accessible solutions must be found for sustainable development. It is suggested that sustainable solutions be achieved by incorporating available material and local labour in developing countries and by using high technology approaches in developed countries. Labour intensive processes can be termed as “production by masses“ versus “mass production” and can as well, be economically sustainable. Developed countries should use high technology approaches to meet their demands by preserving the integrity of the Ecosystem. A schematic model for a country will be presented to help make sustainability decisions.

12:45: [PhysicsMonAM04] OS Plenary
Recovery of Pre-seismic Gas Flow Anomalous Signals at Deep Boreholes as a Proxy for Investigating Tectonic Activity
Hovav Zafrir¹ ; Susana Barbosa² ; Danielle Ilzycer³ ; Gustavo Haquin⁴ ; Noam Weisbrod⁵ ; Zeev Zalevsky⁶ ; ¹Bar Ilan University, Israel, Ramat-Gan, Israel; ²Universidade do Porto Porto Portugal, Porto, Portugal; ³Soreq NRC, Yavne, Israel;, Yavne, Israel; ⁴The Jacob Blaustein Institutes for Desert Research, Sde-Boker, Israel; ⁵Ben-Gurion University of the Negev, Israel, Sde-Boker, Israel; ⁶Faculty of Engineering, Bar Ilan University, Israel, Ramat-Gan, Israel;
Paper Id: 243 [Abstract]

An innovative method based on the capability to measure temporal changes of gas flow such as Rn-222 and CO2 in deep boreholes, led to the clear discovery that both gases are affected by underground activity and could be associated with the regional geodynamic pre-seismic evolution along the Dead Sea Fault Zone (DSFZ) in northern Israel. Long-term monitoring of natural gases in deep boreholes along seismogenic active fault zones, based on passive measuring systems (avoiding pumping and gas circulation that disturb the local equilibrium) enables to eliminate from the acquired time series, the climatic-induced periodic contributions caused by temperature and barometric pressure, and to expose the remaining portion of the signals that may be associated with the underground tectonic preseismic activity. It was highlighted that the radon present in country rock formations as measured by gamma radiation detectors at different depths, is propelled by the surface temperature gradient to flow downward, up to a proven depth of 100 meters, revealing a daily periodicity similar to the diurnal cycle of surface temperature. The gamma detectors at each depth present very sharp, clear, and accurate peaks as a result of a high counting rate and low error, with a specific time lag between each other. It was found that the time lag depends on the downward radon velocity within the bedrock type. The amplitudes of the radon periodic signals are controlled by the intensity of the climatic driving force, in linear dependency with the pressure gradient according to the existing physical model, and with the largest non-linear variations induced by the ambient temperature gradient, that according to the ratio between the radon level in winter to summer, varies by a factor of 3-10 while the temperature varies only within 10% span (280 C change versus an average of 2850 K). Now, monitoring radon at a depth of several dozens of meters, substantially attenuates the climatic contribution and increases the possibility of resolving from the radon temporal spectrum the preseismic radon signals that are not periodic and are independent of the atmospheric driving forces. In parallel, it was observed that CO2, within the internal airspace of a borehole, follows the radon measured by an alpha detector at 40m, as well as the radon temporal variations at the surrounding bedrock measured by gamma detectors up to 88m, and both are driven by the same driving forces. The plausibly preseismic local movement of the two gases at depth is identified by the appearance of discrete, random, non-cyclical signals, wider in time duration than 20 hours and clearly wider than the sum of the width of the periodic diurnal and semidiurnal signals driven by ambient meteorological parameters. These non-cyclical signals may precede, by one day or more, a forthcoming seismic event with magnitude > 4.5. Thus, deep gas monitoring technology may become a useful tool for the investigation of seismic precursors since similarly to radon and CO2, the existence of any natural gas such as nitrogen, oxygen, methane, hydrogen sulfide, carbon monoxide, and helium within deep subsurface media can serve as a proxy for pre-seismic precursory phenomena. Since natural disaster events are relatively rare, and thus it's going to take a very long time to establish statistically the ability of this approach, it seems essential to verify our selected monitoring technology of gas flow in the geological medium, by independent physical methodology, such as latest Tensor Optical Fiber Strainmeter designed and being deployed over the past three years. It will be used as an orthogonal sensing proof of the non-periodic, Physico-chemical parameter variations.

References:
1. Zafrir, H., Barbosa S., Levintal, E., Weisbrod, N., Ben Horin, Y., and Zalevsky, Z., 2020. The impact of temperature, pressure and tectonic driving forces on radon and CO2 flow within the subsurface porous media -a dozen-year research summary. Front. Earth Sci. doi: 10.3389/feart.2020.559298.\n2. Zafrir, H., Barbosa, S.M., Malik, 2013. Differentiation between the Effect of Temperature and Pressure on Radon within the Subsurface Geological Media, Radiation Measurements, 49, 39-56. DOI: 10.1016/j.radmeas.2012.11.019\n3. Zafrir, H., Y. B. Horin, U. Malik, C. Chemo, 2016. Novel determination of radon-222 velocity in deep subsurface rocks, and the feasibility to using radon as an earthquake precursor, Geophysical Research Abstracts Vol. 18, EGU2016-3476, EGU General Assembly 2016.\n4. Zafrir, H., Malik, U., Levintal, E., Weisbrod, N., Ben Horin, Y., Zalevsky, Z. and Inbar, N., 2019. Radon and CO2 in deep, as a proxy for pre-seismic research. 15th International Conference on Gas Geochemistry ICGG15, Palermo & Milazzo, 30 September 5 October 2019. Edited by F. Italiano, C.G. Caruso, and R. Celi. Misc. INGV, 49: 1338. ISSN 1590-2595, 2019.\n5. Levintal, E., Dragila, M. I., Zafrir, H., and Weisbrod, N., 2020. The role of atmospheric condition in CO2 and radon emissions from an abandoned water well. Sci. of The Tot. Environ. 722, 137857. doi.org/10.1016/ j. scitotenv.2020.137857.

SESSION: PhysicsMonPM1-R4	Virk International Symposium (Intl Symp on Physics, Technology & Interdisciplinary Research for Sustainable Development)
Mon. 28 Nov. 2022 / Room: Arcadia 3
Session Chairs: Hovav Zafrir; Session Monitor: TBA

14:00: [PhysicsMonPM105] OL
Earthquake Precursory Studies Using Radon Time Series Data in Taiwan: An Overview
Vivek Walia¹ ; Arvind Kumar² ; ¹National Center for Research on Earthquake Engineering, NARL, Taipei, Taiwan, Taipei, Taiwan; ²National Center for Research on Earthquake Engineering, NARL,, Taipei, Taiwan;
Paper Id: 280 [Abstract]

Earthquakes constitute a severe source of human disasters all around the world. However, one has to note, following the reviews on earthquake prediction, that at the present day no detectable, systematic, and reliable precursory phenomena precede large earthquakes. Indeed, even if some precursory phenomena have been identified after many earthquakes, there are no statistically based reliable data for the recognition of a method based on the search for precursors. The island of Taiwan is a product of the collision between the Philippine Sea Plate and the Eurasian Plate, which makes it a region of high seismicity. Active subduction zones occur south and east of Taiwan. Geochemical anomalies in soil gas and groundwater are commonly observed before the impending earthquake and volcanic eruptions, attracting considerable attention in studies on precursory geochemical signals. Geochemical variations of soil-gas composition in the vicinity of the geologic fault zone of Northeastern and Southwestern parts of Taiwan have been studied in detail recently[1]. To carry out the investigation, temporal soil-gases variations are measured at continuous earthquake monitoring stations established along different faults. In the present study, we correlated observed soil-gas anomalies with some earthquakes magnitude ≥ 5 that occurred in the region during the observation. Data is processed using different kinds of filters to reduce the noise level. It helps us to filter out the high-frequency noise and daily variation caused by different parameters. However, radon anomalies in all cases are not only controlled by seismic activity but also by meteorological parameters which make isolation of earthquake precursory signals complicated. Characteristics of temporal variability of soil-gas radon concentrations have also been examined using Singular Spectrum Analysis [2]. A digital filter has been applied to eliminate the long-term trend in the data that retains variations of less than 30 days. The radon variations exhibit dominant daily variations, which are controlled by atmospheric temperature inducted evaporation in surface water-saturated soil (Capping Effect). The causal relationship is marked by a clear phase lag of 2-3 hours in the sense that the peak in a daily variation of radon succeeds the peak in temperature. Aperiodic variations in soil radon intensity in the range of 2-10 days are negatively correlated with temperature whereas positively correlated with pressure [3]. To integrate our data with our working procedure, we use the popular and famous open source web application solution, AMP (Apache, MySQL, and PHP), creating a website that could effectively show and help us manage the real-time database [4]. Based on the anomalous signatures from particular monitoring stations we are in a state to identify the area for impending earthquakes for the proposed tectonic-based model for earthquake forecasting in Taiwan.

References:
[1] C-C. Fu, T-F. Yang, M-C. Tsai, L-C. Lee, T-K. Liu, V. Walia, C-H. Chen, W-Y. Chang, A. Kumar, T-H. Lai , Chem. Geol. 149 (2017) 64-77.
[2] A. Kumar, V. Walia, B.R. Arora, T-F. Yang, S-J. Lin, C-C. Fu, C-H. Chen, K-L. Wen, Nat. Hazards 79-1 (2015) 317-330.
[3] B.R. Arora, A. Kumar, V. Walia, T-F. Yang, C-C. Fu, T-K. Liu, K-L. Wen, C-H. Chen, J Asian Earth Sci. 149 (2017) 49-63.
[4] A. Kumar, V. Walia, S-J. Lin, C-C. Fu, Nat. Hazards 104-2 (2020), 159-1369.

14:25: [PhysicsMonPM106] OL
Nobel Laureate Peter Kapitza
Bhadra Tuladhar¹ ; ¹Kathmandu University, Kavre, Nepal;
Paper Id: 314 [Abstract]

Russian Physicist Peter Kapitza (1894-1984) was the young scientists attracted to work with Ernest Rutherford and gained a doctorate in Physics in July 1923 from Cambridge. He graduated from Petrograd Polytechnical Institute in 1919 and was awarded the degree of Engineer-Electrician. The Physico-mechanics faculty of the Institute was at that time headed by Abram Fedorovich Joffe. In Cambridge, Kapitza started Physics Seminar from 1922 which was later named as “Kapitza Club”. In 1930, chemist and industrialist Ludwig Mond donated the required fund to London Royal Society for the construction of a specialized laboratory exclusively for research work of Kapitza. He lived and work in Cambridge till 1934. In 1935, Kapitza created The Institute for Physical Problems in Moscow and worked as its director. He was awarded the Nobel Prize in Physics in 1978. He the died on April 8, 1984 in Moscow. I will talk about the family tragedy of December 1919, the work and stay in Cambridge, work in Moscow, quotes from the Nobel speech, my several visit to him in Moscow and finally, the Kapitza Memorial Museum in Moscow.

References:
[1] P. L. Kapitza, Experiment Theory Practical, Moscow, 1979 (in Russian)
[2] Peter Leonidovich Kapitza, Memories Letters Documents, Russian Academy of Science, 1994 (in Russian)

14:50: [PhysicsMonPM107] OL
Solvent Dependent Morphological and Photo-catalytic behaviour of CuS Nanostructures
Amanjot Kaur¹ ; Karamjit Singh¹ ; ¹Punjabi University, Patiala (India), Patiala, India;
Paper Id: 255 [Abstract]

Semiconductor nanostructures due to their size tunable photo-physical and photo-chemical behaviour have attracted great interest. CuS nanostructures (NSs) have been synthesized by facile chemical co-precipitation technique in variable solvent media concentrations of water: ethylene glycol (100:0; 75:25; 50:50; 25:75; 0:100). Crystallographic and morphological studies carried with X-ray diffraction (XRD) and High Resolution Transmission Electron Microscope (HR-TEM), respectively; reveal the formation of highly crystalline wurtzite structured CuS nanostructures having spherical morphology. It has been observed from the recorded diffractograms and micrographs that the average crystallite size, particle size and particle size distribution strongly depend on the solvent concentrtaion in variable solvent media. Average crystallite size values calculated for CuS nanostructures synthesized in variable solvent media are 6.62 nm, 8.04 nm, 7.93 nm, 6.64 nm and 6.62 nm for water: ethylene glycol concentration ratios of 100:0; 75:25; 50:50; 25:75 and 0:100, respectively. Morphological studies indicate that monodispersity in the particle size augments with increasing concentration of ethylene glycol. Pristine ethylene glycol solvent gives highly monodisperse nanospheres, whereas pristine aqueous solvent media causes the formation of heterogenous size distribution in synthesized CuS nanostructures. UV-Visible absorption spectra have been recorded to find the optical band gap values of the synthesized NSs. Calculated optical band gap values of NSs synthesized in variable solvent media are 2.29 eV, 2.18 eV, 2.28 eV, 2.33 eV and 2.39 eV for water: ethylene glycol concentration ratios of 100:0; 75:25; 50:50; 25:75 and 0:100, respectively. Photo-catalytic activity potential of synthesized NSs has been tested in aqueous media by the detoxification of test contaminant; methylene blue (MB) dye under visible light irradiation. Recorded results reveal that the synthesized nanostructures have excellent photo-catalytic activity, which strongly depends on the nanostructure morphology.

15:15: [PhysicsMonPM108] OL
Synthesis and Characterizations of Neodymium Doped Alumino-Phosphate Glasses for IR Lasers
Jaswinder Singh¹ ;⁰ ; Tejbir Singh² ; ¹Department of Physics, Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab, Punjab, India; ², Punjab, India;
Paper Id: 534 [Abstract]

A series of Nd3+- doped heavy metal oxide alumino-phosphate glass samples were synthesized by melt quenching technique. The samples were studied for their luminescent and radiative properties. UV-Visible absorption spectra show nine absorption bands owing to transitions from 4I9/2 of Nd3+-ion to 2I11/2+4D3/2+4D1/2 (356nm), 4G9/2 ( 511nm), 4G7/2 (525nm), 4G5/2+2G7/2 (582nm), 2H11/2 ( 627nm), 4F9/2 (683nm), 4S3/2+4F7/2 (746nm), 4F5/2+2H9/2 (803nm) and 4F3/2 (874nm). It has been observed that Judd-Ofelt parameters are influenced by local structure of rare-earth ions. An intense emission band observed at 1044 nm on exciting the samples at  = 808 nm has been assigned to transition 4F3/2→4I11/2. Large values of transition probability, high branching ratio and high stimulated cross-section of this transition indicates its potential use in IR lasers.

SESSION: PhysicsMonPM2-R4	Virk International Symposium (Intl Symp on Physics, Technology & Interdisciplinary Research for Sustainable Development)
Mon. 28 Nov. 2022 / Room: Arcadia 3
Session Chairs: Hardev Singh Virk; Session Monitor: TBA

15:55: [PhysicsMonPM209] OS Invited
Ion Irradiation of Polymer Metal Composite for Electrical and Structural Engineering Applications
N.l. Singh¹ ; Dolly Singh¹ ; Anjum Qureshi² ; ¹M. S. University of Baroda, Vadodara, India; ²Sabanci University, Istanbul, Turkey;
Paper Id: 240 [Abstract]

Polymers such polyvinyl chloride (PVC) filled with metal has attracted much attention because it combines advantages of insulation polymer and conductive metals for a variety of industrial applications such as electrical and electronic for electrical insulation, flame retardants and sheathings of cables and devices, construction materials as plastisol in flooring, roofing, panels, vehicle and in the medical field for prostheses materials for transtibial amputations. In applied industrial applications, the efficient modification of the electrical and physicochemical polymer composite materials is essential to achieve desired functionalities. In this study, swift heavy ion irradiation with 140 MeV Ag-ions was used to modify and tailor the dielectric, structural and thermal properties of polymer composite based on PVC filled with conductive aluminum metal (10-40%). The ion irradiation of PVC/Al composite was modified by manipulating the parameters such as fluence and concentration of Al in polymer composite. The influence of fluence of ion irradiation on PVC polymer composite tailored the dielectric properties by intentional doping of metal ions by inducing defects due to polymeric chain crosslinking and scissoring and charge hopping conduction mechanism. The modified PVC/Al polymeric composite possess improved electrical properties that mainly include dielectric constant, dielectric loss and AC electrical conductivity. Ag ion beam tailored features in PVC composite have been realized by improved crystalline structure in the XRD profile and thermal stability at low fluence of ion irradiation (1x1011 ions cm-2), which are unprecedented in pristine ones. Energetic Ag ion beams implemented agglomeration of doped metal particles in the SEM surface morphology or layer-to-layer structural engineering of PVC/Al surface and create a conductive metal network inside the polymeric structure. Promising applications based on polymeric metal composite materials with ion beam tailored features have the potential to apply them in a broad range of electrical and electronics, transportation, and medical fields.

References:
(1) NL Singh, S Shah, A Qureshi, A Tripathi, F Singh, DK Avasthi, PM Raole, Bulletin of Materials Science 34 ( 2011) 81-88.
(2) A Qureshi, D Singh, NL Singh, S Ataoglu, AN Gulluoglu, A Tripathi, DK Avasthi Nuclear Instruments and Methods in Physics Research Section B: 267 ( 2009) 3456-3460.
(3) D Singh, NL Singh, P Kulriya, A Tripathi, DM Phase, Journal of Composite Materials 44(2010) 3165-3178.

16:20: [PhysicsMonPM210] OL
Structural Analysis And Shielding Parameters Of NaSrB : Eu3+ Glass System
Supreet Pal Singh¹ ; Dinesh Kumar¹ ; ¹Punjabi University Patiala, Patiala, India;
Paper Id: 258 [Abstract]

Eu3+ doped borate glass matrix was prepared by conventional melt quenching technique. For this glass system some physical parameters such as Density (ρ), Molar volume (Vm), Oxygen packing density (O), Ion concentration (N), polaron radius rp(Å) have been calculated and their variation with rare-earth is studied. To check the radiation shielding ability of the prepared glass system, shielding parameters were calculated in the energy range 0.001 MeV to 0.5 MeV. The calculated parameters were analyzed on the basis of doping concentration and energy. The structure of the prepared glasses has been analyzed with the help of X-ray diffraction (XRD) and Fourier transform infrared (FT-IR) spectroscopy. The conversion of BO3 → BO4 and back conversion is observed and for more insight about the structure, the FT-IR spectrum has been deconvoluted. The band gap (Eg) was obtained with the help of Kubelka-Munk (K-M or F(R)) function.

16:45: [PhysicsMonPM211] OL
Recent Developments in SSNTDs for the Accurate Assessment of Natural Radioactive Contamination Levels in Environs for the Assessment of Health Risks
Rohit Mehra¹ ; ¹Dr B R Ambedkar National Institute of Technology, Jalandhar, Jalandhar, India;
Paper Id: 540 [Abstract]

Solid State Nuclear Track Detectors have existed on earth, moon and other solidified species (e.g. meteorites) due to cooling down of insulation material in space in the form of minerals (mica, quartz, etc.). Passive radon monitoring using SSNTDs was initiated by three American scientists namely, R. L. Fleisher , R. M. Walker and P. B. Price [1, 2] and ultimately, patented by Becker [3, 4]. Typical organic materials used for radon dosimetry are made of bisphenol-A polycarbonate (Lexan, Makrofol), cellulose nitrate (LR-115, CN-85) and polyallyl di-glycol carbonate (PADC or CR-39). Bare mode Single cup diffusion chamber and Twin cup dosimeters for estimation of indoor 222Rn/220Rn concentrations have become obsolete today owing to their several drawbacks such as unwanted interferences from progeny, atmospheric turbulence effects and negative 220Rn concentrations. To overcome these technical limitations, a new pin-hole based 222Rn/220Rn discriminating dosimeter with single entry face was designed by Sahoo et al. [5]. It is one of the most versatile devices in mixed field environment of 222Rn and 220Rn. Numerous dosimetric, radiobiological and epidemiological studies have been carried out by many researchers to establish guideline values for various radionuclides, identify regions of concern develop biokinetic models, and project national baseline values. This study summarizes some important studies conducted in India by our group at NIT Jalandhar. Keeping toxic nature of uranium in mind, a survey of groundwater consumed by inhabitants is also conducted. A comprehensive analysis of uranium burden in a human adult is done by determining natural uranium concentration. The annual effective doses are computed both age-wise and organ-wise. Internal organ/tissue doses give an insight of radioactive targets which may act as bio-indicators of uranium toxicity in human body. The transfer coefficients of different body organs are calculated using hair compartment model of uranium and compared with those obtained using ICRP’s biokinetic model [6]. The results of the study not only fulfil an environmental cause but also, a social cause to identify regions of concern, regions of negligible uranium concentrations and those for which data is currently unavailable, but nevertheless, may become prospective uranium sites and should be investigated.

References:
[1] Fleischer RL, Price PB, Walker RM, The Ion Explosion Spike Mechanism for Formation of Charged Particle Tracks in Solids: Journal of Applied Physics, 36 (1965b) 3645-3652
[2] Fleischer RL, Price PB, Walker RM, Nuclear Tracks in Solids: Principles and Applications (1975): University of California Press Berkeley.
[3] Becker KH, Alpha particle registration in plastics and its applications for radon and neutron personal dosimetry: Health Physics 16 (1969). 113-123.
[4] Becker KH, Personal radon monitor (1970): U.S. Patent, 3: 505-523.
[5] Sahoo et al., A new pin-hole discriminated 222Rn/220Rn passive measurement device with single entry face: Radiation Measurements.58 (2013) 52-60.
[6] Jakhu R, Mehra R, Mittal HM, Exposure assessment of natural uranium from drinking water: Environmental Science: Processes and Impacts (2016), 18(12) 1540-1549.

17:10: [PhysicsMonPM212] OS
FAKE MEASUREMENTS YIELDING REAL COLLAPSES
María Esther Burgos¹ ; ¹, Buenos Aires, Argentina;
Paper Id: 352 [Abstract]

Orthodox Quantum Mechanics (OQM) deals with two kinds of processes: spontaneous processes, governed by the Schrödinger equation; and measurement processes, ruled by the Projection Postulate. In spontaneous processes the state vector of the system evolves in a continuous way according to a deterministic law, the superposition principle applies, actions are local and conservation laws are strictly valid. By contrast, in measurement processes the state vector may collapse in a discontinuous way, with probabilities not ruled by deterministic laws, superpositions break down, a kind of action-at-a-distance results and conservation laws are not strictly valid but have only statistical sense. The inclusion in OQM of two laws irreducible to one another is at the very heart of the quantum measurement problem.[1] It is agreed that measurements in quantum mechanics require either the intervention of an observer, or the interaction of the quantum system with a measuring device (according to some authors every classical object), which introduces an unpredictable and uncontrollable perturbation of the spontaneous, natural evolution of the state of the system. Transitions between stationary states (TBSS) induced by a time-dependent perturbation involve measurements [2,3]. Hence a similar (not identical) measurement problem to the traditional just described arises [3]; in particular, in both cases the Schrödinger evolution breaks down. If every photon absorbed or emitted by an atom involves one of such TBSS, there should be billions of observers and/or measuring devices at every small corner of the universe where these processes take place. Nevertheless, there is no evidence of their existence other than transitions between stationary states do occur. While there is ample reference to the traditional measurement problem, measurements related to TBSS are conspicuously absent from the specialized literature on the subject, with few exceptions. We face this conundrum by assuming that measurements related to TBSS are fake measurement. By contrast, TBSS are real for they are not the result of fake measurement, but of the tendency of quantum systems to jump to preferential states. These ideas are fundamental to our Spontaneous Projection Approach [4]. In the present paper we sum up this approach and illustrate how it works when applied to two paradigmatic cases: the spontaneous decay of a radioactive element and the ideal measurement scheme of quantum mechanics. A method to test our approach by experiment is suggested.

References:
[1] M.E. Burgos, Foundations of Physics 28 (1998) 1323-1346.
https://doi.org/10.1023/A:1018826910348
[2] P.A.M. Dirac, The Principles of Quantum Mechanics, Clarendon Press, Oxford (1930), 46–47 and 172–173.
[3] M.E. Burgos, in: P. Bracken, Ed., Quantum Mechanics, INTECH, Croatia (2020).
http://dx.doi.org/10.5772/intechopen.91810
[4] M.E. Burgos, Journal of Modern Physics 9 (2018) 1697-1711.
https://doi.org/10.4236/jmp.2018.98106

SESSION: PhysicsMonPM3-R4	Virk International Symposium (Intl Symp on Physics, Technology & Interdisciplinary Research for Sustainable Development)
Mon. 28 Nov. 2022 / Room: Arcadia 3
Session Chairs: Hardev Singh Virk; Session Monitor: TBA

17:50: [PhysicsMonPM313] OL
Distribution of uranium and fluoride and their relationship with hydrogeochemical processes in groundwater of Muktsar, Punjab, India
Prafulla Kumar Sahoo¹ ; Hardev Singh Virk² ; Umakant Chaudhari³ ; ¹1Department of Environmental Science and Technology, Central University of Punjab, V.P.O. Ghudda, 151401 Bathinda, India, Punjab, India; ²SGGS World University Fatehgarh Sahib, SURREY, India; ³Central University of Punjab, V.P.O. Ghudda, 151401 Bathinda, India, Punjab, India;
Paper Id: 533 [Abstract]

Muktsar district of southwest Punjab (India) has gained significant attention due to elevated levels of different groundwater contaminants such as fluoride and uranium. A total of 38 groundwater samples were collected in 2022 and analyzed for physico-chemical parameters, major cations and anions and potentially toxic elements (PTEs), especially fluoride (F-) and uranium (U). Fluoride concentration ranged from 0.3 to 9.8 mg/L, with 60 % of samples exceeded the World Health Organization (WHO) limit (1.5 mg/L), and U ranges from 14.9 to 456.6 µg/L, with 95% samples exceeded the WHO limit (30 µg/L). Sodium and Mg are major cations whereas sulfate (SO42-), and chloride (Cl-) are major anions in this area. Spearman Correlation analysis showed a strong positive correlation of U with F-, TDS, and bicarbonate (HCO3-) concentration in groundwater. Source identification of PTEs in groundwater was identified by applying multivariate statistical analysis such as principal component analysis (PCA) and cluster analysis (CA). This indicates that groundwater contamination of U and F- in this region is due to geogenic as well anthropogenic sources. Elevated level of this contamination along with high salinity makes this groundwater unfit for drinking and agriculture purpose.

18:15: [PhysicsMonPM314] OS
Radiation Physics for Sustainable Development
Devinder Pal Singh¹ ; ¹Acoustics Research Center, Mississauga, Canada;
Paper Id: 543 [Abstract]

Radiation Physics is making crucial contributions in many areas of the environment and industry for sustainable development. Radiation technology is being used to enhance the quality of life and to make industries cleaner and safer. Three effective methods are being used for industrial operations for instance: 1. Radiotracer and sealed source techniques to monitor industrial processes and containers. 2. Radiation processing/treatment. 3. Industrial gamma tomography and radiography. Radiation processing applying gamma sources is a well-established technology, with about 160 gamma industrial irradiators worldwide. The main aim of this technology is the development of new materials, especially for environmental protection, healthcare, and advanced products (e.g. biotechnology, solar energy systems, etc.). The role of the International Atomic Energy Agency in its development and transfer is worth appreciation. With the efforts of the IAEA, several radiation processing centres have been established in Malaysia, Egypt, Iran, Poland, Brazil, and Hungary. Industrial radiotracer and gamma source techniques are widely used to analyze industrial process systems. These techniques are critical in online monitoring, improved productivity, and process parameter optimization. In many industrial multiphase flow systems, Gamma tomography is being used as a complementary technology for optimizing industrial process design and operation. New development work for preparing radiotracers for harsh industrial conditions is under progress. Multi-tracer applications for on-shore and off-shore oil field characterization are under development. Digital Industrial Radiography testing has become a method of choice for online NDT inspection.

SESSION: LawsTueAM-R4	Nolan International Symposium (2nd Intl Symp on Laws & their Applications for Sustainable Development)
Tue. 29 Nov. 2022 / Room: Arcadia 3
Session Chairs: Malcolm McNeil; Session Monitor: TBA

11:30: [LawsTueAM01] OS Plenary
Sustainability and Free Trade: What is the right Path?
Mathew Nolan¹ ; ¹ARENTFOX SCHIFF LLP, Washington, United States;
Paper Id: 454 [Abstract]

On its face, free trade would appear to foster sustainable development as free trade optimizes the use of limited resources for the greatest gains in overall social welfare. The picture, however, is far more complicated. Free trade can be disruptive to local economies, by disturbing existing industries and employment in sectors that face foreign competition. As countries develop new more efficient industries they challenge existing industries and cause disruption in those markets. In addition, national governments have basic obligations to provide food, jobs, maintain health and a clean environment, and promote local industries which may conflict with free trade principles as they may choose protect threatened industries or reduce trade in products for other reasons like climate change. The discussion of free and fair trade often enters the lexicon, as well as the need to protect local agriculture and industry so a country can feed and employ its people. Some countries abuse trade by subsidizing industries they wish to promote as export platforms and thereby distorting resource allocations. Of course “fair trade” is also sometimes misused as a tool to shield local industry from foreign competition. WTO rules designed to correct predatory pricing like antidumping, countervailing duty, and safeguards regimes may be abused as a backdoor means of permitting protectionist policies to limit trade. In some cases the balance of political forces requires forms of “managed” trade in sensitive sectors. Finally, while regional trade agreements promote trade, the trade is limited to those inside the free trade arrangement. These issues have come to define in part the “antiglobalization” movement and the trend toward “onshoring” production of critical industries. In this session we will explore these issues and ask the question: what is the right balance for countries to promote free trade while ensuring sustainability in the local economy?

References:
“The Case for Free Trade”, CATO Institute May 2, 2019
“Globalization in transition: The future of trade and value chains”, McKinsey& Company 2019
“Trade and Globalization”, the World Bank
“Fair Trade, the Challenges of transforming globalization”, Edited by Laura Raynolds, Douglas L. Murray, and John Wilkinson, Routledge, 2007

11:55: [LawsTueAM02] OL Plenary
Steps to Consider During Company Restructuring in Canada, The European Union, and the UK in the Light of the &amp;quot;Capability Approach&amp;quot;
Migen Dibra¹ ; ¹Migen Dibra, Doctor of Law and Attorney in research and legislation, Montreal, Canada;
Paper Id: 449 [Abstract]

The current economic context of Globalization and COVID restrictions is marked by a growing number of companies restructuring and an increased unemployment rate resulting from company closures and downsizing. Therefore, it seems important to address the employee issue of job security and the need to reduce the negative impacts that some restructuring processes have on business and employees. One of the solutions in this regard is to ensure that employees are heard during the restructuring process. Since the Canadian legal framework on the subject offers insufficient protections, the goal of this article is to find solutions to strengthen the existing framework and to find possibilities for adopting other legal information and consultation procedures applicable to company restructuring in general in Canada. To this end, the author is interested in whether a process of information and consultation of workers in restructuring matters involving collective redundancies, similar to what exists in the European Union is possible at the federal level in Canada and the province of Quebec in light of the Capability for voice. As a theoretical framework, we have applied the «capability for voice», developed by Amartya Sen, which provides a method of assessing the impact and relevance of laws that recognize extended participation rights to employees regarding company economic decisions. In doing so, our work assesses the extent that the Canadian Laws and collective agreements, related to the subject matter under study, meet the four criteria of the «capability for voice», which are prerequisites to pass from the involvement stage of the employees in company decisions to their real influence on such issues. The author has also used the method of comparative law, to compare and find the best examples, on the matter at study, among various Canadian legislations. In the previous published articles the author has dealt with the employee participation rights and the «Capability for voice» in British Law and the European Union directives. In this article the author concentrates on the Canadien legal framework and the collective agreements on the subject in order to demonstrate that the protections offered by the Canadian federal Laws and the provincial laws and collective agreements on the subject are relatively weak and offer inadequate protections. In addition, by applying the «Capability for voice» we have drawn some important lessons to strengthen the existing Canadian legal framework of employee participation rights and consider a new, comprehensive framework that will apply to all types of restructuring and not only to collective redundancies and technological changes. Given that Canada is somehow interventionist in some regards to the determination of labor standards, it seems that it is possible to have a better legal framework for employee participation in Canada taking into consideration the suggestions that we have made in strengthening the «capability for voice». This work is part of the author’s Ph.D. thesis conducted at the Faculty of Law of the University of Montreal, Canada and it constitutes the first in-depth study on the right of employees to participate in restructuring, which compares and applies the analytical framework of the «capability for voice» to all Canadian federal laws, provincial laws and some collective agreements as well as all the European Directives and UK laws on the matter.

References:
1. Migen Dibra, Le droit de participation des salariés canadiens lors des restructurations d'entreprises Une étude de droit comparé : Québec, cadre juridique fédéral canadien, Union européenne, Royaume-Un : Le cadre législatif britannique comme source d'inspiration pour le Canada, Doctoral Thesis, Montreal, Faculty of Law, University of Montreal, 2016.

2. Migen Dibra ‘‘Le droit de participation des salariés lors des restructurations: des leçons apprises par la capacité de pouvoir s’exprimer en droit européen’’ (2019) R.J.T. 52 (1) : 1.

3. DIBRA, Migen, « Employee Participation Rights During Company Restructuring: Lessons Learned from the “Capability for Voice” in British Law » (2021) 51:1 RGD 245-292

4. The Guardian, (June 29, 2020), online : <https://www.theguardian.pe.ca/business/reuters/airbus-ceo-sees-production-down-40-over-the-next-two-years-467253/>.

5. Patrice Jalette “Les restructurations d’entreprise au Québec 2003-2010 : Ampleur, nature et logiques’’ in Patrice Jalette & Linda Rouleau, eds, Perspectives multidimensionnelles sur les restructurations, Collection Travail et emploi à l’ère de la mondialisation (Québec : Presses de l’Université Laval, 2014 : 13), p. 23, p. 22-23.

6. The Guardian (1st July 2020), online: < https://www.theguardian.com/business/2020/jul/01/most-ryanair-job-losses-can-be-avoided-if-staff-take-pay-cut-says-michael-oleary#:~:text=“Pilots%20have%20agreed%20to%20accept,aim%20to%20protect%20those%20too.>.\n

7. Canada Labour Code, L.R.C. (1985), ch. L-2, art. 51 à 55\n7.

8. Act Respecting Labour Standards CQLR c N-1.1.

9. Catherine Barnard, EC Employment Law, 2e ed. (New York: Oxford University Press, 2000) p. 510 – 513.

10. Jacques Vandamme, L’information et la consultation des travailleurs dans les entreprises multinationales, coll. de l’Institut de recherche et d’information sur les multinationales (Genève: IRM, 1984) p. 28-30.

11. Manfred Löwisch, “ Job Safeguarding as an Object of the Rights of Information, Consultation, and Co-Determination in European and German Law” (2005) 26-3, Comparative Labor Law & Policy Journal, p. 371- 374.

12. Michel Coutu, ‘‘ Licenciements collectifs et fermetures d’entreprise au Québec : un cas d’absentéisme juridique ?’’ (2007) 109 Travail et emploi 39, p 39-49.

13. Roger Blanpain, Systems of Employee Representation at the Enterprise: A Comparative Study (Croydon Wolters Kluwer, 2012), p. 181.

14. Jean-Michel Bonvin, “Individual working lives and collective action. An introduction to capability for work and capability for voice”, (2012), 18, Transfer, p. 9-10.

12:20: [LawsTueAM03] OS Plenary
Common versus Civil Law Systems and Appointed versus Elected Judicial Systems: Advantages and Disadvantages
Florian Kongoli¹ ; ¹FLOGEN Star OUTREACH, Montreal, Canada;
Paper Id: 555 [Abstract]

Judicial systems around the world may be divided in two major groups: common and civil law system. Common Law systems are mainly used in UK, USA, Canada and the civil law systems are used in Europe and other countries. There are also countries or states/provinces that have mix systems like Quebec where criminal matters use mainly common law system and civil matters use civil law systems and in manty cases both methods of both systems are used interchangeably. A somewhat indirect product of the systems is the way that the judges are appointed or elected. In this paper a comparative analysis of both systems and their elected or appointed judges is carried out with all his advantaged and disadvantages.

12:45: [LawsTueAM04] OS Plenary
Competition Law in a Sustainable and Digital Economy
Barbora Jedlickova¹ ; ¹TC Beirne School of Law, St Lucia, Australia;
Paper Id: 389 [Abstract]

Fair and free competition in the market enhances economic welfare and ultimately consumer welfare. Competition law, then, creates market conditions that promote fair play and thus creates a situation whereby the most creative competitors with the best efficiencies are rewarded with the best profits. The current digital age, combined with the increasing focus on sustainability, have introduced many challenges for competition law and its policy, and have disturbed established approaches to competition law across the globe. This situation has led to international and national discussions, which have resulted in some jurisdictions, such as the EU, introducing first new laws and policies. Other jurisdictions, such as Australia, are still considering the best way to address the digital-age challenges for competition law. However, this ongoing introduction of new laws and policies specifically adapted for competition law in the digital market is not sustainable, in particular because the digital world is highly innovative and is evolving at extreme speeds. This article addresses the term ‘sustainability’ from two perspectives, marrying the two perspectives together: first, the sustainability of the law, in particular of competition law; second, sustainability as the central notion in the United Nations’ 2030 Agenda for Sustainable Development and its 17 goals. In this article, I start by exploring how competition law can support the United Nations’ 2030 Agenda for Sustainable Development using a teleological approach by analysing competition law’s objective(s) and its role in connection with the Sustainable Development goals. Once I outline the exact synergies, I put them in the context of some of the challenges that competition law faces in the digital age. I then discuss the sustainability for competition law in the digital economy. In that regard, I put forward arguments for maintaining the status quo of the general competition-law rules. I explain that for competition law to be sustainable and to enhance the particular UN Sustainable Development goals, it is the interpretation of competition law, as well as its policies and approaches, that need to be adjusted, rather than the general competition-law rules. This article stands on qualitative research, utilising, doctrinal, economic-legal, historic-legal, comparative and jurisprudential methods.

References:
•United Nations, ‘Sustainable Development Goals’, available at <https://sdgs.un.org/goals>.
•Organisation for Economic Co-operation and Development, ‘Sustainability and competition’, available at <https://www.oecd.org/daf/competition/sustainability-and-competition.htm>.
•A. Ezrachi & M. E. Stucke, Virtual Competition - The Promise and Perils of the Algorithm Driven Economy (Harvard University Press 2016).
•Barbora Jedlickova, ‘Digital Polyopoly’ (2019) 42(3) World Competition, 309.
•Barbora Jedlickova, ‘Beyond the Economic Approach: Why Pluralism is Important in Competition Law’ (2018) 37(1) UQLJ, 41.

SESSION: LawsTuePM1-R4	Nolan International Symposium (2nd Intl Symp on Laws & their Applications for Sustainable Development)
Tue. 29 Nov. 2022 / Room: Arcadia 3
Session Chairs: Daniel Shanley; Session Monitor: TBA

14:00: [LawsTuePM105] OS Plenary
International Bribery and Corruption, Impacts on Sustainability and International Commerce
Mathew Nolan¹ ; ¹ARENTFOX SCHIFF LLP, Washington, United States;
Paper Id: 455 [Abstract]

Much has been written over the past decades on the deleterious effects bribery and corruption have on economic development and sustainability. . It comes by many names: bribery, kickbacks, grease, soborno, baksheesh, rusvet, mordida, just to name a few. But regardless of the moniker, the impact is usually the same. Whether it concerns provision of basic public services like electricity, public health, or water, to lost revenue from tax dodgers, to individual firms getting preference on sales or service contracts, bribery often acts as a deadweight loss to social welfare and inhibits growth and often sustainability goals. Even humanitarian aid is not immune. But it is part of the fabric of many countries, despite laws enacted and aggressive international efforts to combat it. In some countries it is viewed as necessary to “get things done” when dealing with underpaid public servants, or as a way to facilitate otherwise valid transactions. But when does a transaction cross over from “facilitating” to “debilitating” for an economy, and do such payments ever really advance sustainability objectives? And, are current laws effective in combatting corruption or is more work needed to maximize growth prospects for developing and developed economies? We will examine these questions and consider impacts of corruption, current anticorruption efforts and the realities of the current global environment.

References:
“Is corruption efficiency-enhancing? A case study on nine Central and Eastern European countries”, E. Gamberoni, C. Gartner, C. Giordano and P. Lopez Garcia,Europena Central Bank Working Paper Series No. 1950, August 2016

“Why corruption matters:understanding causes effects and how to address them”, UK AID Deprtment of International Development January 2015

Issue Paper on Corruption and Economic Growth”, OECD Issues Paper, 2013 G20 Leaders Summit, St. Petersburg, Russia

International Corruption, Paul Cohen and Arthur Marriott QC, 2010

“Corruption and Inefficiency: Theory and Evidence from Electric Utilities”, Ernesto Dal Bo and Martin A. Rossi, Journal of Public Economics, June 2007.

Good Intentions Corrupted: The Oil- for-Food Scandal and the Threat to the U.N., Jeffrey Mayer and Mark Califano, 2006.

14:25: [LawsTuePM106] OS Plenary
Trends in patents by technology, international filing strategies, hot topics in US law
Daniel Shanley¹ ; ¹Hunton Andrews Kurth LLP, Chevy Chase, United States;
Paper Id: 498 [Abstract]

The first part of the presentation will take a look at a statistical analysis of the worldwide filings of patents by technology area, emerging trends, and filings by country. The second part of the presentation will take a look at international or foreign filing strategies including key markets of interest to certain businesses, what filing routes to select and how to balance time, disclosure, and cost issues. The third part of the presentation will focus on a recap of hot topics in US patent law for 2022 and predictions for 2023 impacting various industries.

14:50: [LawsTuePM107] OS Plenary
The Kingdom of Thailand's Model Production Sharing Contract
Joseph Tomkiewicz¹ ; ¹Tilleke & Gibbins, Bangkok, Thailand;
Paper Id: 154 [Abstract]

We will provide a legal overview of Thailand’s Model Production Sharing Contract and high light several provisions. Any additional time will be dedicated to better understand COVID impacts and the force majeure clause, its meaning and possible uses throughout Asia. This legal overview is timely and relevant as Thailand prepares for the next offshore bid round for oil and gas blocks, this time featuring a production sharing contract and not its standard concession agreement. We will also offer the Model Form Production Sharing Contract as issued for the Department of Mineral Fuels for the Ministry of Energy in the Kingdom of Thailand.

15:15: [LawsTuePM108] OS Plenary
The Law and Governance in Golf Courses
Edna Selloriquez Pana¹ ; ¹, Manila, Philippines;
Paper Id: 496 [Abstract]

There are more than 32,000 golf courses worldwide, with a rate of development increasing annually, along with their adverse impacts on the environment. And for the last 20 years, the world has seen a considerable proliferation of golf courses in Asia owing to sustained economic growth in the region. Moreover, golf has become the preferred sport amongst Asians nowadays and many governments have adopted “golf tourism” as national policy to spur economic growth. The Philippines, for instance, boasts of seventyeight golf clubs compared with just 20 courses from two decades ago. Thailand has 222 courses, Viet Nam is hurriedly catching up with twenty-eight and Singapore has eighteen golf clubs with twenty-six courses. These figures are increasing steadily at an average rate of two new courses being constructed annually. Most of these golf courses are considered “traditional” or conventional, because they pursue a particular mode of construction and management, i.e. prodigious use of chemicals, water, white sand or pebbles, and hybrid turf grasses - not only to ensure the playing quality of the surface but also aesthetically to enhance the greens and a substantial portion of the golf course (tees, fairways). Moreover, most courses are built either on pristine or un-spoilt lands, hilly plains and mountainous areas for breathtaking landscapes and challenging games. During the construction and landscaping stage, the earth-moving activities generally destroy topsoil, re-direct riverine and wild life habitats, as well as damage ecosystems. But mostly, golf courses have converted vast tracts of agricultural lands, particularly paddy fields, which bring trepidations about food security in the region. Significantly, the “traditional” or conventional method of construction and operation of golf courses is causing adverse environmental, health, social and economic impacts. Firstly, golf courses require vast tracks of land for the construction of complexes. These lands could either be agricultural, hilly or mountainous areas, reclaimed marine or coastal areas, or mostly state lands. Secondly, golf courses use large quantities of chemicals, which are highly toxic and can also bio-accumulate in organisms. Chemicals also pose risks to people exposed to them. Thus, there is a need to regulate the use of these chemicals (fertilizers, pesticides, herbicides, fungicides and coagulants). The problem is exacerbated in developing countries, where government policies encourage agro-chemical use as chemicals are seen as production enhancers – similarly, substantial chemical application has become the popular “culture” in turf grass management in golf courses.

SESSION: LawsTuePM2-R4	Nolan International Symposium (2nd Intl Symp on Laws & their Applications for Sustainable Development)
Tue. 29 Nov. 2022 / Room: Arcadia 3
Session Chairs: Mathew Nolan; Session Monitor: TBA

15:55: [LawsTuePM209] OS Plenary
The Methane and the Blue Ocean Event-two disruptive worldwide phenomena
Giovanni Era¹ ; ¹ZPF-Zero Pollution Fuel Association (not-for-profit), Bari, Italy;
Paper Id: 473 [Abstract]

The last three years has been characterized by two phenomena: (1) an increase of CH4 percentage in the air, in addition to the increase of the so called standard GHGs such as the CO2 and N2O and (2) the lowering ice thickness of the Arctic Sea Ice. Based on an analysis of the available public data, the consequences of these two phenomena are reviewed, their risk analysed in social and legal aspects, and solutions are proposed.

References:
1) Peter Carter on Twitter Sep 12, 2022 based on US Global Monitoring Laboratory - NOAA
(2) Giovanni Era on Twitter Feb 20,2021 based on US Global Monitoring Laboratory - NOAA ;
(3) Sam Carana " CH4 GWP"graph
(4) Sam Carana "Arctic News : Blu Ocean Event 2022 ?"
(5) Sam Carana "SST on Northern Hemisphere" graph based on NOAA Data till 2022

16:20: [LawsTuePM210] OS Plenary
10 main problems of the world
Giovanni Era¹ ; ¹ZPF-Zero Pollution Fuel Association (not-for-profit), Bari, Italy;
Paper Id: 474 [Abstract]

The main 10 problems of the world are classified in 2 groups. The first group consist of 4 of them: (1) Pollution, (2) Methane, (3) Arctic Amplification and (4) Global Warming. The second group (5) Geopolitics (6) Wars, (7) Social & Job & Youth, (8) Countries Deep State and corruption, mafia, lobbies, bureaucracy, (9) Fossil Fuel Energy System and the (10) For-Profit Economy. In this article, a social, political and legal analysis of these phenomena is carried out and proper conclusions are drawn that show that the situation is acute and need activated action.

References:
(1) Peter Carter on Twitter Sep 12, 2022 based on US Global Monitoring Laboratory - NOAA
(2) Giovanni Era on Twitter Feb 20,2021 based on US Global Monitoring Laboratory - NOAA ;
(3) Sam Carana " CH4 GWP"graph
(4) Sam Carana "Arctic News : Blu Ocean Event 2022 ?"
(5) Sam Carana "SST on Northern Hemisphere" graph based on NOAA Data till 2022

16:45: [LawsTuePM211] OS Plenary
Producing Hydrogen from water: the ZPF (Zero Pollution Fuel) Research Project
Giovanni Era¹ ; ¹ZPF-Zero Pollution Fuel Association (not-for-profit), Bari, Italy;
Paper Id: 475 [Abstract]

The goal of the ZPF Research Project is to study, define and produce with the free work of some Italian top level experts, a new technological system able to produce from water a new ZPF fuel based on hydrogen at acceptable cost. In this paper the fundamentals of the novel idea is explained and the importance of creating this zero pollution fuel has on society. The project will be based on public funding and through a Science & Social Sinergy pact between the ZPF-Zero Pollution Fuel not-for-profit Association and the Catholic Church probably the first science-social Project in the world.

References:
(1) Peter Carter on Twitter Sep 12, 2022 based on US Global Monitoring Laboratory - NOAA
(2) Giovanni Era on Twitter Feb 20,2021 based on US Global Monitoring Laboratory - NOAA ;
(3) Sam Carana " CH4 GWP"graph
(4) Sam Carana "Arctic News : Blu Ocean Event 2022 ?"
(5) Sam Carana "SST on Northern Hemisphere" graph based on NOAA Data till 2022

SESSION: MathematicsWedAM-R4	5th Intl. Symp. on Sustainable Mathematics Applications
Wed. 30 Nov. 2022 / Room: Arcadia 3
Session Chairs: Peter Rowlands; Tunc Aldemir; Session Monitor: TBA

11:30: [MathematicsWedAM01] OS Plenary
Cellular automata and the foundations of physics
Peter Rowlands¹ ; ¹University of Liverpool, Liverpool, United Kingdom;
Paper Id: 58 [Abstract]

<p>Previous work by the author has proposed a foundation for physics based on a Klein-4 symmetry between the four fundamental parameters mass, time, charge and space. These parameters and the algebras which specify their properties can then be seen as generated by a computational universal rewrite system, based on a zero totality state for the universe. The algebras, remarkably, combine to a 64-component group which is isomorphic to the gamma algebra of the Dirac equation, the equation which defines the fundamental (fermionic) state in physics. A very powerful version of relativistic quantum mechanics emerges from the application of this algebra, based on a state vector which is nilpotent or squaring to zero. In view of the various proposals made for founding physics on the behaviour of cellular automata, and the claim that long-range order in automata is only possible via the Klein-4 group (1), it is proposed to investigate possible connections between the Klein-4 group as used by the author in fundamental physics and the Klein-4 group as it becomes relevant to cellular automata, along with the computational developments with which they are each connected.</p>

References:
<p>1 Mainzer, K. and Chua, L., The Universe as Automaton From Simplicity and Symmetry to Complexity, Springer, 2012</p>

11:55: [MathematicsWedAM02] OS Plenary
Dynamic System Analysis Using the Markov/Cell-To-Cell Mapping Technique
Tunc Aldemir¹ ; ¹The Ohio State University, Columbus, United States;
Paper Id: 75 [Abstract]

<p>The Markov/cell-to-cell mapping technique (CCMT) is a systematic procedure to describe the dynamics of both linear and non-linear systems in discrete time and in system state space previously partitioned into computational cells in a similar manner used by finite difference or finite element methods [1]. An important feature of the Markov/CCMT is its capability to model the long term dynamics of chaotic systems in a probabilistic format. Markov/CCMT has been used for the failure modeling of different types of control systems, as well as for state/parameter estimation and diagnostics, accident management and global analysis of reactor dynamics. Some example applications are provided in [1-5]. A continuous-time, discrete state-space version of Markov/CCMT has also been developed [6] and implemented for dynamic probabilistic risk/safety assessment [7]. An overview of the Markov/CCMT is presented, including computational tools for applications.</p>

References:
<p>1. T. Aldemir. Utilization of the Cell-to-Cell Mapping Technique to Construct Markov Failure Models for Process Control Systems. In Probabilistic Safety Assessment and Management, 2, G. Apostolakis (Ed.), pp. 1431-1436, Elsevier Science Publishing Co., New York (1991). 2. T. Aldemir, P. Wang, D. W. Miller, Parameter and State Estimation Using DSD, Trans. Am. Nucl. Soc., 84, 109-110, (2001) 3. A. Burghelea, T. Aldemir, An Application of DSD with Recursive Partitioning Scheme to Constant Temperature Power Sensors. In Probabilistic Safety Assessment and Management: PSAM 7-ESREL&rsquo;04, C. Spitzer, U. Schmocker, V. N. Dang (Eds.), 1821-1827, Springer &ndash; Verlag, London, U.K, (June 2004). 4. T. Aldemir, S. Guarro, D. Mandelli, J. Kirschenbaum, L.A. Mangan, P. Bucci, M. Yau, E. Ekici, D.W. Miller, X. Sun, S.A. Arndt, Probabilistic Risk Assessment Modeling of Digital Instrumentation and Control Systems Using Two Dynamic Methodologies, Reliab. Engng &amp; System Safety, 95, 1011-1039 (2010) 5. M. Hejase, A. Kurt, T. Aldemir, U. Ozguner, S. B. Guarro, M. K. Yau, Matt. D. Knudson, &ldquo;Quantitative and Risk-Based Framework for Unmanned Aircraft Control System Assurance&rdquo;, Journal of Aerospace Information Systems, 15, 55-71 (2018). 6. B. Tombuyses, T. Aldemir, "Continuous Cell-to-Cell Mapping", J. Sound and Vibration, 202, 395-415 (1997). 7. B. Tombuyses, T. Aldemir. Dynamic PSA of Process Control Systems via Continuous Cell-to-Cell Mapping. In Probabilistic Safety Assessment and Management, P. C. Cacciabue, I. A. Papazoglou (Eds.), 1541-1546, Springer-Verlag, New York, N.Y. (1996)</p>

12:20: [MathematicsWedAM03] OS Keynote
The gradual abandonment of many types of well known experimental based physical models in favor of a more Universal Algebraic Theory: Part I - General framework
Mike Mikalajunas¹ ; ¹CIME, iLe Perrot, Canada;
Paper Id: 338 [Abstract]

The importance of theoretical models in Science and Engineering far outweighs that of experimental based models. The result of our lack of transparency towards the use of a more unified approach to analytical integration for solving some of the most difficult problems related to the Physical and Biological Sciences has forced us to become dependent on the use of experimental based models. In reality, this has never been a matter of choice for all of us but rather a direct consequence in our failure to fully understand exactly why the vast majority of differential equations behave the way they do by not admitting highly predictable patterns of analytical solutions for resolving them. In this talk I will begin by extending the traditional concept of a “differential” in Calculus by introducing an entirely new algorithm capable of representing all mathematical equations consisting of only algebraic and elementary functions in complete specialized differential form. Such a universal algorithm would involve the use of multivariate polynomials and the differential of multivariate polynomials all defined in a very unique algebraic configuration. At first glance this may not sound like a major breakthrough in the Physical Sciences but progressively throughout this entire presentation, it will become very apparent that such a specialized differential representation of all mathematical equations would lead to some form of a unified theory of integration. It is only from the general numerical application of such a universal theory in mathematics that we can expect to arrive at some form of a unified theory of Physics. This would be constructed from the development of very advanced physical models that would be built exclusively on general rather than on the local analytical solutions of many well known fundamental differential equations of the Physical and Biological Sciences.

12:45: [MathematicsWedAM04] OS Keynote
The gradual abandonment of many types of well known experimental based physical models in favor of a more Universal Algebraic Theory: Part II - Specific examples
Mike Mikalajunas¹ ; ¹CIME, iLe Perrot, Canada;
Paper Id: 339 [Abstract]

We will be presenting a very large amount of empirical results that were gathered from the numerical application of the unified theory of integration that was introduced in the first part of my entire presentation on a number of very specific mathematical models. This would include a general first order ODE followed by a second order PDE where a detailed empirical analysis of the data collected on each of these differential equations would lead to their complete integration in terms of generalized analytical solutions involving only the algebraic and elementary functions. We will also be presenting a series of Physical models which have been chosen very carefully just for demonstrating the applicability of our unified theory of integration into the Physical Sciences. These will include the equations for describing general linear elasticity and a very specific case of the Navier-Stokes equations corresponding to an incompressible fluid involving heat transfer and variable viscosity. For each of these physical models we will be developing a universal numerical process that would be based entirely on the general application of our specialized differential form representation of all mathematical equations for the exact integration of the corresponding set of PDEs in terms of only generalized exact analytical solutions that can satisfy a wide range of boundary conditions.

SESSION: MathematicsWedPM1-R4	5th Intl. Symp. on Sustainable Mathematics Applications
Wed. 30 Nov. 2022 / Room: Arcadia 3
Session Chairs: Simone Beghella Bartoli; Bhadra Tuladhar; Session Monitor: TBA

14:00: [MathematicsWedPM105] OS Plenary
The Unified Transform
Athanassios Fokas¹ ; ¹University of Cambridge, Cambridge, United Kingdom;
Paper Id: 332 [Abstract]

A new powerful hybrid numerical-analytic method for solving boundary value problems will be reviewed. This method, known as the unified transform or the Fokas Method, has its origin in the analysis of a particular class of nonlinear partial differential equations (PDEs) called integrable. However, in recent years it has found a large number of applications in the solution of linear evolution as well as elliptic PDEs (www.wikipedia.org/wiki/Fokas_method).

14:25: [MathematicsWedPM106] OS
Possible application of pseudo-proton irradiation for cancer treatment
Simone Beghella Bartoli¹ ; ¹Hadronic Technologies Corporation, Montelupone, Italy;
Paper Id: 278 [Abstract]

After decades of theoretical and experimental studies (see [1] for a general overview) on the most fundamental nuclear fusion in nature, the synthesis of the neutron from an electron and proton in the core of stars, R. M. Santilli and collaborators (including the Author) achieved the industrial synthesis o the neutron via a reactor known as Directional Neutron Source [2]. Subsequent systematic tests and independent verifications have shown that the same Directional Neutron Source can synthesize a new particle obtained from the synthesis of an electron and, this time, a neutron, by therefore resulting in a new strongly interacting particle called pseudo-proton [3] which is negatively charged, thus being attracted, rather than repelled by nuclei. In this lecture, we indicate that, subject to proper funding and development, pseudoproton irradiation is expected to be preferable over the current treatment of certain forms of cancer via proton irradiation [4] because, being positively charged, protons are repelled by the atomic nuclei of carcinogenic cells, thus requiring high irradiation flux and high energy with ensuing high invasive character. By contrast, due to the negative charge, pseudo-proton irradiation can be done via localized low energy beams that are absorbed by carcinogenic cells, with ensuing less invasive character.

References:
[1] R. M. Santilli, “Overview of historical and recent verifications of the EPR argument and their applications in physics, chemistry and biology”, APAV - Accademia Piceno Aprutina dei Velati, Pescara, Italy (2021), http://www.santilli-foundation.org/epr-overview-2021.pdf \n[2] R. Norman, S. Beghella Bartoli, B. Buckley, J. Dunning-Davies, J. Rak, R. M. Santilli, “Experimental Confirmation of the Synthesis of Neutrons and Neutroids from a Hydrogen Gas”, American Journal of Modern Physics, Vol. 6, p.85-104 (2017), www.santilli-foundation.org/docs/confirmation-neutron-synthesis-2017.pdf \n[3] R. M. Santilli, “Apparent Experimental Confirmation of Pseudoprotons and their Application to New Clean Nuclear Energies'', International Journal of Applied Physics and Mathematics, Vol. 9, p. 72-100 (2019), www.santilli-foundation.org/docs/pseudoproton-verification-2018.pdf\n[4] Mohan R, Grosshans D. Proton therapy - Present and future. Adv Drug Deliv Rev. 2017 Jan 15;109:26-44. doi: 10.1016/j.addr.2016.11.006. Epub 2016 Dec 3. PMID: 27919760; PMCID: PMC5303653.

14:50: [MathematicsWedPM107] OS
The mathematics of fractals and fractional calculus: New applications in science
Anastassios Bountis¹ ; ¹University of Patras, Patras, Greece;
Paper Id: 335 [Abstract]

The theory of Nonlinear Dynamics refers to the study of time - evolving processes in physical systems, whose evolution, although deterministic, often leads to behaviors that are unpredictable for long times. When time is a continuous variable, these processes are described by systems of nonlinear differential equations. However, it is often mathematically convenient to view time as a discrete variable, and describe the dynamics via nonlinear difference equations, which are computationally much easier to analyze [1,2]. In this lecture, I will begin by reviewing the geometry of fractals, originally developed to study objects that are geometrically complex, and often form structures called strange attractors to which the solutions of differential or difference equations converge as time grows indefinitely. Next, I will describe results of physical importance regarding energy transmission in Hamiltonian lattices, which constitute excellent models of dynamical processes occurring in Solid State Physics. In such processes, it is highly desirable to consider, beyond the short range effects of nearest neighbors, long range phenomena in which particles are influenced by distant neighbors. In this framework, it is often mathematically relevant to replace ordinary derivatives by their fractional form, in which ordinary differentiation is replaced by an operator Dα where α is not a positive integer [3,4]. For example, regarding anomalous diffusive processes in complex media, one often employs fractional-order differential equations to account for nonlocal diffusion effects.

References:
[1] T. Bountis, ''Fundamental Concepts of Chaos: Part I'', Open Systems and Information Dynamics, 3 (1), 23-95 (1995).
[2] T. Bountis, ''Fundamental Concepts in Classical Chaos, Part II: Fractals and Chaotic Dynamics'', Open Systems and Information Dynamics, 4,281-322 (1997).
[3] J. E. Macias-Diaz, A. Bountis, H. Christodoulidi, “Energy Transmission in Hamiltonian Systems with Globally Interacting Particles and On-Site Potentials”, Mathematics in Engineering, 1(2): 343–358 (April 2019).
[4] E. Macias Diaz and A. Bountis, “Nonlinear Supratransmission in Quartic Hamiltonian Lattices, with Globally Interacting Particles and On--Site Potentials”, Journal of Computational Nonlinear Dynamics, 16(2) 021001 (2021).

15:15: [MathematicsWedPM108] OL
Model Development and Simulations in Multiphase Landslide, Debris Flows and Avalanches
Bhadra Tuladhar¹ ; ¹Kathmandu University, Kavre, Nepal;
Paper Id: 313 [Abstract]

To make the earth a better place to live in as the ultimate goal for the sustainable development, mankind has to understand different earth processes and their dynamics. Nepal is a mountainous country where landslide, debris flow, land tsunami and other gravitational mass flow hazards claim many human lives every year. For the prevention and mitigation of such hazards, systematic study of such events is needed. We discuss our modeling and simulation techniques related to different gravitational mass flows, especially with physics-based two-phase mass flow model [1]. We discuss our attempts to model Glacial Lake Outburst Floods (GLOFs), in three different initial and boundary conditions for the lake geometry, volume, and conduits. The results reveal different interesting flow dynamics of the solid and fluid-phases, lake-emptying process and levee formation during the flow [2]. We also discuss the interaction of two-phase debris flow with obstacles of different orientations and number at different locations of the flow path. The results show many naturally inline phenomena, like flow redirection, formation of vacuum behind the obstacles and the phase-separation. The computation of the novel barycentric impact pressures computed from the separate phasic impact pressures are important for the design of the structural mitigation measures [3]. For the flow through laterally converging channels, we relate the flow obstruction and the contraction ratio. We also discuss our full dimensional model developed for the modeling of bulk mixture of solid and fluid [4] and simulate the dry and wet snow avalanches of different water contents [5]. In the unified modeling and simulation techniques, we also discuss the dynamics of subaerial and partially submerged landslide and the interaction with a fluid reservoir downstream. The resulting short land tsunami wave generation, amplification and propagation along with the submarine mass movement [5, 6]. The different physics, mechanics and dynamics of the solid and fluid phases in the gravitational mass flows as revealed in our models and simulation results have enriched our understanding in the multiphase geophysical mass flow processes.

References:
[1] S.P. Pudasaini, J. Geoph. Res. 117, F03010 (2012).
[2] P. Kattel, K.B. Khattri, P.R. Pokhrel, J. Kafle, B.M. Tuladhar, S.P. Pudasaini, Ann. Glaciol. 57(2016) 349-358.
[3] P. Kattel, J. Kafle, J.-T. Fischer, M. Mergili, B.M. Tuladhar, S.P. Pudasaini, Eng. Geology. 242 (2018) 197-217.
[4] P.R. Pokhrel, K.B. Khattri, B. M. Tuladhar, S.P. Pudasaini, Int. J. Non-Lin. Mech. 99(2018) 229-239.
[5] K.B. Khattri, J.-T. Fischer, B. M. Tuladhar, M. Jaboyedoff, S.P. Pudasaini, Proc. ISSW-International Snow Science Workshop (2018).
[6] J. Kafle, P.R. Pokhrel, K.B. Khattri, P. Kattel, B.M. Tuladhar, S.P. Tuladhar, Ann. Glaciol., 57 (2016) 232-244

SESSION: MathematicsWedPM2-R4	5th Intl. Symp. on Sustainable Mathematics Applications
Wed. 30 Nov. 2022 / Room: Arcadia 3
Session Chairs: Xinyue Ren; P. Kevrekidis; Session Monitor: TBA

15:55: [MathematicsWedPM209] OS
SINGULARLY PERTURBED SYSTEMS IN SUSTAINABLE MATHEMATICS APPLICATIONS (THEORETICAL AND APPLIED ASPECTS)
Lyudmila Kuzmina¹ ; ¹Kazan Aviation Institute – Kazan State University, Kazan, Russian Federation;
Paper Id: 136 [Abstract]

The paper is devoted to the different aspects of qualitative analysis in dynamics of complex nonlinear systems, that are generated by applied problems of engineering practice, including fundamental problems of modelling in mechanics. Main aims are the problems of optimal mechanical-mathematical modelling and the regular schemes of decomposition in engineering design. Multiconnectivity, high-dimensionality, nonlinearity of original statement under good detalization of full initial system lead to the necessity of the problem narrowing. The generalization of reduction principle, well-known in stability theory of A.M.Lyapunov, is important goal for engineering practice. Besides, the investigated objects are treated for unified view point on formed basic postulates (stability and singularity) as singularly perturbed ones (in sense of A.N.Tikhonov, A.Nayfeh, S.Cambell), with Sustainable Mathematics Applications. Uniform methodology, based on Lyapunov’s methods, in accordance with Chetayev’s stability postulate, is developed for mechanical systems with multiple time scales. The presented approach, with combination of stability theory and perturbations theory methods, allows to elaborate the general conception of the modelling, to build regular algorithm for constructing of the effective mechanical-mathematical models, to work out the simple schemes of engineering level for decomposition-reduction of original models and dynamic properties. This approach enables to obtain the simplified models, presenting interest for applications, with rigorous substantiation of the acceptability. The conditions of qualitative equivalence between full model and simplified models are determined. In the applications to mechanics (for mechanical systems with gyroscopes, for electromechanical systems, for robotic systems,…) the obtained results enable to construct the models (known and new ones) by strict methods, with the substantiation of the correctness for problems of analysis and synthesis. The interpretation of these models leads to new approximate theories, acceptable in applications of engineering practice. It allows to optimize the modelling process, to cut down the engineering design time. As applications, the different examples of concrete physical nature are considered. Besides the hierarchy of state variables is established by natural way automatically; the sequences of nonlinear shortened models (as comparison systems) are built in accordance with hierarchic structure of variables; the correspondence between original model and shortened one is revealed. The obtained results are generalizing and supplementing ones, known in theory of perturbations; these results are developing interesting applications in engineering. With reference to Mechanics the rigorous theoretic justification is obtained for considered approximate models and theories, both traditional (K.Magnus, A.Andronov, D.Merkin,…) and new ones (in particular, inertialess model, precessional model, Aristotel’s model of point mass dynamics,…). The author is grateful to Russian Foundation of Fundamental Investigations for support of this research.

16:20: [MathematicsWedPM210] OS
HSR Sustainable Logistics for the Development in Great Montreal Area
Xinyue Ren¹ ; Anjali Awasthi² ; Yonglin Ren³ ; Zuyun Ren⁴ ; ¹McGill University, Montreal, Canada; ²Concordia University, Montreal, Canada; ³, Montreal, Canada; ⁴WenShan University, WenShan, China;
Paper Id: 219 [Abstract]

In China, the High-Speed Railway (HSR) stimulates the economic and financial development of the society. With HSR at the speed of 420-660 km/h, this transportation vehicle leads to the quick development of human resources and freight flow. This increased efficiency propels and improves GDP in the region and the country. The HSR at 660 km/h which is tested successfully has a deep influence on the transportation market. At this speed comparable to the plane, the plane may lose its market share. In consideration of the boarding and luggage claiming time, the overall time spending on a similar trip with HSR may be quicker than the airplane’s if the distance between the destination and the departure is less than 9,000 kilometers. When we compare HSR with sky-flying vehicles, speaking of the travel’s time cost, only some special airlines like the 15,329 kilometers 18-hour flight between Singapore (SIN) and Newark (EWR) with Airbus A350-900ULR can compete with HSR’s. When we compare HSR with ground vehicles, if the sea tunnel for HSR is constructed, none of the other types of vehicles can be comparable to HSR in terms of efficiency [1]. In short, if top speed HSR such as Hyperloop with its 1000-4000 km/h is successfully constructed, as sustainable logistics, no other transportation will be comparable to such HSR [2]. However, although the province of Quebec is known for its vast amount of hydroelectricity and other recycling resources that can be implemented into the electrical system that empowers HSR, at the present stage, in the Great Montreal Area, there is no presence of HSR. Because of this reason, this paper discusses the suitability of the implementation of the HSR system and the cost-benefit of its implementation, with the reference of the Chinese one. Different mathematical models such as World Banks’s and their implications will be talked over [3]. Eventually, based on simulations and AI analysis, these models will be upgraded and be constructed to suit specifically the Great Montreal Area situation. Based on upgraded mathematical models, this paper will conclude whether the HSR is suitable for the Great Montreal Area and discuss the correlation between the HSR implementation and the financial and economic development in the region.

References:
[1] Cheng Yin, 2020. Analysis of China's high-speed rail operating mileage and investment status in 2019, p4.
[2] Canada Federal Sustainable Development Strategy, 2016. https://www.canada.ca /en/environment-climate-change/services/sustainable-development/synthesis-report-public-consultations-2016-2019.html.
[3] World Bank, China & Mongo sustainable Dep, 2014. Analysis of economy affection by China HSR. p59.

17:10: [MathematicsWedPM212] OS
From discrete solitons to discrete breathers and lattice traveling waves: A discussion of spectral stability and associated criteria
P. Kevrekidis¹ ; ¹Department of Mathematics and Statistics, Lederle Graduate Research Tower, University of Massachusetts, Amherst, United States;
Paper Id: 336 [Abstract]

The aim of this talk is to give an overview of stability criteria as they apply to a variety of coherent structures on infinite dimensional lattice dynamical systems. We will start with solitary waves of the discrete nonlinear Schrodinger equation (DNLS), discussing both a stability classification from the anti-continuum (uncoupled site) lattice limit and the famous Vakhitov-Kolokolov (VK) criterion. We will then extend considerations to discrete breathers primarily in nonlinear Klein-Gordon lattices, and will show how a direct analogy to the stability of their periodic orbits exists in connection to DNLS. Moreover, we will discuss a recently put forth criterion for their spectral stability which is analogous to the VK criterion and ``falls back'' on it upon reduction to the DNLS case. Lastly, we will discuss some intriguing connections of the discrete breather problem with that of traveling waves in (chiefly Fermi-Pasta-Ulam type) lattices and will devise yet another spectral stability criterion in that case too which will once again be the proper analogue of the VK one for the lattice traveling waves.

SESSION: MathematicsWedPM3-R4	5th Intl. Symp. on Sustainable Mathematics Applications
Wed. 30 Nov. 2022 / Room: Arcadia 3
Session Chairs: Prof. Ruggero Santilli; William Oates; Session Monitor: TBA

17:50: [MathematicsWedPM313] OS
Verifications and applications of the Einstein-Podolsky-Rosen argument that “Quantum mechanics is not a complete theory”
Prof. Ruggero Santilli¹ ; Pinchas Mandell² ; ¹Thunder Energies Corporation, Tarpon Springs, United States; ²Family of Israel Foundation, , Israel;
Paper Id: 334 [Abstract]

In this talk we outline: 1) The novel isomathematics for the representation of the size, shape and density of particles in deep mutual overlapping with ensuing non-linear, non-local and non-Hamiltonian interactions; 2) The Einstein-Podolsky-Rosen (EPR) "completion" via isomathematics of quantum mechanics and chemistry into hadronic mechanics and chemistry; 3) The ensuing new notion of EPR entanglement in which particles are in continuous and instantaneous communications via the overlapping of their wavepackets without need for superluminal communications; 4) The inapplicability of Bell's inequality under the indicated EPR entanglement with ensuing recovering of classical images; and 5) The progressive achievement of Einstein's determinism in the structure of hadrons, nuclei and stars and its full achievement at the limit of gravitational collapse. We then outline representative applications in physics, chemistry and biology, including expected new cancer treatments and the new conception of living organisms characterized by extended constituents in continuous and instantaneous EPR entanglement.

References:
References on recent verifications of the EPR argument
http://www.santilli-foundation.org/epr-overview-2021.pdf
Nine minutes video on EPR
http://www.world-lecture-series.org/legacy-of-einstein-for-new-clean-energies

18:15: [MathematicsWedPM314] OS Plenary
A search for connecting fractal structure and fractional properties in polymers
William Oates¹ ; ¹Florida Center for Advanced Aero-Propulsion, , United States;
Paper Id: 337 [Abstract]

In this talk, we explore a method to uncover fractal structure and fractional property relations in thermomechanical and electromechanical polymeric materials. The methodology is based on entropy dynamics where Shannon’s entropy is combined with fractional order constraints to obtain Bayesian posterior probability densities. This results in fat-tailed posterior densities where their maximum likelihood is evaluated using localized fractal and non-local fractional order operators. We argue that the entropy dynamic approach provides a means to identify the appropriate fractal and/or fractional order operators as a function of (multi)fractal material structure. We give examples in hyperelastic energy functions based on underlying multifractal structure and fractional order viscoelasticity. The modeling framework is compared to experiments on dielectric elastomers and auxetic foams where the uncertainty in the constitutive properties and the fractional order are quantified.

SESSION: RecyclingMonAM-R5	Kolomaznik International Symposium (8th Intl. Symp. on Sustainable Materials Recycling Processes & Products)
Mon. 28 Nov. 2022 / Room: Arcadia 2
Session Chairs: Michaela Barinova; Session Monitor: TBA

11:30: [RecyclingMonAM01] OS Plenary
Practical Experience from the Design of Recycling Technology Projects
Karel Kolomaznik¹ ; Juan Carlos Beltran Prieto² ; ¹Tomas Bata University in Zlin, Zlin, Czech Republic; ²Tomas Bata University in Zlin, Faculty of Applied Informatics, ZLIN, Czech Republic;
Paper Id: 98 [Abstract]

The paper deals with selected authors' solutions of recycling technologies for the processing of industrial by-products. The presented technologies specifically include refinery hydrogenation, recycling of wastewater produced by a dairy farm and waste-free processing of solid waste from the leather and food industries [1,2,3]. Proposals of control algorithms based on economic optimization of washing processes are presented [4]. The introduced solutions are briefly supplemented by the theory of transport processes and heterogeneous reaction kinetics, which were involved in projects and industrial implementations [5,6].

References:
[1] K. Kolomaznik, M. Mladek, F. Langmaier, D. Janacova, M. M. Taylor, J. Am. Leather Chem. Assoc. 95 (2000) 55-63.\n[2] K. Kolomaznik, M. Mladek, F. Langmaier, D. Janacova, D. C. Shelly, M. M. Taylor, J. Am. Leather Chem. Assoc. 98 (2003) 487-490.\n[3] K. Kolomaznik, V. Vasek, I. Zelinka, M. Mladek, F. Langmaier, D. Rabinovich, J. Am. Leather Chem. Assoc. 100 ( 2005) 119-123. \n[4] K. Kolomaznik, Z. Prokopova, V. Vasek, D. Bailey, J. Am. Leather Chem. Assoc. 101 (2006) 309-316. \n[5] K. Kolomaznik, J. Pecha, V. Friebrova, D. Janacova, V. Vasek, Heat Mass Transf. 48 (2012) 1505–1512. \n[6] K. Kolomaznik, T. Furst, M. Uhlirova, Can. J. Chem. Eng. 87 (2009) 60-68.

11:55: [RecyclingMonAM02] OS
Complex Processing of Animal Waste Fats into Valuable Products with Regard to the Economic Aspects
Jiri Pecha¹ ; Lubomir Sanek¹ ; Karel Kolomaznik² ; Veronika Matusu³ ; Vladimir Dostal² ; Jakub Husar³ ; ¹Tomas Bata University in Zlin, Faculty of Applied Informatics, CEBIA-Tech, Zlin, Czech Republic; ²Tomas Bata University in Zlin, Zlin, Czech Republic; ³Tomas Bata University in Zlín, Faculty of Applied Informatics, Zlin, Czech Republic;
Paper Id: 89 [Abstract]

<p>The slaughterhouses generate a large amount of wastes - byproducts. One of them is waste fatty tissue. Fatty tissues from animals are composed of essentially three main components – water, fat and also proteins. These byproducts can be further processed and well utilized for various applications. [1, 2] It is reasonable to find appropriate utilization especially for byproducts which are not suitable or profitable for utilization in food. Waste animal fats rank among raw materials that can be used for biodiesel production and the processed protein can be used as plants biostimulant. Biodiesel, which can be used in diesel engine, is usually produced from animal fat or vegetable oil by transesterification reaction, in the presence of suitable catalyst and reactants – methanol or ethanol. [3] Protein hydrolysates represent significant category of plant biostimulants and organic nitrogen fertilizers based on a mixture of peptides and amino acids that have received increasing attention due to their positive impact on plant metabolism and crop performance. [4, 5] The goal of our work was to suggest complex processing of the animal waste fat into mentioned valuable products. The processing technology included melting of the raw fatty waste whereas water was evaporated and obtained fat was used as a feedstock for transesterification into biodiesel. The reaction conditions were set at: 1.5% w/w of TMAH as a catalyst, reaction temperature at the reaction mixture boiling point, the feedstock to methanol molar ratio of 1:6, respectively, and the reaction time 210 min. Depending on the composition of the input raw material, the processing of the protein fraction of waste fat was also verified. The raw material has been subjected to hydrolysis catalysed by proteolytic enzyme (alcalase). The final biodiesel fulfills the key requirements prescribed by European standard EN 14 214. The production of protein hydrolysate that can be used as organic nitrogen fertilizer or plant biostimulant is a suitable way of processing the protein fraction lost during fat refining, which also contributed to the overall economy of the process. The overall results served as a basis for technical and economy assessment of the waste processing.</p>

References:
<p>[1] H. Sharma, M. Goswami, Int. J. Food Process. Technol. 4 (2013) p. 252. [2] I.H. Franke-Whittle, H. Insam, Crit. Rev. Microbiol. 39 (2013) 139‐151. [3] V.K. Booramurthy, R. Kasimani, D. Subramanian, S. Pandian, Fuel, 260 (2020) p. 116373. [4] G. Colla, S. Nardi, M. Cardarelli, A. Ertani, L. Lucini, R. Canaguier, Y. Rouphael, Sci. Hortic. 196 (2015) 28-38. [5] J. Pecha, T Furst, K. Kolomaznik, V. Friebrova, P. Svoboda, AIChE Journal 58 (2012) 2010-2019.</p>

12:20: [RecyclingMonAM03] OS
Food waste valorization by co-digestion for biogas production and carbon emission reduction: Role of VFA and SCOD
Anwar Ahmad¹ ; ¹University of Nizwa, Nizwa, Oman;
Paper Id: 46 [Abstract]

<p>The demand for the reduction of food waste in Oman has been increased during recent years. The rapid development of economic growth is throwing impact on the work-of-art of the solid waste. Food waste is generated from residential, industrial, commercial, and institutional sectors. Due to growing population and increasing consumption, the amount of solid waste is increasing. In arid region of Oman, solid waste generation was 19,100 ton/d in 2005. Generation of solid waste is expected to reach 30,000 tons/d in 2020. The high food waste content in MSW leads to its separation for use in anaerobic treatment in the available highest sources of VFA 2.89 g/l and SCOD 1980 mg/l. Biogas and methane yield were recorded to a maximum of 1.364 l/g-CODremoved.d (r=0.87), 0.912 L/g-CODremoved.d (r=0.99) and average methane content of biogas was 69%. The reactor was fully acclimatized at 55oC and achieved stability with high removal efficiency of COD, biogas production and emission reduction of CO2 of 89%. Thus, at 55oC temperature and OLR of 12.5 g-COD/L.d with 8 d HRT support a maximum biogas production of 1.37 L/g-CODremoved.d.</p>

References:
<p>1. Ngoc, U.N., Schnitzer, H. (2009). Sustainable solution for solid waste management in Southeast Asian countries, J. Waste Manage., 29, 1982-1995. 2. Black, D.R. (1994). Methane role in atmospheric change, SWANA&rsquo;S 17th annual international landfill gas symposium. Long Beach CA. 3. Calander, B. (1995). Scientific aspects of the framework conversion on climate change and national greenhouse gas inventories, Environ. Monitoring and Assessment, 28, 129-140. 4. Ishigaki, T., Yamada, M., Nagamori, M., Ono, Y, Inoue, Y. (2005). Estimation of methane emission from whole waste landfill site using correlation between flux and ground temperature, Environ. Geol., 48, 845-853. 5. Ministry of energy, waster and communications. (2004). Malaysia energy center, Study on clean development mechanism potentional in the waste sectors in Malaysia, Final report on renewable energy and energy efficiency component (subcomponent III: CDM action plan). 6. Kamarudin, W.N.B. (2008). The CDM/sustainable energy market in Malaysia, Malaysian energy center, Kuala Lampur, Malaysia. 7. El-Fadel, M., Masoud, M. (2001). Methane emissions from wastewater management, Environ. Poll., 114, 177-185. 8. Christophersen, M., Kjeldsen, P., Holts, H., Chanton, J. (2001). Lateral gas transport in soil adjacent to an old landfill: Factors governing emissions and methane oxidation, Waste Manage. Res., 19, 126-143. 9. Abushammala, M.F.M., Basri, N.E.A., Kadhum, A.A.H. (2009a). Review on landfill gas emission to the atmosphere, Eur. J. Sci. Res., 30, 427-436. 10. Sawayama, S., Inoue, S., Minowa, T., Tsukahara, K., Ogi, T. (1997). Thermochemical liquidization and anaerobic treatment of kitchen garbage, J. Ferment. Bioeng., 83, 451-455. 11. Alper, T.A., Orham, I., Nilgun, A.O., Betul, K., Bahar, K.I. (2005). Evaluation of performance, acetoclastic methanogenic activity and archaeal composition of full-scale UASB reactors treating alcohol distillery wastewaters. Process Biochem., 40, 1251-1259. 12. Tsukahara, K., Yagishita, T., Ogi, T., Sawayama, S. (1999). Treatment of Liquid Fraction Separated from Liquidized Food Waste in an Upflow Anaerobic Sludge Blanket Reactor, J. Biosci. and Bioeng., 87, 554-556. 13. Farhan, E.l., Shieh, M. (1999). Overloading responses of a glucosefed anaerobic fluidized bed reactor. J. Biochem. Eng., 3, 17&ndash;23. 14. Choorit, W., Wisarnwan, P. (2007). Effect of temperature on the anaerobic digestion of palm oil mill effluent, Electr. J. Biotech., 10, 376-385.</p>

12:45: [RecyclingMonAM04] OS
Evaluation Of Parameters Affecting Glycerol Oxidation
Juan Carlos Beltran Prieto¹ ; Karel Kolomaznik² ; ¹Tomas Bata University in Zlin, Faculty of Applied Informatics, ZLIN, Czech Republic; ²Tomas Bata University in Zlin, Zlin, Czech Republic;
Paper Id: 86 [Abstract]

<p>Biodiesel is a renewable fuel produced from vegetable oils such as rapeseed oil, sunflower oil, and soybean oil, as well as used cooking oils and animal fats [1]. Biodiesel production is, in fact, a complex process in which the glycerin that is generated as a byproduct during the production process can be used for both technical and pharmaceutical applications [2]. The availability of raw glycerin has been increasing significantly in recent years, but the demand for the product has largely remained unchanged. This excess supply and limited demand have caused the raw glycerin prices to stay low. As a result, it is important to find new applications and alternatives for the valorization of this byproduct generated from biodiesel industry [3]. Several studies have been reported aiming to transform glycerol into added-value products. However, little research has been performed on glycerol oxidation using Fenton´s oxidation process. In this work, Fenton catalyst was used to perform the oxidation of glycerol under controlled conditions of temperature, H₂O₂ flow rate addition and Fe₂SO₄/H₂O₂ ratio. Samples were taken after the addition of H₂O₂ at different intervals of time and were analyzed by High Performance Liquid Chromatography. Glyceraldehyde was quantified as the main oxidation product (32% conversion and 45% selectivity) after 70% of glycerol conversion using 0.5% H₂O₂ added at a flow rate of 5ml/min with a ratio of FeSO₄/H₂O₂ (mol/mol) between 4 and 0,33. Additional compounds detected were dihydroxyacetone, glyceric acid and glycolic acid.</p>

References:
<p>[1] A. Demirbas S. Karslioglu, Eerg Source Part A. 29 (2007) 133-141. [2] L.J. Konwar, J.P Mikkola, N. Bordoloi, R. Saikia, R. S. Chutia, R. Kataki, Waste Biorefinery, Potential and Perspectives. (2018) 85-125. [3] A. Rodrigues, J.C. Bordado, R. G. dos Santos. Energies, 10 (2017) 1-36</p>

SESSION: RecyclingMonPM1-R5	Kolomaznik International Symposium (8th Intl. Symp. on Sustainable Materials Recycling Processes & Products)
Mon. 28 Nov. 2022 / Room: Arcadia 2
Session Chairs: Jiri Pecha; Session Monitor: TBA

14:00: [RecyclingMonPM105] OS
Automatic Control of Recycling Technologies
Vladimir Vasek¹ ; Karel Kolomaznik² ; Petr Dostálek² ; Dagmar Janacova¹ ; Hana Vaskova³ ; ¹Tomas Bata University in Zlin, Faculty of Applied Informatics, Zlin, Czech Republic; ²Tomas Bata University in Zlin, Zlin, Czech Republic; ³Tomas Bata University in Zlin, Faculty of Applied Informatics, CEBIA-Tech, Zlin, Czech Republic;
Paper Id: 117 [Abstract]

The main task of the production process, where the input material is mainly secondary raw materials, is the production of products with high utility value. Secondary raw materials, often inappropriately called wastes, are characterized by non-standard properties, especially in connection with the composition and consistency, which differ significantly from control procedures, where the starting raw material has standard properties. The design of the optimal control of a recycling technology for the processing of such raw materials must be very flexible with regard to their changing properties and often also the changing quantity of the processed material. Therefore, when designing the management of recycling technologies, we must take into account the specific requirements of the processing technology, which is often not developed or is only recently designed on the basis of various requirements arising in particular from environmental protection. We therefore face two challenges – to solve a new technology and, of course, at the same time to design an automatic control system. Due to considerable concentration of industry, large-capacity units are being built, which are managed by renovated companies that supply most of the world's software. The traffic management system, including computer equipment, is in most cases delivered "turnkey" and the software is often inaccessible to the user, who does not have the opportunity to intervene in the program, change it and possibly supplement it. However, due to the constantly changing properties and composition of the secondary raw material, recycling technologies require the active cooperation of a technologist and an expert in automatic control, who can use modern means of automatic control to solve specific situations, which are often characterized by variable parameters of the controlled object. These means include, for example, intelligent sensors, powerful means of computer technology, intelligent actuators, but also modern methodologies for the design of control algorithms based on adaptive or predictive principles, often supplemented by artificial intelligence methods.<br />Another specific feature is the fact that most recycling technologies fall into the area of small-scale production. This is due both to the nature of specific primary technologies and to economic reasons that often do not allow the central collection of secondary raw materials. Mobile units are being built that can partially solve this economic problem. Examples of control algorithm designs include total chromium recycling from solid and liquid wastes produced in tanning, modeling of an exothermic rector for the preparation of regenerated tanning salt, and design of raw leather soak control based on a distributed parameter model.

References:
[1] V. Vašek, D. Janáčová, K. Kolomazník, P. Doležel, P. Mokrejš Computer Control of Cured Hide Soaking, Proceedings of the 8th WSEAS International Conference on Dynamical Systems and Control, (2012) 183-186 \n[2] J. Dolinay, P. Dostálek, ; V. Vašek Program modules for control applications of microcontrollers, Latest Trends on Systems. Volume II, (2014) 488-491\n[3] D. Janáčová, K. Kolomazník, P. Mokrejš, V. Vašek, O. Líška, A. Blaha. Modelling of raw hide one-stage washing process, International Conference on Environmental Science and Energy Engineering ICESEE, (2015)\n[4] S. Plšek, V. Vašek Fast Response Adaptive Controller , AUTOMATIZÁCIA A RIADENIE V TEÓRII A PRAXI: WORKSHOP, (2016)

14:25: [RecyclingMonPM106] OS
Yeasts Hydrolysis for Functional Food Preparation and Waste Valorization
Jiri Pecha¹ ; Jakub Husar² ; Karel Kolomaznik³ ; Veronika Matusu² ; Michaela Barinova³ ; ¹Tomas Bata University in Zlin, Faculty of Applied Informatics, CEBIA-Tech, Zlin, Czech Republic; ²Tomas Bata University in Zlín, Faculty of Applied Informatics, Zlin, Czech Republic; ³Tomas Bata University in Zlin, Zlin, Czech Republic;
Paper Id: 91 [Abstract]

<p>Yeasts, especially Saccharomyces cerevisiae species and similar, are used in food technologies for centuries. Even though they are produced commercially, they present in many cases abundant by-products or even waste. It is estimated that spent brewer’s yeasts account for approximately 2 % of the overall beer production [1]. They are usually used to some extent in animal feed; however, large quantities are disposed [1, 2]. Bakery or brewery yeasts present available source of proteins and functional peptides, minerals, trace elements, vitamins and even rich source of β-glucans, among others [2]. Processing of yeasts is a key factor determining the yield of valuable compounds like proteins, digestibility and nutritive value of the prepared functional food components [2, 3]. Hydrolysis is one of the common and perspective methods of protein fraction isolation from yeasts [2]. In addition, hydrolysed proteins of lower molecular weight are advantageous in food supplements for athletes and in the field of special nutrition [2, 3, 4]. Despite the fact that many technically feasible procedures for yeast processing have been proposed, it is usually the economic viability of the technology that is crucial for its practical application in the industrial scale [2]. The aim of our work was to investigate protein fraction isolation from yeasts via hydrolysis catalysed by lactic acid and assess the possibility of the process scale-up. The key operation is the reaction mixture filtration, which was used to separate the liquid fraction with extracted proteins from the solid residues. The effect of reaction temperature (100 – 140 °C) on the yield of soluble dry matter, protein and on filtration parameters was evaluated. It was shown that it is possible to reach a dry matter yield of more than 80 % and the amino acid composition of the final hydrolysate was determined. In addition, gained results clearly documented the impact of hydrolysis conditions on scale-up of the reaction mixture filtration.</p>

References:
<p>[1] A. Bekatorou, S. Plessas, I. Mantzourani. In V. R. Ravishankar (ed.) Advances in Food Biotechnology (2016), John Wiley & Sons, 395-413. [2] P. Puligundla, C. Mok, S. Park. Innov. Food Sci. Emerg. Technol. 62 (2020) 102350. [3] E. A. Yamada, V. C. Sgarbieri. J. Agric. Food Chem. 53 (2005) 53, 3931-3936. [4] J. J. Boza, D. Moënnoz, J. Vuichoud, A. R. Jarret, D. Gaudard-de-Weck, O. Ballèvre. Eur. J. Nutr. 39 (2000) 237 – 243.</p>

14:50: [RecyclingMonPM107] OS
Printed Circuit Boards Recycling
Dagmar Janacova¹ ; Karel Kolomaznik² ; Vladimir Vasek¹ ; Rudolf Drga¹ ; Jan Pitel³ ; ¹Tomas Bata University in Zlin, Faculty of Applied Informatics, Zlin, Czech Republic; ²Tomas Bata University in Zlin, Zlin, Czech Republic; ³Technical University of Kosice, FMT, Presov, Slovakia;
Paper Id: 116 [Abstract]

This paper focused on the modeling of ecological treatment of printed circuit boards (PCB). Due to the high increase in the production of electronic waste, which contains a whole range of usable components, it is necessary to recycle it. We have proposed a solution for the separation of conductive paths from plastics, taking into account the legislative approaches,the existing methods of PCB separation, the composition, and the production of PCBs and also the binders used in PCBs. We used the knowledge of process engineering to design a mathematical description of temperature fields in PCBs and the stress. To a great extent, we have devoted ourselves to the simulation experiments of PCB heating and cooling and the determination of temperature fields and the corresponding temperature-dependent cyclic mechanical stresses. The simulation was performed in the Pro / ENGINEER and COMSOL Multiphysics® software environments, because of the possibility of solving multiphysical problems. The outputs from computer simulations are the initial stage for the design of an eco-friendly way of recycling PCBs. In the future, we will focus on the more complicated issue of recycling multilayer PCBs. The development of new criteria for PCB recycling has opened new possibilities for the treatment of the used materials.

References:
[1] F. Božek, R. Urban, Z. Zemánek, Recycling, 202 pp., 2002, ISBN 80-238-9919-8
[2] J. Křenek. Doctoral thesis, 105, FAI UTB, Zlín 2017
[3] D. Janáčová, K. Kolomazník, V. Vašek, P. Mokrejš, 13th WSEAS, ACMOS'11, 2011, ISBN 9781618040046
[4] P. Božek, ICSS 2013, Wroclaw; Poland, 2013
[5] J. Křenek, D. Janáčová, O. Líška, V. Vašek, O. Šuba, CSCC 2017, The Journal MATEC Web of Conferences, Crete Island, 2017
[6] Z. Jančíková, P. Koštial, D. Bakošová, I. Ružiak, K. Frydrýšek, J. Valíček, M. Farkašová, R. Puchký, Journal of Nano Research, 16, 21, 2013
[7] D. Janačová, V. Vašek, J. Pitel’, M. Vítečková, R. Drga, J. Křenek, O. Líška MATEC Web Conf., 210 01004, 2018, eISSN: 2261-236X, https://doi.org/10.1051/matecconf

15:15: [RecyclingMonPM108] OL
Developing High Performance Functional Materials from Waste
Sabu Thomas¹ ; ¹Mahatma Gandhi University, Kerala, India;
Paper Id: 159 [Abstract]

Green chemistry started for the search of benign methods for the development of nanoparticles from nature and their use in the field of antibacterial, antioxidant, and antitumor applications. Bio wastes are eco-friendly starting materials to produce typical nanoparticles with well-defined chemical composition, size, and morphology. Cellulose, starch, chitin and chitosan are the most abundant biopolymers around the world. All are under the polysaccharides family in which cellulose is one of the important structural components of the primary cell wall of green plants. Cellulosenanoparticles(fibers, crystals and whiskers) can be extracted from agrowaste resources such as jute, coir, bamboo, pineapple leafs, coir etc. Chitin is the second most abundant biopolymer after cellulose, it is a characteristic component of the cell walls of fungi, the exoskeletons of arthropods and nanoparticles of chitin (fibers, whiskers) can be extracted from shrimp and crab shells. Chitosan is the derivative of chitin, prepared by the removal of acetyl group from chitin (Deacetylation). Starch nano particles can be extracted from tapioca and potato wastes. These nanoparticles can be converted into smart and functional biomaterials by functionalisation through chemical modifications (esterification, etherification, TEMPO oxidation, carboxylation and hydroxylation etc) due to presence of large amount of hydroxyl group on the surface. The preparation of these nanoparticles include both series of chemical as well as mechanical treatments; crushing, grinding, alkali, bleaching and acid treatments. Transmission electron microscopy (TEM), scanning electron microscopy (SEM) and atomic force microscopy (AFM) are used to investigate the morphology of nanoscale biopolymers. Fourier transform infra-red spectroscopy (FTIR) and x ray diffraction (XRD) are being used to study the functional group changes, crystallographic texture of nanoscale biopolymers respectively. Since large quantities of bio wastes are produced annually, further utilization of cellulose, starch and chitins as functionalized materials is very much desired. The cellulose, starch and chitin nano particles are currently obtained as aqueous suspensions which are used as reinforcing additives for high performance environment-friendly biodegradable polymer materials. These nanocomposites are being used as biomedical composites for drug/gene delivery, nano scaffolds in tissue engineering and cosmetic orthodontics. The reinforcing effect of these nanoparticles results from the formation of a percolating network based on hydrogen bonding forces. The incorporation of these nano particles in several bio-based polymers have been discussed. The role of nano particle dispersion, distribution, interfacial adhesion and orientation on the properties of the eco friendly bio nanocomposites have been carefully evaluated.

References:
• S. Thomas et al. ACS Appl. Mater. Interfaces, 10 (23), pp 20032–20043,2018
• S.Thomas et al. ACS Sustainable Chemistry & Engineering, 2017
• S. Thomas et al., Progress in Biomaterials 5 (3-4), 223-235, 2016
• S. Thomas et al., Biotech 6 (2), 249,2016
• S. Thomas et al., Journal of Water Process Engineering, 2016
• S. Thomas et al., Journal of Renewable Materials 4 (5), 351-364, 2016
• S. Thomas et alCarbohydrate polymers 149, 357-368, 2020

SESSION: RecyclingMonPM2-R5	Kolomaznik International Symposium (8th Intl. Symp. on Sustainable Materials Recycling Processes & Products)
Mon. 28 Nov. 2022 / Room: Arcadia 2
Session Chairs: Carmen Gaidau; Session Monitor: TBA

15:55: [RecyclingMonPM209] OS
Protein By-products Recovery and Reuse for Sustainable Agriculture and Medical Applications
Carmen Gaidau¹ ; Mihaela Niculescu² ; Stanca Maria² ; Cosmin Alexe² ; Marius Becheritu³ ; Roxana Horoias³ ; Jiri Pecha⁴ ; ¹, , ; ²R&D National Institute for Textiles and Leather, Bucharest, Romania; ³SC Probstdorfer Saatzucht Romania SRL, Bucharest, Romania; ⁴Tomas Bata University in Zlin, Faculty of Applied Informatics, CEBIA-Tech, Zlin, Czech Republic;
Paper Id: 121 [Abstract]

The leather industry processes a by-product of the meat industry, being an ecological activity and contributing to the pollution mitigation generated by the food industry [1,2]. However, raw hide and skin processing generates, in addition to a unique product, unmatched by any synthetic material, a large amount of collagen by-products valuable to other industries [3]. The presentation will talk about the experience gained in capitalizing on leather, aquaculture and wool by-products through chemical-enzymatic extraction and refining processes in bioactive proteins for use in agriculture or for the production of biomaterials with cell regeneration properties for wound treatment. In recent years, concerns have been raised over excessive use of pesticides, their toxicity, and the potential to pollute the environment [4]. In this context, the interest for innovation in biostimulants and fertilizers with systemic effects on plant metabolism has increased, as an alternative for pesticide reduction. Collagen and keratin have been extracted, solubilized, refined, and conditioned by the processing of collagen and keratin-based by-products such as: hide fleshings, leather shavings, fish skins or unmarketable wool. For this purpose, chemical and chemical-enzymatic hydrolysis processes allowed new products to be adapted to the nutritional needs of different plant species. Thus, wheat seeds were treated with low amounts of pesticides in admixture with collagen hydrolysates. Greenhouse and field experiments have shown that plants are more resistant to climate change and extreme soil pH. The formulation and experimentation of mixtures of collagen hydrolysates, keratin, and essential oils for foliar fertilization of cereal plants have led to substantial production increases for wheat crops. Another direction of research was that of crosslinked collagen-based products with long-term nitrogen release that have been experimented with promising results for treating seeds and leguminous plants. The elastic properties of fish collagen have been exploited to cover rapeseed pods in order to improve indehiscence and reduce production losses. The collagen extracts with spinnable properties were designed for fabrication of wound healing nanofibers and showed high biocompatibility and low cytotoxicity. Keratin powders with low molecular weights were prepared for gel and cream formulations intended to be used in recalcitrant skin wound healing. Regenerative properties of new protein extracts will be shown as results of testing on standardized cell lines specific to the dermo-epidermal layer and vascular endothelium. The versatility of collagen and keratin extracts was proved and the premises for biomass recovery and reuse in agriculture and medicine open the door for increased circularity of many economic domains.

References:
[1] A.Saiddain, International Leather Maker, 2019, https://internationalleathermaker.com/news/fullstory.php/aid/7289/The_honest_truth_about_leather.html
[2] De Rosa-Giglio P., Fontanella A., Gonzalez-Quijano G., Ioannidis I., Nucci B., Brugnoli F, Product Environmental Footprint Category Rules-Leather, 2018 https://ec.europa.eu/environment/eussd/smgp/pdf/PEFCR_leather.pdf
[3] R. Sole, L. Taddei, C. Franceschi and V. Beghetto, Molecules, 24, 2979, 2019, doi:10.3390/molecules24162979
[4] F. Hüesker, R. Lepenies, Environmental Science & Policy,128, 2022, 185-193

16:20: [RecyclingMonPM210] OS
Proteinic Composites from By-Products for Applications in Circular Economy
Mihaela Niculescu¹ ; Carmen Gaidau² ; Mihai Gidea³ ; Marius Becheritu⁴ ; ¹The National Researche-Development Institute for Textiles and Leather - Leather and Footwear Research Institute Division, Bucharest, Romania; ²R&D National Institute, Bucharest, Romania; ³University of Agronomic Science and Veterinary Medicine–UASMV, Bucharest, Romania; ⁴SC Probstdorfer Saatzucht Romania SRL, Bucharest, Romania;
Paper Id: 61 [Abstract]

<p>KEYWORDS: Collagen, Keratin, By-products, Circular Economy Industrial and agricultural by-products represent an important resource of raw materials and added value, whose processing and introduction into the economy, produces a significant reduction of the environmental impact. The leather industry generates a large amount of collagen and keratin by-products, which are generous energy sources for biostimulation and organic fertilization of plants [1], soil enrichment, but are also suitable for industrial applications: biodegradable packaging, adhesives, surfactants, auxiliaries for leather processing [2] etc. The literature information in this field refers to the study of specific properties for individual application. In connection with our new research in valorisation of collagen and keratin from by-products, we have investigated the structural and textural properties of protein composites obtained from leather industry by-products, in order to identify the complementary properties, for directing the same composites obtained with minimum manufacturing costs to several applications. This paper presents results obtained in the analytical investigation of gelatin extracts, collagen and keratin hydrolysates and proteinic composites made on the basis of these extracts. For this purpose, texture analyses were performed by the TEX'AN equipment provided with tools for the analysis of gels and films, structural analyses by FTIR-ATR, particle size distribution by Dynamic Light Scattering. It has been found that collagen and keratin extracts contain sufficient proportions of small and medium size components size, of the order of 1-100 nm and of 100-1000 nm, specific for free amino acids and small oligopeptides. The small peptides usually show better bioactivities than larger peptides [3] and can penetrate plant cell membranes and induce immediate systemic effects on biostimulation and protection. However, collagen and keratin extracts contain large size components, over 1000 nm, in considerable proportions, which provide film-forming properties with controlled biodegradability and thus a delayed release of amino acids, for a gradual nutrition of plants in vegetation. In industrial applications, small and medium-sized compounds are associated with the surfactant properties [4], while large molecular compounds induce the adhesive and film-forming properties [5].</p>

References:
<p>[1] M. D. Niculescu, C. Gaidau, D.-G. Epure, M. Gidea, Rev. Chim.-Bucharest, 69:2 (2018) 379-385. [2] R. Ammasi, J.S. Victor, R. Chellan, M. Chellappa, Waste Biomass Valori., (2019) E-ISSN 1877-265X. [3] H. Hong, H. Fan, M. Chalamaiah, J. Wu, Food Chem., 301 (2019) 125222. [4] M. Goldfeld, A. Malec, C. Podella, C. Rulison, J. Pet. Environ. Biotechnol., 6:2 (2014) 1000211. [5] K. Thongchai, P. Chuysinuan, T. Thanyacharoen, S. Techasakul, S. Ummartyotin, SN Applied Sciences, 2:2 (2020) 225.</p>

16:45: [RecyclingMonPM211] OS Keynote
Utilization of Protein By-Products in 3D Bioprinting
Eva Achbergerova¹ ; Lenka Musilova² ; Lenka Vitkova² ; Ales Mracek² ; Jiri Pecha¹ ; ¹Tomas Bata University in Zlin, Faculty of Applied Informatics, CEBIA-Tech, Zlin, Czech Republic; ²Tomas Bata University in Zlin, Zlin, Czech Republic;
Paper Id: 102 [Abstract]

Three-dimensional (3D) bioprinting has been employed in recent years as an attractive method for tissue engineering. [1] Using a 3D bioprinter allows proper distribution and positioning of biomaterials and cells to create desired constructs. [2] One of the major challenges associated with 3D bioprinting is the development of materials that can be used as suitable bioink. Namely, hydrogels formed by biopolymers (collagen, gelatine, hyaluronan, etc.) are of particular interest because of their capability to mimic the cell’s extracellular matrix (ECM). [3] The present work is aimed at the preparation and direct embedding of cells in 3D printed materials. Although native collagen is the major structural component of ECM, this biopolymer is less applicable for hydrogel preparation suitable for microextrusion due to its lower viscosity as well as accessibility to chemical modification. [4,5] Therefore, bovine or rabbit gelatines prepared from industrial collagen by-products (waste) were used in this study. Moreover, gelatines were mixed with hyaluronan and chemically cross-linked by glutaraldehyde to acquire materials with appropriate properties for 3D bioprinting. During the cross-linking, forming hydrogels were mixed with fluorescently stained fibroblasts and printed. Finally, cell distribution within the printed material was investigated using fluorescent imaging. In conclusion, chemically cross-linked hydrogels composed of biopolymers were prepared as a potentially promising bioink with application in 3D printing.

References:
[1] Blaeser, A., Campos, D. F. D., & Fischer, H. Current Opinion in Biomedical Engineering 2 (2017) 58-66
[2] Matai, I., Kaur, G., Seyedsalehi, A., McClinton, A., Laurencin, C. T. Biomaterials 226 (2020) 119536.
[3] Van Vlierberghe, S., Dubruel, P., & Schacht, E. Biomacromolecules, 12 (2011) 1387-1408.
[4] Mazzocchi, A., Devarasetty, M., Huntwork, R., Soker, S., & Skardal, A. Biofabrication, 11(1) (2019) 015003-15014.
[5] Spicer, C. D. Polymer Chemistry 11 (3) (2020) 184-219.

17:10: [RecyclingMonPM212] OS
Ordered Structures Formation in Multicomponent Polysaccharide Systems; Effect of Graphene Oxide
Ivan Kelnar¹ ; Alexander Zhigunov² ; Jiří Dybal² ; ¹, Prague, Czech Republic; ²Institute of Macromolecular Chemistry, Czech Academy of Sciences, Prague, Czech Republic;
Paper Id: 161 [Abstract]

Numerous studies indicate fair ability of water soluble polysaccharides including their blends and nanocomposites to form organized structures in solutions and gels [1]. E. g., fibrillar structure and network formation was found in aqueous solutions and gels of methylcellulose (MC) while even thermo-reversible fibrillation of MC/cellulose nanocrystal-based hydrogels was found [2]. Surprisingly, formation of these structures in rigid polysaccharides (mostly films) and their impact on mechanical performance were reported less frequently. The presented study deals with an unknown unexpected effect of 2-hydroxyethylcellulose (HEC) on structure and mechanical performance of methylcellulose (MC) films. This leads to synergistic as well as antagonistic effects [3] on mechanical performance in dependence on modifiers content and ratio. The values of modulus of MC containing 5 and 10 % HEC exceed those of the linear model, which indicates synergistic effect consisting in formation of ordered structures. At the same time, higher content of HEC leads to worse properties indicating dominant contribution of its lower parameters. In spite of absence of direct insight into the structure, combination of XRD, polarized light microscopy and rheology indicates a high effect of small content of HEC on formation of favorable ordered structures and a slight hindering effect of GO on this process. Rheological evaluation indicates ability of HEC to support formation of ordered structures in MC also in water-solution. Important result is that unlike high reinforcing effect of low graphene oxide (GO) content on single MC and HEC components, its presence in blends decreases mechanical properties as a result of disturbing of HEC-induced structural transformations. Further unexpected feature is that negative effects of higher HEC content on mechanical performance are enlarged by GO. The results confirm complex effect of blending and GO on structure and properties of the MC/HEC system.

References:
1. Dogsa, I., Cerar, J., Jamnik, A.,& Tomšič, M. (2017). Supramolecular structure of methyl cellulose and lambda- and kappa-carrageenan in water: SAXS study using the string-of-beads model. Carbohydrate Polymers, 172, 184–196.
2. Hynninen, V., Hietala, S., McKee, J. R., Murtomäki, L., Rojas, O. J., Ikkala, O., Nonappa. (2018). Inverse Thermoreversible Mechanical Stiffening and Birefringence in a Methylcellulose/Cellulose Nanocrystal Hydrogel. Biomacromolecules, 19, 2795–2804.
3. Kelnar, I., Zhigunov, A., Kaprálková,L., Krejčíková, S., Dybal, J. (2020) Synergistic effects in Methylcellulose/ Hydroxyethylcellulose blend: Influence of components ratio and graphene oxide Carbohydrate Polymers 236, Art. Nr. 116077

SESSION: RecyclingMonPM3-R5	Kolomaznik International Symposium (8th Intl. Symp. on Sustainable Materials Recycling Processes & Products)
Mon. 28 Nov. 2022 / Room: Arcadia 2
Session Chairs: Dagmar Janacova; Session Monitor: TBA

17:50: [RecyclingMonPM313] OS
Thermo-oxidative reclamation of ground tire rubber as potential reinforcement in green tires
Adeel Hassan¹ ; ¹Shanghai Jiao Tong University, Shanghai, China;
Paper Id: 157 [Abstract]

Considering the balance between rapidly growing global tire demand and scarcity of natural resources, recycling and reclaiming techniques of tire rubber have become the state of the art. Herein, we set out to implement a self-designed thermo-oxidative reactor for the exfoliation of carbon black (CB) from ground tire rubber, which is efficiently functioned under a thermo-oxidative reclaiming condition without any additive. The exfoliation of CB from rubber vulcanizate was realized by scission of main chain, and of cross-linked network. The degree of scission was discussed through gel permeation chromatography and using Horikx theory. Sol fraction tremendously increased to 66.0 % after thermo-oxidative reclamation at 200 ºC for 20 min. Thermo-oxidative scission underwent through the oxidative cleavage of main chain, and of sulfur cross-links, proved by Fourier transform infrared spectroscopy. The ultrafine exfoliation of CB from rubber proved by field emission scanning electron microscopy. The exfoliation was further improved by two roll milling. Exfoliated rubber was incorporated within tire rubber composites as a reinforcing material due to the core-shell structured CB, which was observed with increased effects to the rubber composites. This work presents a potential contribution to the industrial recycling for future applications and to control the pollution of waste tires.

SESSION: RecyclingTueAM-R5	Kolomaznik International Symposium (8th Intl. Symp. on Sustainable Materials Recycling Processes & Products)
Tue. 29 Nov. 2022 / Room: Arcadia 2
Session Chairs: Juergen Antrekowitsch; Session Monitor: TBA

11:30: [RecyclingTueAM01] OS
Look for Long Term Solutions for the Bayer Red Mud Problem: an Industrial Ecology Approach
Paulo Von Kruger¹ ; ¹MVK Consultoria e Treinamento, Belo Horizonte, Brazil;
Paper Id: 165 [Abstract]

Waste generation is an unavoidable consequence from any industrial process. Among these wastes, the red mud, generated by the Bayer process in alumina refining, is one of the most challenging wastes in metallurgy, due to its caustic nature, combined with the vast quantities in which it is produced. Historically, the method of managing red mud is to store it in containment ponds, but this approach is far from perfect. However, economically viable commercial processes for the recovery and the reuse of it are not yet available. Industrial Ecology conceptualizes industry as a man-made ecosystem that operates in a similar way to natural ecosystems, where the waste or by product of one process is used as an input into another process. Industrial ecology interacts with natural ecosystems and attempts to move from a linear to cyclical or closed loop system. On this approach, Industrial Ecology seeks to emulate mature ecological systems in order to reduce environmental impacts through maximized efficiency of energy and resource inputs and the minimization of unutilized waste. Through these initiatives, industry has found ways to increase efficiency and turn waste into useful products. In this paper, this approach is proposed as a case study that put together a hypothetical, but typical, alumina refinery and a non-integrated ironmaking plant as the core of an industrial complex. In it, effluents of one plant are inputs to the other, leading to the total consumption of the red mud generated. Complementarily, some other selected side industries are included, and will constitute, together with the core plants, the proposed Industrial Ecology Complex. As will be shown, the main goal is towards the zero waste generation from the Complex. It must be pointed out that the figures presented in this work are hypothetical, but coherent to those from actual plants. For that, any apparent similarity to existing plants wouldn’t be but a coincidence.

References:
[1] da Costa, M. M.; D.Sc Thesis: Princípios de Ecologia Industrial Aplicados à Sustentabilidade Ambiental e aos Sistemas de Produção de Aço [Rio de Janeiro] 2002 XIV, 257 p. 29,7 cm (COPPE/UFRJ),
[2] Mombelli, Davide & Barella, Silvia & Gruttadauria, Andrea & Mapelli, C.. (2019). Iron Recovery from Bauxite Tailings Red Mud by Thermal Reduction with Blast Furnace Sludge. Applied Sciences. 9. 4902 10.3390/app9224902.
[3] Dmitriev, A.. (2018). The Comprehensive Utilisation of Red Mud Utilisation in Blast Furnace. 10.5772/intechopen.80087.
[4] Trushko, V.L., Utkov, V.A. & Sivushov, A.A. Reducing the environmental impact of blast furnaces by means of red mud from alumina production. Steel Transl. 47, 576–578 (2017).

11:55: [RecyclingTueAM02] OS
Assessment of By-products from Metal Producing Industry – Development of a Certification Procedure and Case Study “Dust from Secondary Copper Industry”
Gustav Hanke¹ ; Juergen Antrekowitsch² ; ¹University of Leoben, Leoben, Austria; ²Christian Doppler Laboratory, Leoben, Austria;
Paper Id: 78 [Abstract]

<p>Every year, millions of tons of by-products from the metal producing industry are dumped as waste and this amount is continuously rising. As these by-products often contain considerable amounts of valuable metals, a huge quantity of potential metal resources is lost. Not only the loss of value, but also the aspect of environmental care suggests a treatment of this material as it is very often problematic in this regard. The reasons for not treating these residues are very diverse. Two main reasons are: firstly, there is no evaluation procedure available as it is for primary resources (causing little confidence and reliability for investments) and secondly, the lack of applicable technologies. A competence network involving Montanuniversität Leoben and numerous partners from industry was formed in order to treat this topic. The project consists of three areas: characterization and evaluation, process development and optimization, as well as the development of an evaluation procedure for secondary resources. The first two areas represent all steps beginning at the first characterisation of an unknown residue to the treatment in terms of mineral processing and metallurgy, process optimization and a final product and its optimization. In the third area, all of the experience gained is combined and used to develop a procedure that guarantees a serious evaluation of secondary resources. Such a procedure, as it is already in worldwide use for primary resources, will give companies and investors a reliable base for treating such materials. Until now, many different materials, such as steel mill dust, lead slag and hydrometallurgical residues from zinc production have been evaluated and treated successfully up to technical scale. The results are partly already published [1, 2]. As another case study, this paper summarizes the investigations and test results of dust from secondary copper industry. These dusts often contain considerable amounts of zinc, lead, tin and copper [3]. The main methods used are standard techniques such as scanning electron microscopy, electron microprobe analysis and X-ray fluorescence analysis. Besides the characteristics of this residues, a proposal for its metallurgical treatment will be presented as well.</p>

References:
<p>[1] G. Hanke &amp; J. Antrekowitsch, Characterisation and pyrometallurgical recycling of jarosite type residues out of zinc primary metallurgy. - World of Metallurgy &ndash; Erzmetall 71.1 (2018) [2] W. Schatzmann &amp; J. Antrekowitsch, Wastes: Solutions, Treatment and Opportunities (2019) [3] O. Rentz, M. Krippner, S. H&auml;hre, Report on Best Available Techniques in German Copper Production, University Karlsruhe (1999)</p>

12:20: [RecyclingTueAM03] OS
Ionic liquids as opportunity in the industrial development of eco-friendly processes for metal recycling : example of tantalum, palladium and gold from printed circuit boards
Stephane Pellet Rostaing¹ ; ¹ICSM, Bagnols sur Cèze, France;
Paper Id: 110 [Abstract]

Strategic, critical or high-tech metals are indispensable ingredients for the development of technologically sophisticated products. Modern cars, flat-screen televisions, mobile phones, and countless other products rely on a range of materials, such as cobalt, lithium, PGM’s, tantalum, tungsten, gold, gallium and more particularly REE. This group of high-tech metals is also fundamental to new environmentally friendly products, with electric cars requiring lithium and neodymium, turbine wind with neodymium and dysprosium, high performance aluminium alloys, lighting or hard ceramics requiring scandium, and computer/mobile phones with tantalum, gold, palladium and rare earths. To meet the challenges of dwindling resources and the growth of needs, as well as in a perspective of a secure supply approach, three options are considered today based on the extraction of metals from primary resources (old mines or new deposits), from secondary resources (mining and industrial wastes) or from end of life materials (urban mine). Understanding this challenges facing strategic metals supply today requires consideration not only of the sources (whether from mines or waste streams), but of the development of eco-friendly and always more efficient processes. Here, we propose a process based on the use of ionic liquids such as N-butyl-N-ethyl-piperidinium bis(trifluoromethylsulfonyl)imide (EBPiP-NTf2), N-octyl-N-ethyl-piperidinium bis(trifluoromethylsulfonyl)imide (EOPiP-NTf2) for the extraction and the recovering of tantalum, palladium and gold initially contained in the capacitors and connectors of printed circuit boards [1-3]. The perfect extractability of ILs for Ta, Au and Pd was demonstrated and under the experimental conditions, the more promising properties have been highlighted for EOPiP-NTf2. Back extraction of Ta followed by precipitation with an ammonia solution or direct electodeposition from the loaded ionic liquid phase was also performed and showed that quantitative recovery of metals was possible, allowing thus to recover the Ta, Pd and Au, and to recycle the ionic liquid.

References:
[1] G. Arrachart, R. Turgis, M. Lejeune, M. Draye, S. Michel, S. Legeai, S. Pellet-Rostaing ACS Sustainable Chemistry & Engineering 8 (2019) 1954-1963.
[2] Raphaël Turgis, Guilhem Arrachart, Stéphane Pellet-Rostaing, Micheline Draye, Sophie Legeai, David Virieux, Faidjiba Loe-Mie, FR1557636A, WO2017025547A1.
[3] G. Arrachart, M. Draye, M. Lejeune, S. Legeai, S. Michel, S. Pellet-Rostaing, C. Thomas, R. Turgis. FR. 20 00667

12:45: [RecyclingTueAM04] OS Keynote
New Recycling Technology of Used Li-ion Batteries using Li Separation Method by Ionic Conductor; LiSMIC
Tsuyoshi Hoshino¹ ; ¹National Institutes for Quantum and Radiological Science and Technology (QST), Rokkasho-mura, Kamikita-gun, Japan;
Paper Id: 39 [Abstract]

The world is increasingly turning to the use of Li-ion batteries in electric vehicles; therefore, there is a growing need for lithium (Li). I propose new method for recovering Li from used Li-ion batteries by using Li separation method by ionic conductor; LiSMIC. Li ionic conductor is functioned as a Li separation membrane. This innovative LiSMIC involves the use of an Li separation membrane whereby only Li ions in a solution of used Li-ion batteries permeate from the positive electrode side to the negative electrode side during electrodialysis; the other ions, including Co, Al, and F, do not permeate the membrane. Li0.29La0.57TiO3 (LLTO) was selected as the Li separation membrane. The positive side of the dialysis cell was filled with used Li-ion battery solution, and then the negative side was filled with distilled water. In this study, the platinum (Pt) electrodes are bonded to the right and left faces (the two main faces) of the LLTO, respectively. The applied dialysis voltage was 5 V, and the electrode area was 16 cm2 and 4 cm2 as new Li separation membrane. The Li recovery ratio increased with LiSMIC time. Furthermore, Li permeation speed was not depended on the electrode area, and I succeeded in the development of new Li separation membrane with small area electrode. After LiSMIC, the Li recovery water was bubbled by CO2 gas to produce lithium carbonate (Li2CO3) as a raw material for Li-ion batteries. The high purity Li2CO3 powder was easily generated under CO2 gas bubbling method. Thus, LiSMIC is most suitable for the Li recycling of used Li-ion batteries.

References:
[1] T. Hoshino, Desalination, 2015, 359, 59-63.

SESSION: NonferrousTuePM1-R5	8th Intl. Symp. on Sustainable Non-ferrous Smelting & Hydro/Electrochemical Processing
Tue. 29 Nov. 2022 / Room: Arcadia 2
Session Chairs: TBA Session Monitor: TBA

14:00: [NonferrousTuePM105] OS Plenary
Reducing agents from biomass – an environmentally friendly solution for metallurgical processes
Juergen Antrekowitsch¹ ; Gustav Hanke² ; ¹Chair of Nonferrous Metallurgy, University of Leoben, Leoben, Austria; ²University of Leoben, Leoben, Austria;
Paper Id: 81 [Abstract]

<p>The industrial sector “metal production” is still one of the biggest emitters of fossil based anthropogenic carbon dioxide. While carbon carriers are often used as source of energy, also the chemical process, the reduction, in many cases requires carbon. [1] Examples are various shaft furnace technologies, rotary kilns, rotary hearth furnaces etc. Especially iron industry as well as zinc and copper recycling, lead and tin metallurgy and others consume huge amounts of carbon for reduction. Fresh biomass contains far too many volatiles and does not offer appropriate mechanical properties. Also standard pyrolysis produces a type of charcoal, which is still too reactive because of remaining volatiles and high porosity. The Chair of Nonferrous Metallurgy, Montanuniversitaet Leoben, has started to develop special charcoals out of various types of wood based biomass that offer characteristics which are closer to the one of metallurgical coke than common charcoals. These reducing agents were tested for zinc recycling in rotary kilns as well as in molten slags for other recycling processes. The tests done in lab- and technical scale showed promising results regarding a possible replacement of fossil carbon carriers by special pyrolyzed biomass. The paper describes advantages and disadvantages of the utilization of biomass in the above mentioned field. Furthermore, availability and differences in the quality of wooden biomass with focus on metallurgical application is discussed as well as the utilization of the generated pyrolysis gas [2, 3]. In general, it can be summarized that the use of special pyrolyzed biomass as reducing agent for different metallurgical processes is possible from the technical point of view and can contribute to minimize the CO2-emission from fossil carbon carriers. Especially in times of high CO2-credit prices such concepts for metal production can be also realized economically.</p>

References:
<p>[1] IEA - International Energy Agency: CO2 Emissions from fuel combustion - Highlights. http://www.iea.org/publications/freepublications/publication/CO2EmissionsFromFuelCo mbustionHighlights2014.pdf [2] Agirre Arisketa I., T. Griessacher, G. R&ouml;sler und J. Antrekowitsch: Production of charcoal as an alternative reducing agent from agricultural residues using a semi-continuous semi-pilot scale pyrolysis screw reactor. Fuel Processing Technology 106 (2013), 114-121 [3] R&ouml;sler G. und J. Antrekowitsch: Special designed charcoal for an environmental friendly heavy metal recycling. Proc. of the Annual World Conference of Carbon (2013), Rio de Janeiro, Brazil</p>

14:25: [NonferrousTuePM106] OS
FLOGEN CONTOP – AN INTEGRATED DESIGN, DECISION-MAKING, CONTROL, OPTIMIZATION AND AUTOMATION SYSTEM FOR PIERCE SMITH CONVERTERS COUPLED WITH RAW MATERIALS MANAGEMENT
Florian Kongoli¹ ; Marcos De Souza² ; ¹FLOGEN Technologies, Mont-Royal, Canada; ²FLOGEN Technologies Inc, Sao Paulo, Brazil;
Paper Id: 551 [Abstract]

FLOGEN Technologies Inc. has developed an integrated Design/Decision-Making/Control/Optimization/Automation System for Pierce Smith Converters (offline and on-line) that combines several needs on supply side (in origin and from previous reactors), on production side, on metal sales side and on financial side. It supports cost prediction and cost follow up on the energy and consumables side and is integrated with databases that manages numerous types of essays. The system instantaneously makes a complete optimization of all raw materials, including limestone, silica, enriched air volumes etc, to achieve specific targets according to the needs of the company. The results indicate the possibility to decrease the amount of silica used as a flux, minimize the slag and copper blowing time, maximize the use of reverts, minimize slag volume, and decrease copper losses in the slag. The system finds the optimum of the charge among various scenarios while the main process parameters (such as bath temperature, sulfur content in the blister and copper in the slag) are calculated during the operation, providing a clearer overview of the process, and supporting the determination of slag and copper blowing end point. The presentation will describe some of these achievements. CONTOP system was also successfully used to determine the annual procurement strategies by predicting various raw material cost-based scenarios related to productivity and fuel consumption in short- and long-term future. CONTOP increased productivity and reduced cost up to the highest designed limit of the technology. CONTOP also changed the way of operating from a reactive wait-the-lab-results-approach to a proactive forecast-and-act approach.

14:50: [NonferrousTuePM107] OS
Calcined Clay Blended Cements For Sustainable Cement Production
Ran Li¹ ; Marlene Schmid¹ ; Aleksandar Jaglicic¹ ; Tongbo Sui² ; Johann Plank³ ; ¹Technical University of Munich (TUM), Garching, Germany; ²Sinoma Int’l & Sinoma Research Institute, Chaoyang District, Beijing, China; ³Technical University of Munich, Garching, Germany;
Paper Id: 141 [Abstract]

This paper presents that the CO₂ footprint of cement can be reduced significantly by blending Portland cement clinker with thermally activated (calcined) clays (CCs). Investigations on pure meta phases obtained via calcination of kaolin, montmorillonite, illite and muscovite reveal that they increase water demand and decrease workability of the cement. The effect depends on fineness and internal porosity of the calcined clay and the chemical composition of the native clay, with illite and kaolin behaving much less favorably than montmorillonite or muscovite. A comparison of three industrial calcined samples of mixed layer clays originating from natural clay deposits in Germany, India and China confirmed the increased water demand of composite cements holding up to 40 wt. % of these calcined clays. The increase in water demand correlates well with the amorphous part and the content of meta kaolin in the calcined mixed layer clay. For one sample holding ~ 50 % meta kaolin, an increase in superplasticizer dosage of ~ 400 % as compared to neat OPC was recorded. Whereas, a high content of meta kaolin proved to be favorable with respect to early strength development as a result of its high pozzolanic reactivity. It can be concluded that calcined clays offer the potential of significant CO₂ reduction in cement manufacture, however this comes at the price of higher admixture dosages for superplasticizers. Still, a substantial savings in CO₂ emission can be realized, and the cement industry can progress into an era of more eco-friendly binders.

References:
K. Scrivener, F. Martirena, S. Bishnoi, S. Maity, Calcined clay limestone cements (LC3), Cem. Concr. Res. 114 (2018) 49–56.\nS. Ferreiro, D. Herfort, J.S. Damtoft, Effect of raw clay type, fineness, water-tocement ratio and fly ash addition on workability and strength performance of calcined clay – Limestone Portland cements, Cem. Concr. Res. 101 (2017) 1–12.\nT. R. Muzenda, P. Hou, S. Kawashima, T. Sui, X. Cheng, The role of limestone and calcined clay on the rheological properties of LC3, Cem. Concr. Compos. 107 (2020), 103516.\nR. Fernandez, F. Martirena, K.L. Scrivener, The origin of the pozzolanic activity of calcined clay minerals: A comparison between kaolinite, illite and montmorillonite, Cem. Concr. Res. 41 (2011) 113–122.\nS. Krishnan, A.C. Emmanuel, S. Bishnoi, Hydration and phase assemblage of ternary cements with calcined clay and limestone, Constr. Build. Mat. 222 (2019) 64–72.

15:15: [NonferrousTuePM108] OS
Towards carbon negative: the potential of biochar concrete as a sustainable and resilient construction material
Harn Wei Kua¹ ; ¹National University of Singapore, Singapore, Singapore;
Paper Id: 318 [Abstract]

In recent years, the “greening” of cement and concrete has taken on a different path with a sharper focus on reducing carbon footprint while enabling companies and countries to benefit from carbon credits. It is only in 2012 that the first academic paper on the use of biochar – the solid by-product of pyrolysis or gasification – was published. In the following 9 years, biochar concrete has taken an upward trajectory in terms of academic research and commercial consideration. Two of the key reasons accounting for this popularity are that biochar is potentially a carbon negative material from the life-cycle accounting perspective [1], and that biochar is a widely available material that has primarily been used in agriculture (for soil enhancement) and for water purification. This talk aims to demystify the near-decade long development of this young field of research, and summarize the key milestones in the growth path of this sustainable construction material. The different technical ideas and scientific technique used to achieve these milestones will be elaborated. For example, it was found that coating polypropylene fibers with biochar, and deploying these fibers to reinforce mortar, decreases water sorptivity of the mortar by about 44%, and water penetration by about 62%. Correspondingly, it increases 7-day and 28-day compressive strength by about 11% and 4.3% respectively [2]. When biochar was deployed evenly in the mortar mix without any fibers, biochar reduces water penetration by about 58.8% and increases 7-day compressive strength by about 13.8% [3]. Methods used for these studies include ASTM C1585-04 (Standard Test Method for Measurement of Rate of Absorption of Water by Hydraulic-Cement Concretes) and different characterization methods, such as Fourier Transform Infrared analysis for studying the surface chemical species found on biochar, and Brunauer-Emmett-Teller method for measuring pore size distribution of mortar samples containing different quantities of biochar. These efforts have created several important areas of research, including the potential of using biochar as a mean of enhancing accelerated carbonation curing of concrete; that is, using biochar to increase the total amount of CO₂ that can be removed from the atmosphere through the process of carbonation of the calcium hydroxide and calcium silicate hydrate found in curing mortar mixture [4]. Latest evidence for the effectiveness of specially made biochar in improving electromagnetic wave (GHz) shielding of mortar tiles and application of biochar concrete under extreme environmental conditions (for example, using biochar to reduce the infusion of sulfate and chloride ions into mortar submerged in aqueous medium [5], and for increasing the “crack-resistance” of concrete operating under high temperature [6]) will also be presented. This talk will end by boldly charting the future directions of biochar concrete and how it can continue to stay abreast and relevant, by addressing some of the most challenging sustainability-related problems facing the construction industry the world over.

References:
[1] Roberts K.G., Gloy B.A., Joseph S., Scott N.R., Lehmann J., Life cycle assessment of biochar systems: estimating the energetic, economic, and climate change potential, Environ. Sci. Technol. 44 (2) (2009) 827–833.
[2] Gupta, S., Kua, H.W. and Cynthia, S.Y.T., 2017. Use of biochar-coated polypropylene fibers for carbon sequestration and physical improvement of mortar. Cement and Concrete Composites, 83, pp.171-187.
[3] Gupta, S., Kua, H.W. and Low, C.Y., 2018. Use of biochar as carbon sequestering additive in cement mortar. Cement and concrete composites, 87, pp.110-129.
[4] Gupta, S., Muthukrishnan, S. and Kua, H.W., 2021. Comparing influence of inert biochar and silica rich biochar on cement mortar–Hydration kinetics and durability under chloride and sulfate environment. Construction and Building Materials, 268, p.121142.
[5] Gupta, S., 2021. Carbon sequestration in cementitious matrix containing pyrogenic carbon from waste biomass: A comparison of external and internal carbonation approach. Journal of Building Engineering, 43, p.102910.
[6] Gupta, S. and Kua, H.W., 2020. Application of rice husk biochar as filler in cenosphere modified mortar: preparation, characterization and performance under elevated temperature. Construction and Building Materials, 253, p.119083.

SESSION: NonferrousTuePM2-R5	8th Intl. Symp. on Sustainable Non-ferrous Smelting & Hydro/Electrochemical Processing
Tue. 29 Nov. 2022 / Room: Arcadia 2
Session Chairs: Harn Wei Kua; Session Monitor: TBA

15:55: [NonferrousTuePM209] OS Keynote
Climate Change: Consequences for the Global Construction Industry
Johann Plank¹ ; ¹Technical University of Munich, Garching, Germany;
Paper Id: 325 [Abstract]

In Europe, construction including heating & coaling of buildings amounts for 40 % of total CO2 emission and hence presents by far the largest source of CO2 release. Globally, a similar situation exists. The paper presents current steps in the construction industry to dramatically reduce its CO2 footprint which include: 1) Migrate to low or zero carbon binders by replacing Portland cement clinker with calcined clay, slag etc. Currently, cement manufacture accounts for ~ 8 % of total global CO2 emission, just behind coal, oil and gas. 2) Capture CO2 released in cement plants and utilize for concrete hardening or dispose on CCS wells. 3) Identify CO2 stable new cements which can be used on CCS wells 4) Make highly effective thermal insulation materials mandatory on buildings. 5) Introduce concepts for mega cities to avoid unnecessary heat-up by having plants on facades, roofs, etc. to provide a sun shelter and absorb CO2. 6) Switch from heating using fossil fuel to “green” energy including solar, geothermal and wind energy. 7) Discourage the use of wood in construction, as we need more trees as a natural sink for CO2. These measures require a complete reset of our current construction processes and will result in a huge transformation of this industry.

16:20: [NonferrousTuePM210] OS Plenary
NATURAL RESOURCES AND MINERAL PROCESSING TECHNOLOGIES: CURRENT STATUS &amp;amp; FUTURE PROSPECTS
Ganzorig Chimed¹ ;⁰ ; ¹Center for Nanoscience and Nanotechnology at the National University of Mongolia, Ulaanbaatar, Mongolia;
Paper Id: 524 [Abstract]

Globally, we have established the sustainable development aim with an emphasis on social inequities reduction, economic growth, and the security of food, water, energy, and the environment as well as against global warming and climate change.
Coal is one of essential resources to provide economic and energy demands of Mongolia. Hence, a transition to clean innovative coal technologies that reduce CO2 emissions is urgently needed in order to satisfy global environmental requirements as well as to achieve sustainable economic growth and energy security of Mongolia. Clean coal technologies including pyrolysis, gasification, and chemical catalytic conversions, can process coal at molecular level and convert it into high efficiency electricity, hydrogen, synthetic natural gas, liquid fuels and various kinds of chemical products [1].
Furthermore, mining and mineral processing plants have been developed as a leading sector of the economy, production that uses natural resources dominates, and the amount of waste and piles increases every year, causing some environmental and social issues. In Mongolia, 54.4-56.2 million tons of waste generates annually from the processing plant of Erdenet and Oyutolgoi companies, which produce copper concentrate, continue to accumulate in tailings storage facility.
Accumulated waste has a unique mineral compositions and has the potential to become a source of various minerals, from which non-ferrous and rare precious metals, construction materials (sand, gravel, clay, sorghum, etc.) can be used. The practice of separating non-ferrous and rare metals into concentrates or pure metals by special enrichment methods is entering the industry. More recently, Mongolia has built its first-ever European high-tech metal powder plant, with annual capacity of 3,000 tons of powders of copper, brass, bronze, tin, and other metals [2].
Approximately 3 million tons of rare earth elements reserves have been determined in Mongolia, which accounts for 2.5% of the world's reserves. It is necessary to approve and implement the "Rare Earth Elements" National Program in Mongolia [3].
In the future, the rapid development of the modern industries in the form of "Coal-chemical complex", “Steel production complex”, and “Metallurgical complex” megaprojects as well as “Science and industrial parks” based on the global market is the effective and the progressive in many ways.

References:
[1] B. Chinzorig, R. Seddorj, T. Daariimaa, “Coal Mongolia-2022” International Coal Trade and Investment Conference, Ulaanbaatar, Mongolia, September 7, 2022, in press.\n[2] J. Batbaatar, J. Erdenezul, Proceedings of “The First International Conference on Natural and Biological Resources Technologies”, Ulaanbaatar, Mongolia, September 29-30, 2022, in press.\n[3] D. Enkhbat, Y. Majigsuren, M. Dolgor, “The 6th International Conference on Mineral Processing”, Proceeding book, Ulaanbaatar, Mongolia, October 21, 2022, in press.

16:45: [NonferrousTuePM211] OL Keynote
Research Progress on Mining with Backfill Technology of Underground Metalliferous Mine
Lijie Guo¹ ; ¹University of Toronto, Toronto, China;
Paper Id: 495 [Abstract]

Mining with backfill has been used extensively in underground metal mines which is an important way to conduct the green and low-carbon mining operation. Backfill technologies can achieve both the maximum recovery ratio of underground mineral resources and the environment friendly disposal of mining wastes. This paper systematically reviews the recent development of mining with backfill methods, and the new technology application progresses were introduced from three aspects: high-efficiency and large-scale mining with backfill, continuous mining with backfill methods and how to reduce backfill costs in underground mining. Then the evolution and development of the mining technologies with backfill used in metal mine were introduced. The application and development trends of the whole process of backfill technology covering the preparation and transportation of tailings slurry, barricades design and the drainage of backfill slurry in the stope were analyzed. The mechanism of heterogeneous characteristics and self-weight consolidation behavior of tailings backfill slurry were analyzed, and comparisons between the traditional methods used for strength require-ment design of the backfill structure and the improved strength calculation-design methods for backfill in mine stopes were made. In addition, the in-situ monitoring methods of the backfill slurry to assess the field backfill quality were introduced. Based on the above research, it was obtained that the revolution of mining with backfill methods was the crucial path to achieve high-efficiency, large-scale and low-cost underground mining. The innovations on key points in the whole process of mine backfill were necessary measures for the stable preparation and utilization of high-quality underground backfill slurry. Most importantly, an in-depth study on the backfill mechanics of different mining methods was essential to ensure a safe, green, economical, and convenient application of mining with backfill. In the end, the research aspects and directions that should be focused on in the future were clarified. And the brief statement that accelerating the development of new technologies, new materials and new equipment for green and low-carbon backfill was the driving forces to promote the transformation and development of mine backfill was given.

17:10: [NonferrousTuePM212] OS
INVESTIGATION OF SELECTIVE DISINTEGRATION FEASIBILITY OF GOLD-BEARING ORES
Nadezhda Nikolaeva¹ ; Tatyana Aleksandrova² ; ¹National mineral resources university, St. Petersburg, Russian Federation; ²National Mineral Resources University, Sain-Peterburg, Russian Federation;
Paper Id: 356 [Abstract]

New ore-processing plant projects often face problems in processing more complex and fine-grained minerals, resulting in additional costs and lengthening the crushing and grinding schemes to sufficiently unlocking. This trend could lead to an increase in energy consumption by a factor of 4 or more by 2030 compared to today. Already today about 2% of the electricity produced worldwide is used for this purpose. Thus, reduction of specific electric power consumption in processes of disintegration and enrichment of mineral raw materials is the actual task, taking into account the tendency to economy of natural resources, and also decrease impact on environment at processing of mineral raw materials [1-2]. One of decision way of problem is selective disintegration. A reasonable application of selective disintegration would not only allow the rock mass to be broken down to the required size, but also preconcentration at the classification stage to produce a pre-concentrate and to discharge the waste rock to the tailings [3-4]. Gold ores from the Bamskoe deposit were chosen as the object of study. Analysis of the material and chemical composition was carried out using atomic absorption, X-ray fluorescence method (Shimadzu EDX-7000). For mineralogical studies, optical methods of analysis, electron microscopy etc. were used in the work. Morphometric indicators were studied using computed tomography (SkyScan-1173 microtomograph). Experimental investigations were carried out on various installations: jaw crusher, roller crusher, impact crusher, ball mill, JK Drop Weight tester, Bond impact test, Bond ball and rod mill, Mastersaizer laser diffractometer, etc. Based on the strength and disintegration test data on mineralogical, textural and structural and physical properties of the minerals and on studies of ores crushing from the Bamskoe deposit in different types of crushers, it was found that rock-forming minerals are concentrated in large classes, especially in product of impact crushers (up to 81.85% of silica minerals in class - 4 + 2 mm). Based on the data obtained on testing of strength properties and disintegration indices from mineralogical, textural and structural and physical-technological properties of minerals and studies conducted on crushing ores of the Bamsky deposit in different types of crushers, it was found that the products of all crushers are characterised by a predominance of -4+2 mm class. As silica-minerals are the main rock-forming minerals, it was decided to look at the distribution of Si by size classes. In analysing the distributions of silica minerals, it was found that the extraction of silica minerals was maximised for the -4+2 mm grain size class. However, the impact crusher products are characterised by the highest recovery of silica minerals in this class (up to 81.85%). These results suggest that the impact crusher at the crushing stage can selectively break down this type of mineral at the fusion boundaries. This work was supported by the Russian Science Foundation (Рroject No. 19–17–00096).

References:
[1] Aleksandrova, T. N., Nikolaeva, N. V., Lvov, V. V., & Romashev, A. O. (2019). Ore processing efficiency improvements for precious metals based on process simulations. Obogashchenie Rud, 2019(2), 8-13. doi:10.17580/or.2019.02.02.
[2] Morrell,S., 2008, A method for predicting the specific energy requirement of comminution circuits and assessing their energy utilisation efficiency, Minerals Engineering, Vol. 21, No. 3. [3] Hopunov E. A. Selective destruction of mineral and anthropogenic raw materials (in beneficiation and metallurgy). - Yekaterinburg: UIPC LLC, 2013. - 429 p.
[4] Hesse, M., Popov, O., & Lieberwirth, H. (2017). Increasing efficiency by selective comminution. Minerals Engineering, 103-104, 112-126. doi:10.1016/j.mineng.2016.09.003.

SESSION: NonferrousTuePM3-R5	8th Intl. Symp. on Sustainable Non-ferrous Smelting & Hydro/Electrochemical Processing
Tue. 29 Nov. 2022 / Room: Arcadia 2
Session Chairs: Ganzorig Chimed; Session Monitor: TBA

17:50: [NonferrousTuePM313] OS
MECHANICAL AND DURABILITY EVALUATION OF CONCRETE PREPARED WITH RECYCLED AGGREGATE AND TREATED WASTEWATER
Sara Ahmed¹ ; Yazan Alhoubi¹ ; Nouran Elmesalami¹ ; Sherif Yehia¹ ; Farid Abed¹ ; ¹American University of Sharjah, Sharjah, United Arab Emirates;
Paper Id: 311 [Abstract]

Conservation and reuse of natural resources in the construction industry are becoming crucial to maintain sustainable and environmentally friendly construction. The use of recycled aggregates (RA) and treated wastewater (TWW) in concrete has been widely studied in the literature over the past years. It has already been shown that replacing 20% to 30% of natural aggregates with RA and replacing TWW with tap water have negligible effects on the mechanical and durability properties of concrete [1-4]. However, only a limited number of studies were conducted to study the combined effect of using RA and TWW combined in concrete. In a study conducted by Tenjhay et al. [5], it was concluded that the use of RA and TWW combined in concrete is possible after additional research is conducted to study the durability. Therefore, the main aim of this study was to evaluate the mechanical properties and durability characteristics of concrete developed using 20% recycled aggregate and secondary treated wastewater subjected to different exposure conditions of tap water, treated wastewater, and salt water. Overall, the results showed that the use of 20% RA and TWW is only substantial on mechanical properties when concrete is exposed to either TWW or SW. The durability results on the other hand showed that all the mixes were considered durable in terms of chloride ion penetration (RCPT & resistivity results), however, additional tests are necessary to precisely study the impact of different variables on concrete durability.

References:
[1] N. A. Abdulla, “Effect of recycled coarse aggregate type on concrete,” J. Mater. Civ. Eng., 2015, doi: 10.1061/(ASCE) MT.1943-5533.0001247.\n[2] S. B. Huda and M. Shahria Alam, “Mechanical and freeze-thaw durability properties of recycled aggregate concrete made with recycled coarse aggregate,” J. Mater. Civ. Eng., 2015, doi: 10.1061/(ASCE)MT.1943-5533.0001237.\n[3] A. H. Noruzman, B. Muhammad, M. Ismail, and Z. Abdul-Majid, “Characteristics of treated effluents and their potential applications for producing concrete,” J. Environ. Manage., 2012, doi: 10.1016/j.jenvman.2012.05.019.\n[4] M. K. J. Kucche, S. S. Jamkar, and P. A. Sadgir, “Quality of Water for Making Concrete:A Review of Literature,” Int. J. Sci. Res. Publ., vol. 5, no. 1, 2015, Accessed: Apr. 06, 2020. [Online]. Available: http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.663.5503&rep=rep1&type=pdf. \n[5] M. G. Ramírez-Tenjhay, A. B. Vázquez-González, J. M. Gómez-Soberón, and F. G. Cabrera-Covarrubias, “Total replacement of recycled aggregate and treated wastewater: concrete recycling in extremis,” J. Sustain. Archit. Civ. Eng., 2016, doi: 10.5755/j01.sace.15.2.15464.

18:15: [NonferrousTuePM314] OS
Synthesis of green cement from incinerator residues and carbonation activation
Yixin Shao¹ ; Zaid Ghouleh² ; ¹Civil Eng Department, McGill University, Montreal, Canada; ²McGill University, Montreal, Canada;
Paper Id: 183 [Abstract]

Municipal solid waste incineration (MSWI) is a widely implemented waste management option. Although MSWI reduces waste volume by 90%, it generates considerable incinerator residues, namely, bottom ash and fly ash – the latter posing a greater challenge on account of containing leachable heavy metals, chlorides, and organic contaminant. On the other hand, the bulk of the fly ash’s composition makes it a rich mineral source for silica and lime, and potentially well suited as a raw meal in cement production. This paper presents a study on the feasibility of making green cement using three of the incinerator by-products: incinerator heat, residue ashes and carbon dioxide. The green cement can be synthesized exclusively with incinerator residues at incinerator heat temperature of 1000°C. The cement paste is then activated by carbon dioxide to produce strength. Municipal solid waste incineration can be turned into a green cement production. Paste compacts prepared from this material displayed a high CO2 reactivity, achieving an average compressive strength of 53 MPa and an average CO2 uptake of 6.7 wt. % after only 2 hours of carbonation activation at 1.5 bar. QXRD and QEMSCAN results identified the reactive phases to be chloro-ellestadite (Ca10(SiO4)3(SO4)3Cl2) and γ-C2S, which, upon CO2 activation, formed a binding matrix comprised of gypsum, calcium-carbonate precipitates, and a Ca-Si intermix. Leaching tests deem this cement non-hazardous as the monitored heavy metal concentrations in the leachate were well below regulatory limits. Concrete specimens prepared from the cement displayed comparable performance to Portland cement concrete, while additionally demonstrating a viable approach for waste utilization, carbon emission reduction, and natural resource preservation.

References:
[1] Raupp-Pereira, F.; Ball, R.J.; Rocha, J.; Labrincha, J.A.; Allen, G.C. New Waste Based Clinkers: Belite and Lime Formulations. Cement and Concrete Research 38, (2008) 511-521.
[2] Pellenq, R. J. M.; Lequeux, N.; Van Damme, H. Engineering the Bonding Scheme in C-S-H: The Iono-covalent Framework. Cement and Concrete Research 38, (2008) 159 – 174.
[3] Batchelor, B. Overview of Waste Stabilization with Cement. Waste Management 26(7), (2006) 689-698.

SESSION: NonferrousWedAM-R5	8th Intl. Symp. on Sustainable Non-ferrous Smelting & Hydro/Electrochemical Processing
Wed. 30 Nov. 2022 / Room: Arcadia 2
Session Chairs: Vasily Lutsyk; Tatyana Aleksandrova; Session Monitor: TBA

11:30: [NonferrousWedAM01] OS
Verifications of T-x-y Diagrams FeO-SiO2-Fe2O3 &amp;amp;amp; Mg2SiO4-CaAl2Si2O8-SiO2
Vasily Lutsyk¹ ; Marina Lamueva² ; Anna Zelenaya¹ ; Maria Parfenova¹ ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation; ²Institute of Physical Materials Science, Ulan-Ude, Russian Federation;
Paper Id: 277 [Abstract]

3D computer models for T-x-y diagrams of real systems FeO-SiO2-Fe2O3 and Mg2SiO4-CaAl2Si2O8-SiO2 and for their prototypes (with the expanded borders between the phase regions) have been elaborated [1-4]. Afterwards the 3D-puzzles of the exploded phase diagrams (PD) with the phase regions and with the clusters of phase regions as its elements have been printed. When preparing the technical specifications for the phase regions prototyping, the peculiarities of each region or the regions clusters have been thoroughly explained.<br />The T–x–y computer model for pseudo-ternary system Mg2SiO4–CaAl2Si2O8–SiO2 contains the immiscibility surface, five liquidus surfaces, 23 ruled surfaces, 4 horizontal complexes at the temperatures of invariant points, 20 phase regions. The calculation of crystallization paths was carried out. Using the diagrams of vertical and horizontal mass balances permit to analyze the crystallization stages and obtain the sets of microconstituents for the given mass centers. <br />The assembly of 3D model of phase diagram is the final stage of its study by the methods of thermal analysis and X-ray diffraction, and the correction of curvature of curves and surfaces in agreement with the thermodynamic parameters of components and new compounds. If there is the contradictory data, then different variants of PD are assembled. The PD computer model permits to compile the scheme of equilibrium crystallization in the concentration fields of various dimensions (point, line (curve) fragment and fragment of the concentration triangle plane) formed during orthogonal projection of all PD surfaces. This procedure is the main step in decoding the genotype of a heterogeneous material. The concentration fields with unique sets of micro-constituents are revealed as a result of calculation of the qualitative and quantitative composition of microstructure elements. In this case, a list of concentration fields with micro-constituents, which does not differ from the microconstituents of neighboring fields of smaller or the same dimension is compiled. <br />Analysis of two variants of FeO-SiO2-Fe2O3 PD showed that the presence of immiscibility surface of two melts does not affect the micro-constituents set of the heterogeneous ceramic materials of this system. In the case of application of the ultrafast cooling technology of initial melt and its heterogeneous states at various stages of crystallization, the final set of formed materials can be significantly expanded. <br />This work was been performed under the program of fundamental research SB RAS (project 0270-2021-0002) and it was partially supported by the RFBR project 19-38-90035.

References:
1. Parfenova M., Bimbaev E., Lutsyk V., Zelenaya A. 3D computer model and crystallization paths for system FeO-SiO2-Fe2O3 // Book of Abstracts of 12th Conference for Young Scientists in Ceramics, Novi Sad (Serbia), Oct. 18-21. 2017. P. 117-118.\n2. Parfenova M., Lamueva M., Zelenaya A., Lutsyk V.. Crystallization paths in the systems FeO-SiO2-Fe2O3 and Mg2SiO4-CaAl2Si2O8-SiO2 // 5th International Student Conference on Technical Sciences, Bor Lake (Serbia), 28 Sept - 1 Oct. 2018. Р..\n3. Lutsyk V.I., Zelenaya А.E. 3D мodel of Т-х-y diagram Mg2SiO4–CaAl2Si2O8–SiO2 for calculation of crystallization paths // Journal «Melts». 2017. №5. P. 382-391 (In Russian)\n4. Lutsyk V.I., Zelenaya A.E., Lamueva M.V. Calculation of Phase Trajectories for Microstructural Analysis in Liquidus Fields of Cristobalite and Tridymite for System FeO-SiO2-Fe2O3 // Journal of Physics: Conference Series. 2020. V. 1441. 012011.

11:55: [NonferrousWedAM02] OS Keynote
Space computer models for phase diagrams of ternary &amp;amp;amp; quaternary systems to design material microstructure after verification of data interpretation
Vasily Lutsyk¹ ; Vera Vorob'eva¹ ; Anna Zelenaya¹ ; Maria Parfenova¹ ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation;
Paper Id: 317 [Abstract]

The assembled 3D and 4D computer models of T-x-y and T-x-y-z diagrams permit to verify and validate the data on phase equilibria and to design the microstructures of heterogeneous material, including the materials genome decoding. “Phase Diagram (PD) as a Tool of Materials Science”, http://ipms.bscnet.ru/labs/skkm.html , is focused on the following topics: concentration fields of different dimension with the different solidification schemes and microstructures, correction of PD graphics, multi-component systems polyhedration, 3- and 4-phase regions with the reaction type changing, competition of crystals with different dispersion in the invariant regrouping of masses, mathematical approximation of PD, assembling of PD computer models, 3D prototyping of the phase regions and concentration simplexes for the exploded PD and for the concentration complexes of the reciprocal quaternary systems, simulation of DTA spectra and X-ray analysis spectra in the training programs for specialists in the field of physics-chemical analysis. Computer models of PD are the wonderful addition for the thermodynamicaly assessed experimental PD.<br />This work was been performed under the program of fundamental research SB RAS (project 0270-2021-0002).

References:
1. Lutsyk V.I., Vorob’eva V.P. Relation between the Mass-Centric Coordinates in Multicomponent Salt Systems // Z. Naturforsch. A. 2008. Vol. 63a. No 7-8. P. 513-518.
2. Yeremenko V.N., Khoruzhaya V.G., Shtepa T.D. Phase equilibria at the crystallization of alloys in the system Ti-Ru-Ir // Powder Metallurgy. 1987. No 11. P. 72-77 (In Russian).
3. Lutsyk V.I., Vorob’eva V.P. Study of change conditions for the three-phase transformation type in the system Ti-Ir-Ru // Perspectivnye Materialy. 2011. No 13. P. 191-197 (In Russian).
4. Atlas of Phase Diagrams for Lead-Free Soldering, compiled by A. Dinsdale, A. Watson et al. European Science Foundation, Brno, Czech Rep.: Vydavatelstvi KNIHAR, 2008. Vol. 1.
5. Lutsyk V.I., Vorob’eva V.P., Nasrulin E.R. T-x-y Diagrams with Primary Crystallization Fields of Low-Temperature Modifications //Crystallography Reports. 2009. Vol. 54. No 7. P. 1289-1299.
6. Lutsyk V.I. Diagrams of lead-free soldering systems with thermodynamic contours of minimal surfaces // Nanomaterials: Applications and Properties (NAP-2011). Vol. 2, Part I, P. 10-19.

12:20: [NonferrousWedAM03] OS
METHODS FOR THE EXTRACTION OF LOW-DIMENSIONAL NOBLE METAL STRUCTURES FROM REFRACTORY ORES
Tatyana Aleksandrova¹ ; Nadezhda Nikolaeva² ; ¹National Mineral Resources University, Sain-Peterburg, Russian Federation; ²National mineral resources university, St. Petersburg, Russian Federation;
Paper Id: 355 [Abstract]

The inability to extract nanoparticle size of gold is one of the reasons for the high losses of valuable components with tailings during benefication of gold-bearing ores. A promising direction for the development of technologies for processing of noble raw materials is the use of various methods of physical and energy impacts on raw materials and enrichment products. Examples of such effects may be microwave [1], electric pulse [2], magnetic pulse, electrochemical, ultrasonic and other types of effects. Such research in the field of microwave treatment application was conducted in the field of auxiliary beneficiation processes (drying), ore preparation (crushing and milling) and metallurgical processing (leaching, sintering) [3-4]. Flotation experiments were carried out on Laarmann Flotation Bench Test Machine. Elemental composition analysis was carried out using Shimadzu EDX 7000 X-ray fluorescence analyzer. Determination of gold content in the sample was carried out using atomic absorption analysis, the content of organic carbon was determined on the analyzer of organic carbon TOC-L, firm Shimadzu. For microwave treatment of samples a laboratory microwave oven was used. Analysis of products after microwave treatment was carried out using MV 2300 scanning electron microscopy, CamScan and a Mastersizer 2000 particle size analyzer from Malvern Instruments. For the investigated ores it was obtained that the main ore minerals are pyrite and arsenopyrite, barite, chalcopyrite and other minerals are present in insignificant amounts, the main rock-forming minerals are quartz, mica, carbonates and clay-sericite minerals. Contrasting surface properties of minerals with similar technological properties can be increased by applying different energy effects (MEMI, MIO, microwave, electrochemical treatment, etc.) at successive stages of raw material transformation, by regulating slurry conditioning conditions (duration and intensity of mixing, thermal treatment of slurry), as well as by developing and using selective reagent regimes. The analysis of obtained data confirms the possibility of enlarging low-dimensional noble metal particles using microwave treatment. On the basis of conducted research, the technology of extraction of low-dimensional structures of noble and non-ferrous metals based on application of physical and energy impact methods and application of flotation methods of extraction of valuable components with a modified "carrier" was developed. It was determined that pyrite predominates in carbonaceous flotation tails, arsenic content in the tails is 0.04%. Microwave treatment of carbonaceous tailings with furnace power of 1000 W and treatment time of 12-15 minutes for enlargement of nanoparticle size of gold to the size of a few microns was substantiated. This work was supported by the Russian Science Foundation (Рroject No. 19–17–00096).

References:
[1] Galushkin S. S., Vishnyak B.A., Smirnov V.N. The system of automatic control of humidity of bulk materials in streams // Journal of Mining Science - 2010. - Т. 187. P.40-42.
[2] Kurets V. I. et al. Research of electropulse method of selective destruction of ores, artificial materials and wastes of mining production // Journal of Mining Science - 2003. - Т. 154. P.138-141.
[3] Gorlenkov D. V., Gorlenkova I. V. , Beloglazov I. I. Selection of complete recovery of precious metals in the processing of copper-nickel alloys in hydrometallurgical way / Materials Science Forum, № 1, V 927, 2018. pp. 190 - 194 .I. Chojnacka, L. Rycerz, M. Berkani, M. Gaune-Escard, Journal of Alloys and Compounds 582 (2014) 505-510.
[4] Petrov G. V., Fokina S. B. , Boduen A. Y., Zotova I. E., Fidarov B. F. Arsenic behavior in the autoclave-hydrometallurgical processing of refractory sulfide gold-platinum-bearing products / international Journal of Engineering and Technology, № 2, Т 7, 2018. P 35 - 39 .

12:45: [NonferrousWedAM04] OS
A New，High_Efficiency and Eco-friendly Short Circuit Copper Production Technology
Liang Shuaibiao¹ ; ¹China ENFI corporation, Beijing, China;
Paper Id: 82 [Abstract]

<p>LI Dong&mdash;bo，LIANG Shuai&mdash;biao</p> <p>Based on the latest operating practices of copper smelting technology, as well as confronting problems and challenges，a new eco&mdash;friendly and short&mdash;circuit copper production technology is presented in this thesis. Compared with traditional process of copper pyrometallurgy, smelting-converting-fire refining, the smelting slag is cooled slowly and then mineral processing, the process is long. Three furnaces are used in this process to replace the traditional pyrometallurgical process. The copper smelting furnace, anode&mdash;producing furnaces and CR(comprehensive recovery) furnace，which are connected integratedly．It is outstandingly featured with greatly shortened smelting process flow，high comprehensive recovery of valuable metals，high energy efficiency and good environmental performance，which provides a new route for upgrading copper smelting technology．</p>

SESSION: EnvironmentalWedPM1-R5	9th Intl. Symp. on Environmental, Policy, Management , Health, Economic , Financial, Social Issues Related to Technology & Scientific Innovation
Wed. 30 Nov. 2022 / Room: Arcadia 2
Session Chairs: Francisco Souza; Pinchas Mandell; Session Monitor: TBA

14:00: [EnvironmentalWedPM105] OL Plenary
BioChar, The New Black Gold
Pinchas Mandell¹ ; ¹Family of Israel Foundation, Accord, United States;
Paper Id: 516 [Abstract]

BioChar is a highly adsorbent, specially-produced nano-carbon with unique properties originally used as a soil amendment in agriculture. The Industrial process of Pyrolysis used to produce BioChar enables the creation of multiple profit centers utilizing renewable biomass as a feedstock and producing as a byproduct BioChar, Heat, Electricity, Bio- Diesel, Jet Fuel, and Tar. To date, there are over 55 known uses for BioChar with many more being discovered every month. Its major uses today are in Sustainable Agriculture [1,2] which Improves soil fertility and increasing yield per hectare, water and fertilizer (nutrients) bind to the BioChar in the root zone and release it according to the plant’s requirements, prevents leaching (waste) of water and fertilizer and it’s contamination of ground water, development of healthy roots, reduces soil acidity, saves up to 50% in water usage as well as significant reduction in fertilizer consumption, growing organic crops economically, enables farming of desert land; Farm Animal Food Supplement [3] Additive to Asphalt, Concrete, and Plastics [4,5,6,7], Environmental Cleanup of Contaminated Soil & Water [8] As just a small sample of all the peer reviewed journal articles of new scientific findings leading to practical application for BioChar click HERE. It turns out that the stable carbon matrix that BioChar is made of has all kinds of interesting properties. This carbon matrix which has both anionic and cationic exchange properties can hold on to things – water, air, metals and organic chemicals, and it also has unique thermal and electrical properties that are still being explored. Finally, the highly porous physical structure of BioChar provides habitat for microorganisms. With so many different properties, BioChar is bound to have a lot of different uses, but one function that all BioChar applications (other than burning it for fuel) share is carbon sequestration. By fixing easily degradable plant carbon into long-lasting charcoal, carbon dioxide is slowly but surely removed from the atmosphere. It is no wonder that it is considered and being called the “New Black GOLD”!

References:
[1] Biochar implications for sustainable agriculture and environment: A review South African Journal of Botany 127 December 2019 p.333-347
[2] Beneficial Effects of Biochar on Agriculture and Environments International Research Journal of Pure &
Applied Chemistry 21(15): 74-88, 2020
[3] The use of Biochar in animal feeding Schmidt H-P, Hagemann N, Draper K, Kammann C. 2019. PeerJ 7:e7373 https://doi.org/10.7717/peerj.7373
[4] Biochar for asphalt modification: A case of high-temperature properties improvement. 2022 Jan
15;804:150194. doi: 10.1016 Science of The Total Environment Volume 804, 15 January 2022, 150194
2021.150194.
[5] Biochar Amended Concrete for Carbon Sequestration October 2020 IOP Conference Series Materials Science and Engineering 936(1):012007 DOI:10.1088/1757-899X/936/1/012007
[6] Biochar-filled plastics: Effect of feedstock on thermal and mechanical properties Biomass Conversion and
Biorefinery Volume 12, pages 4349–4360 (2022)
[7] BIOCHAR USE IN BUILDING MATERIALS
[8] Effects of Biochar in Soil and Water Remediation: A Review Biodegradation DOI: http://dx.doi.org/ 10.5772/intechopen.101374

14:25: [EnvironmentalWedPM106] OL Plenary
ISOTOPIC HOUSING
Pinchas Mandell¹ ; ¹Family of Israel Foundation, Accord, United States;
Paper Id: 517 [Abstract]

Isotopic Housing™ Definition: A home which stands alone and requires no infrastructure whatsoever for water [1,2], electricity [3,4] or sewage treatment [5,6] making it completely independent. [8] This new paradigm concept for green sustainable homes and communities is at the heart and center of the Family of Israel Foundation’s agenda for empowering mankind with the tools, technologies, and know-how to become completely decentralized and truly independent of anyone else for all the basic needs a person or family would require including the production of one’s own food (Hydroponically and organically grown chemical free fruits & vegetables as well as Aquaponic production of fresh fish as a source of high value healthy protein). We will also include 3D Printing technologies for additive manufacturing which will utilize as its manufacturing feed-stock, plastic made from Hemp that is 10x stronger than steel, half the weight, and biodegradable [7]. This will allow the independent manufacturing of any item or tool which may be needed and can also be used to provide an addition income stream. One of the hallmark features of Isotopic Homes™ & communities is that instead of a person having to make a living to provide for a home, the home provides a living for its inhabitants. This is not just some Utopian dream, it is actually something we can do right here, right now! All that is left to do is to optimize the symphony of technologies.

References:
[1]Atmospheric Water Harvesting on Micro-nanotextured Biphilic Surfaces ACS Appl. Nano Mater. 2022, 5, 8, 11334–11341 Publication Date: August 11, 2022
[2] High-yield solar-driven atmospheric water harvesting of metal–organic-framework-derived nanoporous carbon with fast-diffusion water channels Nature Nanotechnology volume17, pages 857–863 (2022)
[3]Approaches for High-Efficiency III-V/Si Tandem Solar Cells Energy and Power Engineering Vol.13 No.12,
December 2021
[4] Inventor John R. Tuttle Method and system of extracting energy from wind (Bladless WindPipe) US Patent
# US9926914B2
[5] MagneGas - An Alternative Technology for Clean Energy American Journal of Modern Physics Volume 6,
Issue 4-1, August 2017, Pages: 53-63
[6] MagneGas gives recycling wastewater a real-world test NY Daily News May 21, 2015 at 4:34 pm
[7] Hemp is the Future of Plastics 2018 3rd International Conference on Advances on Clean Energy Research (ICACER 2018) E3S Web Conf. Volume 51, 2018
[8] “Isotopic Housing” Video Presentation

14:50: [EnvironmentalWedPM107] OS
MERCURY IN BRAZILIAN ARTISANAL MINING : RELATIONS WITH ENVIRONMENTAL DEGRADATION AND HUMAN HEALTH
Francisco Souza¹ ; ¹IFPB, Campina Grande, Brazil;
Paper Id: 160 [Abstract]

Mining has always been marked by exposure to various risks capable of promoting pathologies to workers [1]. Physical, chemical, biological, ergonomic and accident risks are common in the mineral extractive sector. Mineral deposit mining and concentration processes can release toxic metals into the environment, e.g. cyanides and mercury, used respectively in the leaching and amalgamation of gold. Mining is one of the main sources of environmental contamination by heavy metals, whose main vectors are wind and erosion [2]. They also have high levels of reactivity and bioaccumulation, that is, they are able to trigger several non-metabolizable chemical reactions, which makes them remain cumulative along the food chain [3]. Among the metals released into the environment, mercury is considered the most toxic potential and the only one that has been proven to undergo biomagnification along the trophic chain, also suffering, organification and reaching its most toxic form (methylmercury) in the aquatic system [4]. The consumption of contaminated fish is the main route of human exposure to methylmercury. Artisanal mining, which uses gold-mercury amalgam to extract gold from the ore, is a significant source of exposure for workers and surrounding populations. Miners burn the gold-mercury amalgam to vaporize the mercury and recover the gold. In addition, metal mercury residues are usually dumped near or into watercourses and can lead to high concentrations of methylmercury in fish. The consumption of contaminated fish by community residents can result in the ingestion of high levels of methylmercury [5].

References:
REFERENCES:
[1] M. N. A. de Sousa, A. L. D. Bezerra, B. M. O. Santos, J. E. Z., D. Bertoncello, P. R. V. Quemelo. Ver. Cient. Eletr. de Eng. Produção. 1099–1120. 2015..
[2] J. M. Navarro, R. Torres, K. Acuña, C. Duarte, P. H. Manriquez, M. Lardies, N. A. Lagos, C. Vargas, V. Aguilera. Chemosphere. 2013. 1242-1248.
[3] M. Cardoso. <https://www.infoescola.com/quimica/metais-pesados/>. 2011.
[4] B. S. Homrich, C. R. P. Fernandes, J. R. G. Viera. IBEAS. 2014. 1-7.
[5] Who. IOMC. 2008. 169 pp.

SESSION: EcosystemsWedPM2-R5	4th Intl. Symp. on Sustainability of World Ecosystems in Anthropocene Era
Wed. 30 Nov. 2022 / Room: Arcadia 2
Session Chairs: Iqtidar Hussain; Francis Dube; Session Monitor: TBA

15:55: [EcosystemsWedPM209] OS
THE INFLUENCE OF AGRICULTURE ACTIVITY ON SURFACE WATER STATUS IN LITHUANIA
Laima Cesoniene¹ ; Daiva Sileikiene¹ ; ¹Vytautas Magnus university, Kaunas, Lithuania;
Paper Id: 36 [Abstract]

It is the opinion of many authors that one of the most important and essential sources of diffuse river contamination is improper farming [1-3] Riversides are a strategically advantageous location for agricultural activities since river floodplains are exceptionally fertile. However, the diffuse contamination from farms is caused by not only the riverbank activities but also the intensive farming throughout the river basin. In pursuit of a larger yield, farmers intensively use manure, various chemical fertilizers and pesticides. However, these materials are easily washed out from the soil by rainwater, which then contaminate rivers with the groundwater or surface runoff wastewater. It has been determined that approximately 30-35% of nitrogen and 10-15% of phosphorus, two main contaminates of the surface waters, originate from agricultural activities [4]. The aim of this research was to evaluate the influence of agricultural activities on the state of surface water in Lithuania. Based on the studies conducted in 2014-2019, only 20 % of the studied lakes (total of 40 lakes studied) do not meet the criteria for good ecological status (0.100–0.140 mg/l) according to the phosphorus (Pb) concentration in water. At lakes Latežeris and Luksnėnai the concentration of Pb indicated a bad ecological class (0.231–0.470 mg/l), while at lakes Draudeniai, Paežeriai and Mastis these indicated very bad class (0.231–0.470 mg/l). The lake Talkša and in ponds Bubliai and Stepanioniai were in average ecological class (0.141–0.230 mg/l). The load of biogenic material in the Lakes basins was calculated using SWAT model data. It has been determined that the largest amounts of nitrogen and phosphorus in the Lakes basin appear due to agricultural activities.

16:20: [EcosystemsWedPM210] OL
RECYCLYING OF NITROGEN THROUGH BIOLOGICAL NITROGEN FIXATION IN WHEAT BASED LEGUME INTERCROPPING SYSTEM
Iqtidar Hussain¹ ; ¹Gomal University, Dera Ismail Khan, Pakistan;
Paper Id: 358 [Abstract]

Pakistan’s agriculture is facing numerous climatic issues including salinity, health hazards of soil and pollution. Synthetic nitrogen fertilizers quick in action but reduce soil fertility and soil health. Biological nitrogen fixation (BNF) is a very economical to nitrogen fertilizer in organic agriculture. By cereal legumes intercropping, we can obtain the advantage of BNF through legumes. To compare the biological nitrogen fixation by two legumes i.e. Gram (Cicer aretinum) and lentil (Lens culinaris Medic) in wheat (Triticum aestivum), an experiment was launched during 2018-19. The study consisted of two wheat based inter-cropping with legume i.e. wheat-gram and wheat-lentil in 1-row, 2-row and 3-row strips including sole cropping of all component crops. The results revealed that grain yield, number of grains and seed weight were significantly increased by both inter cropping system over sole cropping of each. However, number of tillers per plant registered maximum in wheat-lentil 1-row strip over other treatments. Land equipment ratio was fairly high in all inter-cropping treatments but the highest LER was recorded for wheat + lentil 3-rows inter-cropping treatment. The soil analysis done before and after harvesting the crop, showed a favorable impact on increasing the percentage of organic matter and nitrogen in the soil. So it is concluded from this research that organic agriculture system in D. I. Khan must rely on BNF for eco-friendly conditions in changing climate scenario. The process of BNF offered an economically attractive sound means of reducing synthetic fertilizer and improved the health of soil as in our case of all treatments. In addition to BNF, it enhanced the micro-flora and micro-fauna activities in the soil which induced the soil fertility.

16:45: [EcosystemsWedPM211] OL Keynote
The Influence of Over-mature, Degraded Native Forests with Strong Anthropic Disturbance and Its Gradual Recovery with Silvopasture in Southwestern South America
Francis Dube¹ ; Marianela Alfaro² ; Erick Zagal³ ; ¹University of Concepción, Concepción, Chile; ²Universidad de Costa Rica, San José, Costa Rica; ³University of Concepción, Chillán, Chile;
Paper Id: 371 [Abstract]

The increasing demand for timber and non-timber products from native forests in Chile and the cattle grazing has augmented the rate of degradation of these ecosystems. This process results in the need to know which of the dynamic variables are involved in its regulation. Soil quality indicators like soil organic carbon (SOC), soil microbial respiration (SMR), microbial biomass carbon (MBC), potential net N mineralization (N-min), and nitrification (N-NO), soil aggregates, and light fraction (LF), were evaluated at two different depths of the soil in Nothofagus obliqua (deciduous) and mixed N. dombeyi - N. obliqua (evergreen-deciduous) forests, where a 30-ha silvopastoral trial was established, after this evaluation, in early 2016 1. The SOC, SMR, MBC, N-min and N-NO were significantly higher in the N. obliqua forest than the mixed forest, 8%, 17%, 17%, 40%, 20%, respectively (p<0.05). The dry weight in soil fractions did not present differences between forest types. C and N contents in the LF (labile, un-decomposed organic matter of plant origin) were higher in the deciduous forest, 9% and 20%, respectively (p<0.05) 2. Our results suggest that soil quality was favored by the quality of organic matter in the site dominated by deciduous species, which translates into more favorable conditions for the activity of microorganisms, nitrogen dynamic, and C and N content in the light faction. The intrinsic characteristics of the plant residues associated with higher rates of decomposition, can stimulate the activity of the biota and especially the soil microorganisms, which would lead to higher values of the different indicators evaluated 3. This novel silvopastoral system will likely help restore the most degraded sites through improvement of the soil quality. This kind of information allows obtaining knowledge of forest areas and their sustainability, mainly for the planning of long-term, durable silvopastoral practices 4.

References:
1 Dube, F., Stolpe, N.B., Zagal, E., Figueroa, C., Concha, C., Neira, P., Carrasco, C., Schwenke, J.M., Schwenke, V., Müller-Using, B. 2018. Novel Agroforestry Systems in Temperate Chile. In: Gordon, A.M., Newman, S.M. & Coleman, B.R.W. (Eds.). Temperate Agroforestry Systems, 2nd edition, CABI Publishing, United Kingdom, 326 pp. ISBN 9781780644851.

2 Alfaro, M., Dube, F., Zagal, E. 2021. The influence of over-mature, degraded Nothofagus forests with strong anthropic disturbance on the quality of an Andisol, and its gradual recovery with silvopasture in southwestern South America. In: Dagar, J.C., Gupta, S.R. & Teketay, D. (Eds.). Agroforestry for Degraded Landscapes: Recent Advances and Emerging Challenges, Vol. 2, Springer, Singapore, 475 pp. ISBN 978-981-15-6806-0.

3 Alfaro, M., Dube, F., Zagal, E. 2017. Soil quality indicators in an Andisol under different tree covers in disturbed Nothofagus forests. Chilean Journal of Agricultural Research, 78(1): 106-116.

4 Dube, F., Stolpe, N.B. 2016. SOM and biomass C stocks in degraded and undisturbed Andean and Coastal Nothofagus forests of southwestern South America. Forests. 7(320)

17:10: [EducationWedPM212] OS
Education as a key factor of innovative and sustainable development
Vladimir Kirko¹ ; Elena Kononova² ; Anna Lukyanova² ; ¹Research Institute of Physics and Engineering, Krasnoyarsk, Russian Federation; ²Reshetnev Siberian State University of Science and Technology, Krasnoyarsk, Russian Federation;
Paper Id: 144 [Abstract]

This article examines the questions of ensuring sustainable development of socioeconomic systems through combining such factors of sustainable development as science, education and culture. The maintenance of sustainable development of socioeconomic systems alongside creation of conditions for wellbeing of the population is inseparably associated with establishment of the development pattern oriented towards the growth of financial and economic indicators, as well as the achievement of high living standards of citizens. The authors demonstrate a chain of elements ensuring sustainable development of noosphere and examine the evolution of accumulation of knowledge that leads to human capital gains. The article substantiates the key role of the modern education system in maintenance of innovation development, and suggests the mechanism for creation and distribution of structural and educational innovations. The conclusion is made that in order to ensure correspondence of the Russian education system to the requirements of the sixth technological paradigm, it is necessary to conduct significant changes in approaches towards the educational process. The authors determine the following key directions of reforms in the modern Russian education system, which are capable of creating a new vector for the development of education systems in Russia: 1) establishment of the system of continuous education that substantially rather than formally ensures the concepts of “education throughout lifetime”; 2) revival and advancement of the system of integrative learning to ensure partnership of universities with businesses and society; 3) formation of the system of global access to the top educational resources, incorporation of formal and informal education. Keywords: education, knowledge, human capital, technological order, sustainable development, socio-economic development, noosphere, understanding, competences, technology

SESSION: SolidStateChemistryMonAM-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Mon. 28 Nov. 2022 / Room: Andaman 1
Session Chairs: Alejandro Varez; Session Monitor: TBA

11:30: [SolidStateChemistryMonAM01] OS Plenary
A career in novel Chemistry- Part 1
Miguel A. Alario Franco¹ ; ¹Complutense University of Madrid, Madrid, Spain;
Paper Id: 518 [Abstract]

The beginning of my scientific & academic career my first challenge, started in fact, in the 4th year undergraduate when, under the direction of my supervisor, Professor A. Mata Arjona, I did build the technical equipment for the thermal treatments of solid samples in vacuum and the measurement of their porous texture. This led to my thesis work concerning the structural & textural study of porous solids (The porous texture of Aluminium Phosphate Gels. Univ. Complutense-Serie A-Nº 110; 1970-In Spanish¡). Interestingly, these materials and studies are now relevant, more than 45 years later, when ALPO is being studied as absorbent of CO2 and water from the atmosphere fighting with drought and climate change (B.D. Yuhas et al Chem.Mater.2018,30, 583-586 and references therein). This equipment was then used for a number of years by mine and other doctoral students: my first achievement¡ I did my postdocs in the UK, learned various techniques as TEM, ED, ESCA.…and more about materials synthesis. Back in Spain, in 1976, I became Chemistry Professor at 34 years of age; another landmark in Spanish Universities- By 1974, I created the first Solid-State Chemistry group -by then a relatively new subject- and after setting up an Electron Microscopy center and a High Pressure Synthesis lab -a technique that I did get to know in the CNRS & INPG in Grenoble France, I did mentor various “collections” of undergrads (around 70) and graduate (some foreign) students – to arrive to have, along the years, more than 25 D.Sc. disciples, 15 of which are today University full professors and have created their own schools, in Spain and other places. One can estimate that around 200 scientists have participated in and benefited of the activities of this innovative scientific school. Simultaneously I did develop and implemented in the Chemistry Curricula Solid- State Chemistry as a discipline in the degrees of Chemistry and Materials Science & Engineering, that is now used in many Spanish Science Faculties. In the Academic career, I have been successively Professor, Dean of Faculty, Director of Summer School, member of the Royal Academy of Sciences of Spain, -of which I have been President- Also honorary member of Colombia and Argentina and of various other national and international scientific organizations, like EURASC or the university of Wales.

11:55: [SolidStateChemistryMonAM02] OS Plenary
A career in novel Chemistry- Part 2
Miguel A. Alario Franco¹ ; ¹Complutense University of Madrid, Madrid, Spain;
Paper Id: 519 [Abstract]

The work on my D.Sc thesis consisted in a study of the textural and structural developments in the thermal treatments of Aluminum Phosphate hydrated gels. Immediately after, in my fist postdoc I discovered the interconversion between CrO2 & CrOOH in different atmospheres and I also performed a textural analysis that was followed in ulterior thesis back in Spain where we did study the diffusion coefficient of H in this process. A plethora of oxyhydroxides & hydroxides was than prepared and deeply studied structurally and microstructurally. In my second postdoc we looked at extended defects in CrO2 and found a new family of Crystallographic Shear (CS) Phases, a subject of great interest at the time -mid 70’s.; simultaneously we made a deep study by means of Photoelectron Spectroscopy, in the first equipment available commercially, of chromium oxides and confirmed Goodenough Model for Rutile type dioxides. Back to Spain in my then starting research group (1973-4), we dedicated our efforts, mostly, but not exclusively, to the synthesis and characterization (structure, microstructure, electric, magnetic, thermal) properties we did extend the studies on CS in various system and the structure/properties relations and its evolution with temperature in TM oxides obtained at RP/HT and, specially at HP & HT in the HP-Laboratory that we did set up -first one in Spain and one of the very few in Europe by then- more than 15 external groups have benefitted of this innovative laboratory. Also, the deep microstructural and spectroscopic characterization was performed in the Electron Microscopy “Luis Bru Center” that I founded at UCM. Work on Perovskites followed and we did publish the first Spanish paper in Physical Sciences in Nature (1977) concerning extended defects in bulk SrTiO3 and later on its surface (SS Sciences 2009). Continuing on perovskite related work we did launch an extensive collaboration wit three French laboratories: Two in Grenoble and one in Bordeaux, where we did introduce the electron microscopy and diffraction techniques. In this last case, we demonstrated the phenomenon of three-dimensional microdomains associated to non-stoichiometry associated to Red-Ox processes in Ca-La Ferrites. In late 1986, the extraordinary phenomenon of HTSC, was discovered and we were the first group in Spain to obtain YBCO derived materials, such as REBa2Cu3O7-x (Solid State Comm 1987) still the Highest Tc (=96.5 K in the case Re <> Sm) for an YBCO superconductor. Shortly after we did prepare the whole family with most of the Rare Earths and distributed samples of the in various laboratories, including the one of Cardona in Stuttgart¡ For its part in Grenoble, we had a verry strong collaboration in those HTSC cuprates in which we established the existence of the “intermediate phase” Y2Ba4Cu6O13 (Solid State.Comm.65, 283-6, (81988/1/1) and obtained “A new family of cupro-carbonates” (Physica C, 1-2, 52-6(1994) & Physica C,235-240, 975-6 (1994). Which still displays the High Tc record for non-toxic materials:117K at room pressure. On the other hand, in Madrid, our work has also demonstrated a novel Red/Ox mechanism in the oxidation –and concomitantly a very marked increase in Tc- of cuprates having two different transition metals: Mo0.3Cu0.7Sr2RECu2O7+x (Dalton Transactions: 44(23) 10795- 805(2015)). A few additional examples of our more recent work in superconducting and other materials will be presented in the lecture.

12:20: [SolidStateChemistryMonAM03] OS
NASICON ceramic electrolytes produced by combination of tape-casting and hot-pressing with high performances at room temperature. Towards sustainable all-solid-state sodium batteries.
Alejandro Varez¹ ; Belén Levenfeld² ; Cynthia Martinez Cisneros³ ; Johanna M Naranjo Balseca¹ ; Bidhan Pandit¹ ; ¹UNIVERSIDAD CARLOS III DE MADRID, LEGANES, Spain; ²Universidad Carlos III de Madrid, Leganés, Spain; ³Universidad Carlos III de Madrid, LEGANES, Spain;
Paper Id: 443 [Abstract]

The abundance of sodium and the physical-chemical similarities with lithium make sodium batteries a technology to the Lithium ones, with the potential to produce disruptive changes in the transition towards cleaner and sustainable energy sources less dependent on fossil fuels. In this experimental work, we propose a new processing methodology, based on the combination of tape-casting and hot-pressing, to develop high performances ceramic NASICON electrolytes with formula Na3.16Zr1.84Y0.16Si2PO12 and high ionic conductivity (from 0.12 mS/cm at 20ºC to 1.29 mS/cm at 100ºC), wide electrochemical window (from 1.5V to 4V), good mechanical properties and (325 HV of hardness) and high thermal stability. In order to study the compatibility of the chemical and electrochemical characteristics the electrolytes with the solid-state battery approach, half-cells (Na0/NASICON/FePO4) were prepared and tested at room temperature. Preliminary results reveal that capacity slightly increases as the number of cycle does, reporting values of up to 85 mAh/g (at a C-rate of C/20), about 50% of the theoretical capacity and 60% of the capacity typically reported for their liquid-based counterparts. Due to these results were obtained for room temperature, the application scope of the proposed electrolytes broadens not only to stationary applications but to transport, where highly efficient and sustainable devices are highly demanded. Therefore, the all-solid-state sodium battery based on Na0/NASICON/FePO4 here proposed demonstrates to be functional and a potential competitor for current all-solid-state batteries based on the electrochemistry of lithium.

12:45: [SolidStateChemistryMonAM04] OS
3D-printing of easily recyclable all-ceramic thick LiCoO2 electrodes with enhanced areal capacity for Li-ion batteries using a highly filled thermoplastic filament
Belén Levenfeld¹ ; Alejandro Varez² ; Carmen De La Torre¹ ; Daniel Del Rio¹ ; ¹Universidad Carlos III de Madrid, Leganés, Spain; ²UNIVERSIDAD CARLOS III DE MADRID, LEGANES, Spain;
Paper Id: 442 [Abstract]

The final prices of a LIB depend to a large extent on the materials used and the manufacturing process. The reduction of non-active materials (50% of battery weight) (Al and Cu current collectors, separators),, plays a fundamental role in reducing costs for both the production process and the final device [1]. On the other hand, the cathode thickness currently limits the total energy density and power of LIBs. One option to address this limitation is to increase the cathode thickness and consequently balancing with a thicker anode. In this way, the active materials volume ratio in the cell increases (the electrodes areal and volume capacities grow), achieving higher specific energy and specific power per weight and per volume [2]. Commercially available batteries are usually composed by cylindrical, coin, prismatic or pouch cells. Therefore, the development of new processing technologies is needed to design more complex geometries that could fit specific cell designs. In this context, additive manufacturing (AM) technologies have shown their potential for the design of 3D objects with non-conventional geometries and reduce number of produced parts and have been recently applied to different energy devices [3]. Although AM technology has not been used for commercial batteries, its use can contribute to the optimization of the final design of the devices, allowing the use of batteries with more complex shapes. In this work, Fused Filament Fabrication (FFF) is proposed as a cheap, affordable and solvent-free processing method alternative to conventional electrode manufacturing for Li-ion batteries, which allows developing additive-free ceramic electrodes with enhanced energy density. The production of thick ceramic LiCoO2 (LCO) electrodes using a desktop 3D-printing was developed as an alternative to conventional electrode manufacturing for Li-ion batteries. Firstly, the filament formulation based on LCO powders and a sacrificial polymers blend, is optimized in order to achieve the suitable features (viscosity, flexibility and mechanical consistency) to be used in a conventional desktop 3-D printing. Printing parameters were optimized to produce defect-free bodies with coin geometry (12 mm diameter and 230-850 µm thickness). Thermal debinding and sintering were studied in order to obtain all ceramic LCO electrodes with adequate porosity. The additive-free sintered electrodes (850 µm thickness) have enhanced areal and volumetric capacities (up to 28 mA·h·cm-2 and 354 mA·h·cm-3) due to their extremely high mass loading (up to 285 mg·cm-2). Thus, the Li//LCO half-cell delivered an energy density of 1310 W·h·L-1. The ceramic nature of the electrode permits the use of a thin film of paint gold as current collector, reducing considerably the polarization of thick electrodes. Thus, the whole manufacturing process developed in this work is a complete solvent-free method to produce tuneable shape electrodes with enhanced energy density, opening the door for the manufacturing of high-density batteries with complex geometries and easily recyclable.

References:
[1] Y. Kuang, C. Chen, D. Kirsch, L. Hu, Advanced Energy Materials 1901457 (2019) 1–19.
[2] Y. Liu, S. Zheng, J. Ma, Y. Zhu, J. Wang, X. Feng, Z.S. Wu, Journal of Energy Chemistry 63 (2021)
[3] L. Fieber, J.D. Evans, C. Huang, P.S. Grant, Additive Manufacturing 28 (2019) 344–353 514–520.

SESSION: SolidStateChemistryMonPM1-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Mon. 28 Nov. 2022 / Room: Andaman 1
Session Chairs: Udo Schwingenschlogl; Session Monitor: TBA

14:00: [SolidStateChemistryMonPM105] OS Keynote
Nano Hybrid Materials Systems for Multifunctional Applications
Fernand Marquis¹ ; ¹San Diego State University, San Diego, United States;
Paper Id: 177 [Abstract]

Carbon nanotubes and graphene are almost perfect molecules with truly amazing combinations of thermal, electrical and structural properties. In order to achieve their full potential they need to be fully integrated hybrid materials in all sorts of matrices. Full integration requires their development beyond conventional composites so that the level of the non-nano material is designed to integrate fully with the amount of nanotubes and graphene. Here the nano materials are part of the matrix rather than a differing component, as in the case of conventional composites. In order to advance the development of multifunctional materials integrating nanotubes and graphene, this research is focused on the simultaneous control of the nano architecture, structural properties, thermal and electrical conductivity of fully integrated hybrid materials. These hybrid materials systems are designed to surpass the limits of rule of mixtures in conventional composite design. The goals are to implement multifunctional designs to fully mimic the properties of carbon nanotubes and grapheme on larger scales for enhanced thermal and electrical management in addition to the control of other properties such as strength, toughness energy and power. These new approaches involve exfoliation, functionalization, dispersion, stabilization, alignment, polymerization, reaction bonding and coating in order to achieve full integration. Typical examples of structural applications of polymeric and ceramic matrices and applications in energy systems such as capacitors and batteries as well as other material systems are presented and discussed.

References:
1. Marquis, F.D.S. “Carbon Nanotube Nanostructured Hybrid Materials Systems for Renewable Energy Applications” JOM, Vol 63, 1 (2011) 48
2. Marquis, F.D.S. and L.P.F. Chibante “Improving the Heat Transfer of Nanofluids and Nanolubricants with Carbon Nanotubes” JOM, 12 (2005) 32-44.
3. Functional Composites of Carbon Nanotubes & Applications”, Lee, K-P, Gopalan, A.I. and Marquis, F.D.S. Marquis, Research Signpost (2009), ISBN 978-81-7895-413-4.
4. Marquis, F.D.S. “The Nanotechnology of Carbon Nanotube Nanofluids” in “Functional Composites of Carbon Nanotubes and Applications”, Lee, K-P, Gopalan, A.I. and Marquis, F.D.S. Marquis, ISBN 978-81-7895-413-4, (2009).

14:25: [SolidStateChemistryMonPM106] OS Keynote
Predicting the Gas Sensing Performance of 2D Materials
Udo Schwingenschlogl¹ ; ¹King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia;
Paper Id: 392 [Abstract]

We study the potential of material simulations based on first-principles methods to predict gas sensing properties of 2D materials. This emerging class of materials is of particular interest to gas sensing applications due to high surface-to-volume ratios and chemical stability. We discuss in detail results of electron transport calculations within the Landauer-Büttiker formalism and compare the conclusions to analyses in terms of adsorption energies‚ charge transfers‚ and work functions. Specific examples include the effects of the interlayer interaction in bilayer MoS2 and WS2 on the gas sensing performance and the consequence of the presence of reactive Si in Si2BN. We also address the properties of C3N and para/meta-C3Si. Potential of very sensitive gas sensing is demonstrated for para-C3Si and is explained by the susceptibility of Dirac states to symmetry breaking distortions rather than by a mechanism based on charge transfer. Finally‚ the enhanced gas sensing performance of monovacant C6BN is studied and it is shown that the work function changes of both pristine and monovacant C6BN during gas adsorption do not correlate with the changes observed in the I-V characteristics.

References:
Adv. Theory Simul. 1, 1700008 (2018); ACS Appl. Nano Mater. 2, 6076-6080 (2019); J. Phys. Chem. C 123, 13104-13109 (2019); J. Phys. Condens. Matter 32, 355602 (2020); J. Phys. Chem. C 124, 5853-5860 (2020).

14:50: [SolidStateChemistryMonPM107] OS
When the High-Pressure Synthesis of HTSC Cuprates does not follow the Lanthanide Contraction…(but their properties do¡) and two more unusual reactions
Miguel Angel Alario Franco¹ ; ¹Universidad Complutense, MADRID, Spain;
Paper Id: 456 [Abstract]

We have been working for some time on the synthesis at high pressure (P 12.5 < Gpa) and high temperature (T ≤1400 K) of new materials of the type MSr2RECu2O8 (RE <>Rare Earth), which formally derive from YBCO (i.e. CuBa2YCu2O7) by replacing the [Cu-O4] squares in the basal plane of the structure by [M-O6] octahedra (M <> Ru, Cr or Ir). The adequate formation of these cuprates as majority phases, can only be performed in a particular and relatively narrow window of P and T, outside which they cannot be obtained pure or even obtained at all¡. Yet, these “optimum conditions” bear a remarkable Gaussian correlation with the rare earth ion size, --the rare earth cation being at the centre of the unit cell in the YBCO setting--, and they do not follow the classic lanthanide contraction so often observed in the chemistry of those elements. Instead, interelectronic repulsion appears to play a major role in fixing the synthesis conditions. Moreover, the position of the Gaussian tip in the pressure-ionic radii space is also dependent on the transition metal that sits in the octahedron, in a way that seems related to the thermodynamic stability of their simpler oxides. The second unusual example concerns the oxidation of Mo0.3Cu0.7Sr2ErCu2Oy, one of the superconducting perovskite derivative members of the above family (**). As shown by a detailed XPS study of its high oxygen pressure oxidation, the appearance of superconductivity is related to the oxidation of Molybdenum in parallel to the reduction of Copper. The final example refers to an order/disorder process of a quadruple perovskite as function of High Pressure & High Temperature (***). I thank my students for their contribution to this work.

References:
(*) Inorganic Chemistry, Vol. 47, No. 14, 2008 6475. (**) Dalton Trans. 2015, 44, 10795. (***)

15:15: [SolidStateChemistryMonPM108] OL Keynote
Carbon-based Compounds and Materials for Enhanced Solar Cell Efficiencies and for Electrocatalytic Applications for Hydrogen Formation
Luis Echegoyen¹ ; ¹American Chemical Society, El Paso, United States;
Paper Id: 525 [Abstract]

Carbon-based chemical compounds and materials are relatively inexpensive and very effective as selective Electron Transporting Layers (ETLs) in solar cells. Our work in this area has been primarily with buckminsterfullerene compounds, also called “buckyballs” or simply fullerenes, which are pure-carbon cages that are excellent electron acceptors and 3D transporters. We have functionalized fullerenes in order to modulate and probe their specific interfacial interactions in perovskite solar cells to understand the details and to enhance the cell performance efficiencies. Pyridine-functionalized fullerenes were tested as ETLs, both as pure compounds as well as in combination with other ETL compounds in order to discriminate their ability to extract electrons at the perovskite interface and to transport the electrons through the bulk phase. Results clearly showed that the pyridine-functionalized compounds act as efficient electron extractors at the interface but are not good electron transporters as a bulk phase. In addition to regular fullerenes we have also worked with endohedral versions, which are carbon cages which encapsulate ions and/or atoms and clusters inside, stabilized by electronic interactions with the cages. These nano-sized compounds, which we also call “Buckyball Maracas” due to their composition and structure, were recently shown to act as reasonably efficient non-precious metal-containing molecular catalysts to effect the Hydrogen Evolution Reaction (HER), or water splitting, to produce hydrogen gas. We initiated this work and are currently exploring the fundamental aspects of the HER with other endohedral fullerene compounds, both to understand the details and to increase their efficiencies.

SESSION: SolidStateChemistryMonPM2-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Mon. 28 Nov. 2022 / Room: Andaman 1
Session Chairs: TBA Session Monitor: TBA

15:55: [SolidStateChemistryMonPM209] OS
Unusual topochemical reactions
Hiroshi Kageyama¹ ; ¹Kyoto University, Kyoto, Japan;
Paper Id: 436 [Abstract]

Topochemical reactions have led to great progress in the discovery of new metastable compounds with novel chemical and physical properties. The host lattice is considered to be generally immobile and rigid, and the overall crystal architecture of the host oxides is maintained. In my talk, I will present two cases where non-trivial structural conversions occur at low temperatures. The first example is the hexagonal nitride hydride, h-Ca3CrN3H, which converts to an orthorhombic nitride, o-Ca3CrN3, under hydrogen at 673 K, which is accompanied by a rotational structural transformation [1]. The second example is expressed by "Bi12O17Cl2 --> Bi12O17–0.5xFxCl2 (x ≤ 6)", where a sextuple Bi6O8.5 block with 1D rock-salt (RS) units in the FL matrix along the a-axis changes to alternate FL and RS slabs along the c-axis [2].

References:
[1] Y. Cao et al., Angew. Chem. Int. Ed. 2022, https://doi.org/10.1002/anie.202209187
[2] D. Kato et al., Adv. Funct. Mater. 32, 2204112/1-9 (2022)

16:20: [SolidStateChemistryMonPM210] OS
Development of High-Pressure Treatment Technique for Epitaxial Thin Films and Fabrication of α-PbO2-type TiO2 Epitaxial Thin Films
Yuki Sasahara¹ ; Koki Kanatani² ; Hiroaki Asoma³ ; Cédric Tassel¹ ; Kazunori Nishio³ ; Hiroshi Kageyama¹ ; Ryota Shimizu³ ; Masaki Azuma² ; Norimasa Nishiyama² ; Taro Hitosugi⁴ ; ¹Kyoto University, Kyoto, Japan; ²Tokyo Institute of Technology, Yokohama, Japan; ³Tokyo Institute of Technology, Tokyo, Japan; ⁴The University of Tokyo, Tokyo, Japan;
Paper Id: 441 [Abstract]

Materials under ultrahigh pressure (HP) exhibit a variety of interesting properties.[1] However, some of the HP-phase materials that are thermodynamically stable under HP (> 10 GPa) transforms into amorphous or different crystalline phase during decompression. If this back-transformation can be suppressed, we can obtain some functional HP-phase materials to be utilized in the future. To obtain such HP-phase materials under ambient pressure, we focused on the epitaxial stabilization of metastable-phase materials and came up with the idea of applying HP to thin-film samples.[2] We first investigated an HP-phase, <i>α</i>-PbO₂-type TiO₂ (orthorhombic, <i>a</i> = 0.454 nm, <i>b</i> = 0.549 nm, <i>c</i> = 0.491 nm). This phase is obtainable under ambient pressure. Unfortunately, most of the reported data was about the product in the form of powder, and only a few reports about the fabrication of single crystals are currently available. In particular, single-phase epitaxial thin films have not been reported. In this study, we developed a technique for applying HP (8 GPa) to thin-film samples. Using a rutile TiO₂(100) epitaxial thin film as a precursor, we fabricated epitaxial thin films of single-phase <i>α</i>-PbO₂-type TiO₂(100) by inducing a structural phase transition at ultrahigh pressure. Thin films of epitaxial rutile TiO₂(100) (thickness: ~100 nm) were deposited as precursors on Al₂O₃(001) (5 mm in diameter and 0.5 mm in height) using pulsed laser deposition. HP treatment for thin films was performed using a Kawai-type multi-anvil HP apparatus. The precursor thin film was heated up to 1000 °C under HP of 8 GPa, and then kept for 0.5 h. After the heating step, the film was quenched to room temperature (RT), followed by decompression. The results of X-ray diffraction and Raman spectroscopy indicate that a single-phase <i>α</i>-PbO₂-type TiO₂(100) epitaxial thin film has been obtained. It should be stressed here that rocking-curve full width at half maximum of the 200 peak showed a quite small value of 0.11°, indicating very high crystallinity. Our present study indicates that HP treatment to thin-film samples allows us to fabricate high-quality HP-phase epitaxial thin films.

References:
[1] Snider <i>et al.</i>, <i>Nature</i>, <b>586</b>, 373 (2020).
[2] Sasahara <i>et al.</i>, <i>AIP Adv.</i>, <b>10</b>, 025125 (2020).

16:45: [SolidStateChemistryMonPM211] OS Invited
Laser Modification of Solids
Luis A. Angurel¹ ; German F. De La Fuente² ; David Munoz Rojas³ ; Luis Porta Velilla⁴ ; Elena Martínez⁴ ; Alejandro Frechilla⁵ ; A. Sekkat³ ; ¹INMA (CSIC-University of Zaragoza), Zaragoza, Spain; ²Institute of Nanoscience and Materials of Aragón (CSIC-University of Zaragoza), Zaragoza, Spain; ³LMGP, UMR 5628, Grenoble Cedex 1, France; ⁴INMA(CSIC-Universidad de Zaragoza), Zaragoza, Spain; ⁵INMA (CSIC-Universidad de Zaragoza), Zaragoza, Spain;
Paper Id: 509 [Abstract]

There are a number of commercially available lasers with different emission parameters. Among these, wavelength, continuous or pulse emission, pulse repetition rate and nominal power are essential. The laser emission can further be modified by the optical systems employed to modulate the output beam. The above laser emission parameters enable controlled irradiation of solids to induce significant chemical and physical modifications of their surfaces in any type of environment and with ease of scalability to large areas. Several distinct types of interactions may be described for laser irradiation of solids, with underlying photothermal, photophysical and photochemical mechanisms. The most commonly applied in industry are based on photothermal transformations, where melting is induced on solid surfaces for welding and conventional cutting operations. Appropriate beam steering enables focusing geometries which allow directional solidification of solids from their melt in circular and planar fashion. In contrast, short pulse laser irradiation of solids may induce ablation phenomena, whereby material is selectively removed from the irradiated area, generating new surface properties. The above processes will be examined in this talk, using examples derived from the preparation of textured and nanostructured functional solid surfaces. Acknowledgements. Work funded by EU project SPRINT (H2020-FETOPEN 801464) the Spanish MCIN/AEI/10.13039/501100011033 (project PID2020-113034RB-I00) and by Gobierno de Aragón (research group T54_20R).

References:
References.
[1] G. de la Fuente et al., Adv. Mater. 7 (1995) 853-856.
[2] F. Rey-García et al., Ceram. Int. 44 (2018) 6997-7005.
[3] R. Molina et al., Appl. Surf. Sci. 556 (2021) 149673.
[4] A. Cubero et al., Appl. Surf. Sci. 508 (2020) 145140.

17:10: [SolidStateChemistryMonPM212] OS
“Fluoroperovskites and other Fluoride Materials for Applications in Energy, Electronics, Photonics and Sustainable Issues”
Alain Tressaud¹ ; ¹ICMCB-CNRS, University Bordeaux, Pessac, France;
Paper Id: 506 [Abstract]

Solid-state inorganic fluorides are present today as components in many advanced technologies, including energy storage and conversion, microphotonics, fluorescent chemical sensors, solid-state lasers, nonlinear optics, nuclear cycle, superhydrophobic coatings, etc. Most of these outstanding properties can be correlated to the exceptional electronic properties of element fluorine “F2”, yielding almost unique types of bonding with the other elements [1]. The strategic importance of Solid-state inorganic fluoride materials will be illustrated by some examples taken from various fields.: - Use of fluoride materials as electrodes in Li-ion batteries and in catalysis; - Nanocrystalline metal fluorides derived from fluorite- (CaF2) or tysonite- (LaF3) types with high F--anionic conductivity and used as solid electrolytes in F- ion-based all-solid-state batteries. - Fluorides in photonics: luminescence, up- and down-conversion, frequency-doubling fluorides and solid-state lasers ; - Multiferroics based on d-transition metal fluorides derived from the perovskite, i.e. layered BaMF4 or TTB-K3Fe5F15, in which magnetism and ferroelectricity coexist. - F-doped SnO2 for photo-voltaic applications exhibiting a rather good transparency in the visible range and high infrared absorption associated to its conductivity due to n-type charge carriers -Perovskite-related solid-state fluorides based on d-transition metals exhibit a huge variety of structural and magnetic behaviors. Layered BaMF4 and iron fluorides (TTB- K3Fe5F15), are important families of multiferroics, -Intercalated fluoride ion in several networks of oxides allowing to tune the transition metal oxidation state. F-based superconductors created by F-doping in cuprate systems La2CuO4 and Sr2CuO3 or in F-doped oxypnictide LnFePnO1-xFx (Tc ~58 K) - Finally, nanoparticles of solid-state inorganic fluorides are used in many advanced domains such as dye-sensitized solar cell (DSSC), transparent conducting films (TCF), solid state lasers, nonlinear optics (NLO), up- and down-conversion luminescence, UV absorbers, frequency doubling. Their role is decisive in medicine and biotechnologies, where nano-crystals of doped rare-earth fluorides can be used as theranostic nano-agents that integrate imaging probes and therapeutic and are therefore able to perform both therapy and diagnostic within a single nano-object.

References:
[1] “Progress in Fluorine Science”, A. Tressaud Series Editor, Elsevier, Vol. 1 –
“Photonic & Electronic Properties of Fluoride Materials”, A.Tressaud & K. Poeppelmeier
Eds. (2016). // Vol. 2 – “New Forms of Fluorinated Carbons”, O. Boltalina & T. Nakajima, Eds. (2016). // Vol. 3 – “Modern Synthesis Processes and Reactivity of Fluorinated Compounds”, H. Groult, F. Leroux & A. Tressaud, Eds. (2017). // Vol. 4 – “Fluorine & Health: Pharmaceuticals, Medicinal Diagnostics, and Agrochemicals”, G. Haufe, & F. Leroux Eds. ( 2018). // Vol. 5 – “Fluorine, a Paradoxical Element”, A. Tressaud, (2019).

SESSION: SolidStateChemistryMonPM3-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Mon. 28 Nov. 2022 / Room: Andaman 1
Session Chairs: Yuki Sasahara; Session Monitor: TBA

17:50: [SolidStateChemistryMonPM313] OS
High pressure synthesis of new light materials with outstanding properties
Yann Le Godec¹ ; ¹CNRS, PARIS, France;
Paper Id: 107 [Abstract]

Modern high pressure chemistry represents a vast exciting area of research which will lead to new industrially important materials. Compared to traditional solid-state chemistry, this field is only just beginning to realize its huge potential and the image of “terra incognita” is not misused. Nowadays high pressure chemistry takes advantage of advances in X-ray diffraction. Actually, research over the last ten years has seen intensive use of in situ synchrotron radiation for direct observation of both stable and metastable synthesis pathways under extreme conditions. This strategy removes the limitations of the old ex situ ‘cook and look’ procedure. The possibility of observing synthesis in situ permits much greater precision in establishing the thermodynamic conditions needed for accessing metastable states. In this talk, I will show that the use of very high pressures and temperatures combined with the in situ probe by X-ray diffraction with synchrotron radiation is the methodological key to control the composition and microstructure (nanostructuration) of new bulk light materials (borides, carbides, Si compounds, etc.) with outstanding properties and I will give many examples from our recent studies [1-5].

References:
[1] Y. Le Godec*, A. Courac, V. Solozhenko. High-pressure synthesis of superhard and ultrahard materials. Journal of Applied Physics, American Institute of Physics, 2019, 126 (15), pp.151102.
[2] S. Pandolfi, C. Renero-Lecuna, Y. Le Godec* et al. Nature of Hexagonal Silicon Forming via High-Pressure Synthesis: Nanostructured Hexagonal 4H Polytype. Nano Letters, American Chemical Society, 2018, 18 (9), pp.5989 - 5995.
[3] R. Grosjean, Y. Le Godec*, S. Delacroix et al.. High pressures pathway toward boron−based nanostructured solids. Dalton Transactions, Royal Society of Chemistry, 2018, 47 (23), pp.7634−7639.
[4] Y. Le Godec*, M. Mezouar, D. Andrault, V. Solozhenko, O. O. Kurakevych, BORON CARBIDE AND METHOD FOR MAKING SAME, European patent 08787929.2.
[5] Y. Le Godec*, V. Solozhenko, O. O. Kurakevych, N. Dubrovinskaia, L. Dubrovinski, NANOSCALE BORON NITRIDE, US patent USPTO 2<span class="fon_main_wrapper"><span phone-source="0110230122" class="fon-phone-wrap fon-hightlighted active-call" id="fon-phone-e15G0ROojE">0110230122</span><a phone-source="0110230122" href="#" class="fonCallLinkButton active-call"><img src="data:image/png;base64,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" alt="F"/></a></span>.

SESSION: SolidStateChemistryTueAM-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Tue. 29 Nov. 2022 / Room: Andaman 1
Session Chairs: Belén Levenfeld; Session Monitor: TBA

11:30: [SolidStateChemistryTueAM01] OS Plenary
Solid State Ionics - A Brief History, Unresolved Problems and Plenty of Room
Manfred Martin¹ ; ¹RWTH Aachen University, Aachen, Germany;
Paper Id: 237 [Abstract]

The field of Solid State Ionics is concerned with the understanding and tailoring of defects, diffusion and reactions in solids. It has nowadays wide technological applications in energy conversion and storage, data storage, sensors etc. Thus, Solid State Ionics and its technological implications are inevitable for a future sustainable development of our world.<br />In this contribution I will, however, focus on some fundamental questions and still unresolved problems in the Science of Solid State Ionics. For this purpose, I will start with a brief history of Solid State Ionics showing the foundations of the field. Then I will focus on two major topics: The first is concerned with the role of defect interactions. This topic is of particular importance in materials with high defect concentrations where defect interactions are unavoidable. Interestingly, nearly all materials with technological importance belong to this class of materials. In contrast, the theoretical treatment of interactions is mostly limited to diluted systems. I will show a possible route to solve this problem by combining ab initio calculations with Monte Carlo simulations [1]. In this way, not only the problem of defect interactions can be solved, but also the link between the microscopic energetics and dynamics and the macroscopic thermodynamics and kinetics can be made. As examples, I will discuss our results for oxygen ion conductors and proton conductors [2,3]. <br />The second topic is concerned with the number of components in a material. Nowadays, most materials in Solid State Ionics are multicomponent materials containing, e.g., three or more chemical elements. Thermodynamically, this is a challenge as the phase diagrams become rather complicated and are mostly unknown. On the other hand, there is another subtle problem which is concerned with the number of mobile species. Historically, in solid state kinetics only two mobile species were considered, e.g., two mobile cations during interdiffusion or one mobile anion and electrons in mixed conductors. The situation becomes, however, more complicated if there are three mobile species, e.g., two ionic defects and one electronic defect. I will discuss corresponding examples and the thermodynamic and kinetic implications [4,5].

References:
[1] S. Grieshammer, M. Martin, J. Mater. Chem. A 5 (2017) 9241-9249.\n[2] J. Koettgen, S. Grieshammer, P. Hein, B. Grope, M. Nakayama, M. Martin, Phys.Chem.Chem.Phys. 20 (2018) 14291-14321. \n[3] F.M. Draber, C. Ader, J.P. Arnold, S. Eisele, S. Grieshammer, S. Yamaguchi, M. Martin, Nature Materials 19 (2020) 338–346.\n[4] H.-I. Yoo, M. Martin, Phys.Chem.Chem.Phys. 12 (2010) 14699-14705.\n[5] A. Falkenstein, R.A. De Souza, W.A. Meulenberg, M. Martin, Phys.Chem.Chem.Phys. 22 (2020) 25032-25041.

11:55: [SolidStateChemistryTueAM02] OS Keynote
Percolation Effects during Ionic Motion
Manfred Martin¹ ; ¹RWTH Aachen University, Aachen, Germany;
Paper Id: 236 [Abstract]

Interest in materials exhibiting oxygen ion and/or proton conduction has increased during the last years owing to their great importance for energy and environmental applications. <br />Ceria-based oxides are regarded as key oxide materials because rare earth-doped ceria shows a high oxygen ion conductivity even at intermediate temperatures. Using density-functional theory (DFT), we have investigated defect interaction and oxygen migration energies as well. By means of Kinetic Monte Carlo (KMC) simulations we then investigated the oxygen ion conductivity. We show that all interactions between the defects, namely vacancy-dopant attraction, dopant-dopant repulsion and vacancy-vacancy repulsion as well contribute to the so-called conductivity maximum of the ionic conductivity [1]. <br />BaZrO₃-based oxides are proto-type proton conductors. Using density-functional theory (DFT), we have investigated defect interaction and proton migration energies in Y-doped BaZrO₃. The macroscopic proton conductivity was then investigated by means of KMC simulations. We discuss the resulting proton conductivities concerning special percolation pathways for protons [2]. <br />Finally, we compare our theoretical results with experimental ones and discuss similarities and differences between oxygen ion and proton conductors.

References:
[1] J. Koettgen, S. Grieshammer, P. Hein, B. Grope, M. Nakayama, M. Martin, Phys.Chem.Chem.Phys. 20 (2018) 14291-14321.\n[2] F.M. Draber, C. Ader, J.P. Arnold, S. Eisele, S. Grieshammer, S. Yamaguchi, M. Martin, Nature Materials 19 (2020) 338–346.

12:20: [SolidStateChemistryTueAM03] OS
CONTRIBUTION TO MINERAL RESEARCH IN THE MUNICIPALITY OF ALGODAO DE JANDAIRA, STATE OF PARAIBA, BRAZIL, WITH EMPHASIS TO ALGODAO HILL
Francisco Souza¹ ; ¹IFPB, Campina Grande, Brazil;
Paper Id: 409 [Abstract]

The main objective of this work was to analyze and understand the geological and tectonic constitution of the municipality of Algodão de Jandaíra, state of Paraíba and offer a contribution to mineral research, whether local or regional, since the municipality is inserted in the Borborema Province in northeastern Brazil, rich in industrial and metallic minerals such as tantalite/columbite, gold, scheelite, gemological minerals (beryl, marine water, tourmalines), etc. The geochemical parameters were defined using the portable X-ray fluorescence analytical instrument (p-XFR) for some major elements, traces and light rare earth (ETR-L) elements in active stream sediments, basalt vein, in pegmatite dike and quartz veins, in order to enrich the scientific literature regarding the advancement of research on mineral potential in any regions of Borborema Province. The results obtained by p-XFR, when plotted in tables and graphs, contributed to the important interpretations on ore content, geochemical associations, magmatic evolution and contribution of hydrothermalism, geological and tectonic weathering in the geochemical mobilization of the elements. Field research shows that the tectonic modeling of the rocky bodies of the studied area has a strong local structural control exercised by the Pocinhos and Casserengue shear zones. The set was the target of strong compression, stretching, boudinagem and injection of veins. Tectonic reactivations of extensional character were responsible for the production of open fractures, orthogonal to the regional trend, allowing the intrusion of basalt veins, modeling the drainage pattern and generating vertical walls that served as a panel for rock art, with prehistoric paintings made by ancestors, such as the pedra da letra in the passagem river. The studies culminated in the preparation of the Course Completion Work.

References:
[1] CAVALCANTE, R; CUNHA, A, L, C; COSTA, A, P; DANTAS, A, R; Carta geológica-geofísica: folha SB.24-Z-B-VI Picuí. Recife: CPRM, mapa color. Escala 1:100.000. (Avaliação dos Recursos Minerais do Brasil). 2008.
[2] DA SILVA, M. R. Petrographical and geochemical investigations of pegmatites in the Borborema Pegmatitic Province of Northeastern Brazil. 306 f. Tese de Doutorado não publicada – Ludwig Maximilians Universität München, Munique, 1993.
[3] FIGUEIREDO, M.C.H. Introdução à geoquímica dos elementos terras raras. Bol. IG-USP, série científica, v.16, p. 15-31. 1985.
[4] GALINDO, A. C; JARDIM DE SÁ, E. F; NASCIMENTO, R. S. C; HOLLANDA, M. H. B. M;
[5] NASCIMENTO, M. A. L; LARDEAUX, J. M; Caracterização geoquímica e contexto geodinâmico dos granitoides alcalinos na porção oriental da Faixa Seridó (RN-PB). In: 17o Simpósio de Geologia do Nordeste (p. 263- 267.). Fortaleza, Boletim 15. 1997.
[6] HAWAI’IVON BASSENHEIM, D.W. Evaluation of portable XRF for characterizing basalts: a case study on ballistic blocks from Kilauea. Gac Mac Abstracts. 2019.
[7] HENDERSON, P. General geochemical properties and abundances of the rare earth elements. In: HENDERSON, P. (Ed.).i?are earth elements geochemistry, Amsterdam: Elsevier, p. 1-32. 1984.

12:45: [SolidStateChemistryTueAM04] OS
The Influence of Excess Fe on FeSe-type Superconductors: First Principles Calculations
Karel Carva¹ ; ¹Charles University, Praha 2, Czech Republic;
Paper Id: 289 [Abstract]

Iron-based unconventional superconductors with quasi-two-dimensional crystal structure have attracted intense interest after the critical temperature of FeSe was enhanced by more than one order of magnitude in the thin layer deposited on top of an insulating oxide substrate. In heterostructures comprising interfaces of FeSe with topological insulators, additional interesting physical phenomena are predicted to arise e.g. in the form of topological superconductivity [1]. Importantly, the tetragonal FeSe phase relevant for superconductivity is stabilized by excess Fe, leading to non-stoichiometric Fe(1+δ)Se compounds [2]. However, the number of first-principles computational studies considering excess Fe is limited. We have studied Fe(1+δ)Se employing the coherent potential approximation and the tight-binding linear muffin-tin orbital method, which are well suited for disordered systems and can treat systems with even a very small off-stoichiometry without the need for a large supercell. It also allows us to explicitly address the impact of chalcogen vacancies. Furthermore, we have examined the effect of chalcogen height for both FeSe and Fe(1+δ)Se. This parameter has been determined with only a limited accuracy so far, and it appears to affect the band structure significantly here. At an interface such geometrical properties can be strongly modified, as compared to the bulk case. Calculated band structures are compared to experimental ARPES data [3].

References:
[1] Liu, X., et al. Electronic structure and superconductivity of {FeSe}-related superconductors. J. Phys.: Condens. Matter 27 (2015) 183201
[2] Medvedev S et al, Nat. Mater. 8 (2009) 630
[3] Fikáček J. , et al, Step-edge assisted large scale FeSe monolayer growth on epitaxial Bi Se thin films. New J. Phys. 22 (2020) 073050

SESSION: SolidStateChemistryTuePM1-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Tue. 29 Nov. 2022 / Room: Andaman 1
Session Chairs: Hiroshi Kageyama; Session Monitor: TBA

14:00: [SolidStateChemistryTuePM105] OS
High sensitivity temperature probing of Mn4+ doped Li4Ti5O12 by lifetime-based luminescence thermometry
Zoran Ristic¹ ; Mina Medic¹ ; Vesna Djordjevic¹ ; Sanja Kuzman¹ ; Mikhail G. Brik² ; Miroslav Dramicanin¹ ; ¹University of Belgrade, Vinca Institute of Nuclear Sciences, Belgrade, Serbia and Montenegro; ²Institute of Physics, University of Tartu,, Tartu 50411, Estonia;
Paper Id: 63 [Abstract]

<p>In this work we utilise luminescent properties of Mn⁴⁺ doped Li₄Ti₅O₁₂ - a very promising material for ultrafast-charge-discharge and long-cycle-life batteries [1]. Applying lifetime-based luminescence thermometry on Mn⁴⁺ doped materials the remote and non-contact temperature readings are possible with great relative sensitivity [2-4].<br />The Mn⁴⁺ doped Li₄Ti₅O₁₂ samples were prepared by the one step solid-state method using stoichiometric amounts of Li₂CO₃, TiO₂ and MnO₂ at 850 ^oC to obtain cubic spinel structure with space group Fd-3m as confirmed by X-ray diffraction analysis. In this host, Mn⁴⁺ is in a strong crystal field providing the strong absorption around 500 nm due to ⁴A_2g &rarr;⁴T_2g electric spin-allowed electron transition and with emission around 679 nm on account of ²E_g &rarr;⁴A_2g spin forbidden electron transition. Due to the coupling to phonon modes of the host material [5] the change of radiative decay rate (radiative lifetime) starts at very low temperatures (&raquo;75 K). In addition, the low value of energy of ⁴T_2g level (20000 cm&minus;1) leads to the strong emission and radiative lifetime quenching starting at low temperatures (&raquo;250 K) which favours the use of this material for the luminescence thermometry in a broad temperature range. <br />Temperature dependences of photo-luminescent emission spectra and emission decay are measured over the 10&ndash;350 K range exhibiting quite large value of relative sensitivity (2.6% K&minus;1@330 K) that facilitates temperature measurements with temperature resolution better than 0.15 K around room temperature.</p>

References:
<p>[1] Bote Zhao, Ran Ran, Meilin Liu, Zongping Shao ; A comprehensive review of Li4Ti5O12-based electrodes for lithium-ion batteries: The latest advancements and future perspectives ; Materials Science and Engineering: R: Reports,Volume 98,Pages 1-71, 2015\n[2] Sekulić, M., Ristic, Z., Milićević, B., Antić, Ž., Đorđević, V., &amp; Dramićanin, M. D. (2019). Li1.8Na0.2TiO3:Mn4+: The highly sensitive probe for the low-temperature lifetime-based luminescence thermometry. Optics Communications, 452, 342&ndash;346.\n[3] Li F., Cai J., Chi F.F., Chen Y., Duan C., Yin M.Investigation of luminescence from luag: Mn4+ for physiological temperature sensing, Opt. Mater., 66 (2017), pp. 447-452,\n[4]Glais E., Đorđević V., Papan J., Viana B., Dramićanin M.D.MgTiO3:Mn4+ a multi-reading temperature nanoprobe, RSC Adv., 8 (2018), pp. 18341-18346,\n[5] Senden T., van Dijk-Moes R.J.A., Meijerink A. Quenching of the red Mn4+ luminescence in Mn4+-doped fluoride LED phosphors, Light Sci. Appl., 7 (2018), p. 8</p>

14:25: [SolidStateChemistryTuePM106] OS
LUMINESCENCE THERMOMETRY BASED ON NEAR-INFRARED EMISSION OF Yb3+,Er3+:YAG
Zeljka Antic¹ ; Jovana Periša² ; Aleksandar Ćirić³ ; Mina Medic² ; Ivana Zeković² ; Miroslav Dramicanin² ; Sanja Kuzman² ; ¹Vinca Institute of Nuclear Sciences, University of Belgrade, Belgrade, Serbia and Montenegro; ²University of Belgrade, Vinca Institute of Nuclear Sciences, Belgrade, Serbia and Montenegro; ³Vinča Institute of Nuclear Sciences, Knjaževac, Serbia and Montenegro;
Paper Id: 62 [Abstract]

<p>Temperature plays an essential role in biological systems, affecting a variety of their properties. For example, the cell division rate, and consequently tissue growth, are both critically influenced by temperature. The precise measurement of temperature is needed for both early diagnosis and treatment of malignant diseases. Nowadays, luminescence thermometry is considered to be a promising tool for non-invasive bio-thermal-imaging [1]. For such use, the biocompatible and near-infrared-emitting nanoparticles showing the strong temperature dependence of emission are urgently needed. Working within a near-infrared spectral region (the first and second biological windows) overcomes small light penetration lengths occurring with visible-emitting nanoparticles since in biological windows the extinction coefficient of tissues is low due to a simultaneous reduction in both tissue scattering and absorption coefficients [2]. Herein, well-known Yb3+,Er3+-doped yttrium aluminium garnet (YAG) nanopowder is prepared by the combustion method. The cubic structure of the material was confirmed by X-ray diffraction measurements, while UV-Vis-NIR diffuse reflectance showed typical Yb3+/Er3+ absorption bands. We have investigated the temperature dependence of near-infrared emission of the phosphor aiming to compare the thermometric performances of two different read-outs: i) changes in the intensities of emission bands and ii) changes in the emission bands position and bandwidths. Temperature dependant near-infrared emission spectra were measured in the 1000-1550 nm spectral range upon 980 nm excitation. Following combinations were investigated: i) luminescence intensity ratio of 1470/1530 nm Er3+ emission lines; ii) luminescence intensity ratio of 1030 nm Yb3+ and two Er3+ emission lines (1470 and 1530 nm); iii) Yb3+ emission band position and iv) Yb3+ emission bandwidth (FWHM). Among investigated read-out approaches, the most important figures of merit, absolute and relative sensitivities, and temperature resolutions have been calculated and compared.</p>

References:
<p>[1] M. D. Dramićanin, Luminescence Thermometry, Imprint Woodhead Publishing, Elsevier Science: Cambridge, United Kingdom (2018) [2] B. del Rosal, A. P&eacute;rez-Delgado, M. Misiak, A. Bednarkiewicz, A. S. Vanetsev, Y. Orlovskii, D. J. Jovanović, M. D. Dramićanin, U. Rocha, K. Upendra Kumar, C. Jacinto, E. Navarro, E. Mart&iacute;n Rodr&iacute;guez, M. Pedroni, A. Speghini, G. A. Hirata, I. R. Mart&iacute;n, D. Jaque, J. Appl. Phys., 118 (2015) 143104 (11p).</p>

14:50: [SolidStateChemistryTuePM107] OS
Fixing the Misuse of Cohesive-Energies in Modeling Transition Metals & Nanoalloys
Micha Polak¹ ; Leonid Rubinovich¹ ; ¹Ben-Gurion University of the Negev, Beer-Sheva, Israel;
Paper Id: 245 [Abstract]

In spite of free-atom electronic-relaxation contributions to transition-metal cohesive-energies (E_coh), numerous studies have misused the latter instead of using genuine interatomic bond-energies (E_b) in modeling bulk and surface properties [1-2], including atomistic-potential parametrization for nanoalloys. The required E_coh modification consists of s to d electronic promotion energy plus the magnetic spin-polarization energy (in accordance with Hund’s first rule). The latter was computed [3] for the 3d, 4d and 5d series using the local spin-density approximation (LSDA), whereas the former was obtained from spectroscopic data. This work first reveals that eliminating these free-atom contributions from experimental cohesive-energies leads to highly accurate linear correlations of the resultant bond-energies with melting temperatures and enthalpies, as well as with inverse thermal-expansion coefficients, specifically for the fcc transition-metals. In addition, predictions of surface segregation phenomena in Cu-Pd and Au-Pd bulk alloys on the basis of the correct energetics are in much better agreement with reported LEISS experimental results. A distinctive demonstration of the problem and its solution involves the significant impact of the cohesive-energy modification on segregation (separation) phase transitions in Cu-Ni truncated-octahedron nanoalloys. In particular, without the correction destabilization of Janus configuration in favor of core-shell is erroneously obtained. Preliminary computations for Cu-Ni-Pd ternary nanoalloys reveal significant effects of Pd and of the fixed energetics on chemical-order and transition temperatures. Generally, the introduced correction procedure should be applicable also to other bond-energy related properties of any transition metals, alloys as well as nanoalloys.

References:
REFERENCES:
[1] R. Vardi, L. Rubinovich, M. Polak, Surf. Sci. 602 (2008) 1040-1044.
[2] M. Polak and L. Rubinovich, J. Phys.: Condens. Matter 31 (2019) 215402.
[3] M.S.S. Brooks and B. Johansson, J. Phys. F: Met. Phys. 13 (1983) L197-L202.

15:15: [SolidStateChemistryTuePM108] OS
The use of M. Faraday's works for the development of technologies in metallurgy and chemistry
Essen Suleimenov¹ ; Rustam Sharipov² ; Bolysbek T. Utelbayev³ ; ¹Kazakh British Technical University, Almaty, Kazakhstan; ²Kazakh-British Technical University, Almaty, Kazakhstan; ³Kazakh-British Technical University, Almaty 050000, Kazakhstan;
Paper Id: 354 [Abstract]

The huge experimental material presented in the world scientific literature confirms the correctness of M. Faraday's views on the effect of electric current on chemical reactions. The key points in the development of scientific ideas on the nature and the mechanism of physicochemical processes are the following provisions of the works of M. Faraday: the identity of energy manifestations in the interaction of material objects and the discrete nature of the electric current. Theories developed without taking into account the works of M. Faraday made it possible to disregard the identity of energy manifestations in the interaction of material objects. This circumstance also influenced the lack of attention to the use of the discreteness of the electric current for practical application. We have shown that a change in a wide range of electrical signal parameters can promote unusual chemical reactions and physicochemical processes at the interface and in condensed systems. For example, we found that under the influence of electromagnetic fields, the electrical conductivity of melts can decrease with increasing temperature and change at a constant temperature. Crossed electromagnetic fields cause phase and quantitative division of melts, both synthetic oxide melts and oxide-sulfide multicomponent systems, etc. etc. We need specific knowledge about production objects: solid, gaseous and liquid. If with the first two objects the situation is more or less acceptable, then modern science knows surprisingly little about the liquid. The discussion about the structure of liquid systems has not stopped for over a hundred years. The official scientific point of view on the nature of liquids was formed at the beginning of the 20th century, when the outstanding Swedish scientist Svante Arrhenius received the Nobel Prize in Chemistry in 1903. The prize was awarded to him "... for his services to the development of chemistry with his electrolytic theory of dissociation" (1903 to Professor S. Arrhenius, Stockholm, for the services he has rendered to the advancement of chemistry by his electrolytic theory of dissociation). His theory was supported by Nernst and Tubandt. This served as the basis for considering the Arrhenius theory as a scientific fact, and not as an assumption. Over time, this theory became the official scientific point of view, and was called the "theory of electrolytic dissociation." Undoubtedly, the theory of S. Arrhenius, an outstanding scientist-chemist, had a significant impact on the development of technologies using the electrolysis process. The success of this theory for use in creating technologies in metallurgy was due to the availability of high quality raw materials. With the deterioration of the mineral resource base, the struggle of scientific ideas around the question of liquid has grown for metallurgists from a scientific field to a purely practical one. Fundamental concepts existing in world science have long ceased to satisfy practice. Changing theoretical concepts will cause a stream of non-standard technical solutions. Our experimental data can serve as a basis for creating effective technological processes. Some examples are presented below. 1. If we approach the problem of the structure of aluminate solutions, the presence of undissociated molecules in the solution made it possible to propose a method for the decomposition of aluminate solutions by the method of reversal of molecular dipoles "along the field" with the subsequent destruction of intermolecular bonds and destruction of molecular complexes. 2. Similarly, the use of the physical parameters of the electric current for the directed orientation of molecular complexes in melts makes it possible to propose a number of methods for reducing the loss of metals in the course of pyrometallurgical processes. 3. The use of the properties of the molecular nature of the structure of oils, in particular the presence of triboelectric effects at the interface of molecular structures, makes it possible to create technologies for corrosion protection of pipelines and equipment in the oil refining industry. 4. Taking into account Faraday's thesis on the identity of energy manifestations in the interaction of material objects made it possible to use the frequency-amplitude characteristics of plastic deformation and destruction of materials and structures to create technical solutions for the physical and mechanical strengthening of metal products.

SESSION: SolidStateChemistryTuePM2-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Tue. 29 Nov. 2022 / Room: Andaman 1
Session Chairs: Miguel Angel Alario Franco; Session Monitor: TBA

15:55: [SolidStateChemistryTuePM209] OS
Highly-sensitive Luminescence Thermometry of Sm2+ doped in Al2O3 Coatings
Aleksandar Ćirić¹ ; Zoran Ristic² ; Zeljka Antic³ ; Ivana Zeković² ; Stevan Stojadinović⁴ ; Mikhail G. Brik⁵ ; Miroslav Dramicanin² ; ¹Vinča Institute of Nuclear Sciences, Knjaževac, Serbia and Montenegro; ²University of Belgrade, Vinca Institute of Nuclear Sciences, Belgrade, Serbia and Montenegro; ³Vinca Institute of Nuclear Sciences, University of Belgrade, Belgrade, Serbia and Montenegro; ⁴University of Belgrade, Faculty of Physics, Belgrade, Serbia and Montenegro; ⁵Institute of Physics, University of Tartu,, Tartu 50411, Estonia;
Paper Id: 64 [Abstract]

<p><strong>Summary </strong> &gamma;-Al-2O3:Sm²⁺ coatings were synthesized by the plasma electrolytic oxidation (PEO). The emissions originate from 4f⁵5d¹&rarr;4f⁶ and 4f⁶&rarr;4f⁶ transitions of Sm²⁺. The emission spectra, recorded from 300 K to 673 K, reveled the rapid diminution of the ⁵D₀&rarr;⁷F_J transitions with increasing temperature. The 5d&rarr;4f broad-band emission increases in intensity up to 225 &deg;C. The high-luminescence intensities and opposite intensity vs temperature trends of these emissions are an indication of the high sensitivities and low temperature resolution. The luminescence intensity ratio (LIR) are well-fitted to the Boltzmann distribution and the energy-crossover model with relative sensitivities: 3.5 %K-1 @ 300 K and 1.5 %K-1 @ 540 K. <strong>Introduction</strong> Sm2+ has a wide excitation band [1]. The emission spectrum of Sm²⁺ features a broad-band due to 5d-4f transition and a series of sharp peaks due to 4f-4f transitions. The discovery of Al₂O₃:Sm²⁺ [1] provided an opportunity for the investigation of this material as temperature sensor. The indications of its high potential for the phosphor thermometry were the existence of both the 5d-4f and 4f-4f emissions, high emission intensities, wide choice of excitation wavelengths, and the sole importance of the substrate material itself. The significant overlap of 5d with ⁵D₀ level is an indication of the highly efficient f-f transitions [2]. The complete thermometric analysis was carried out. <strong>Methods</strong> 99.9% pure aluminium, 6061 and 7075 aluminium alloys were used as anode during the PEO. XRD was used for investigation of the coating crystallinity. High-stability 473 nm laser was used as an excitation source. The beams were transferred via a fiber-optic bundle. Emission spectra were recorded by the high-resolution spectrograph. The samples were placed on the liquid nitrogen cooled hot/cold stage. <strong>Results</strong> Emission spectra for LIR and LT were recorded from 100 K to 673 K. The ⁵D₀&rarr;⁷F_J emissions rapidly drop with increasing temperature, while the 4f-5d increases up to 225 &deg;C. LIR is estimated from the ratio of 5d-4f and 4f-4f transitions, giving the excellent relative sensitivity values. Luminescence lifetime of ⁵D₀&rarr;⁷F₀ is fitted to the energy crossover model [3], with maximum relative sensitivity 1.5 %K-1 @ 540 K. <strong>Conclusions</strong> A steady-state and time-resolved thermometry on a wide temperature range was carried out on the highly luminescent phosphor incorporated in the coatings of possibly the most important industrial material. LIR following Boltzmann distribution showed sensitivity among the highest ever recorded. The lifetime rapidly drops with increasing temperature.</p>

References:
<p>[1] S. Stojadinović, N. Tadić, R. Vasilić, Photoluminescence of Sm2+ / Sm3+ doped Al2O3 coatings formed by plasma electrolytic oxidation of aluminum, J. Lumin. 192 (2017) 110&ndash;116. https://doi.org/10.1016/j.jlumin.2017.06.043. [2] M. Tanaka, T. Kushida, Interference between Judd-Ofelt and Wybourne-Downer mechanisms in the 5D0-7FJ (J=2,4) transitions of Sm2+ in solids, Phys. Rev. B. 53 (1996) 588&ndash;593. https://doi.org/10.1103/PhysRevB.53.588. [3] M. Sekulić, Z. Ristić, B. Milićević, Ž. Antić, V. Đorđević, M.D. Dramićanin, Li1.8Na0.2TiO3:Mn4+: The highly sensitive probe for the low-temperature lifetime-based luminescence thermometry, Opt. Commun. 452 (2019) 342&ndash;346. https://doi.org/10.1016/j.optcom.2019.07.056.</p>

16:20: [SolidStateChemistryTuePM210] OS Keynote
Functional Oxide thin film for electronic and medical applications
Wilfrid Prellier¹ ; ¹CNRS, Caen, France;
Paper Id: 275 [Abstract]

Transition metal oxides often having a perovskite structure form a wide and technologically important class of compounds. In these systems, ferroelectric, ferromagnetic, ferroelastic, or even orbital and charge orderings can develop and eventually coexist. These orderings can be tuned by external electric, magnetic, or stress field, and the cross-couplings between them enable important multifunctional properties, such as piezoelectricity, magneto-electricity, or magneto-elasticity. Here, will illustrate with different examples of utilization of oxide films. First, by growing PrVO3 thin films epitaxially on an SrTiO3 substrate, I will show that the role of oxygen vacancies can be rationalized to introduce a chemical strain similar to the so-called mechanical strain (±2%), which in turns produce a nontrivial evolution of Néel temperature in a range of 30 K. I will also present the effect of thickness, and other substrates. Second, I will show that they can also be used as bio-adaptive surfaces, a field of research which is clearly unexplored. For this, we prepared a series of oxide thin films by the pulsed laser deposition technique, grown mesenchymal stem cells on these surfaces, and studied their adhesion and proliferation. We will discuss the feasibility of different thin films to promote appearance of multicellular structures with a better performance in terms of cell proliferation. These results will confirm the potential of such materials for various applications in electronic or medicine.

16:45: [SolidStateChemistryTuePM211] OS
Resources from Mars, the Moon, and asteroids: Sustainably Prospecting for Materials in Space.
Kevin Hubbard¹ ; Linda Elkins Tanton² ; ¹Arizona State University; European Space Resources Innovation Center, Luxembourg City, Luxembourg; ²Arizona State University, Tempe, United States;
Paper Id: 233 [Abstract]

In order to achieve a sustainable human presence on the Moon, Mars, and beyond, humanity must develop the capability to provide as close to 100% supply of resources in-situ as possible. Achieving this goal will require development of technologies to locate, extract, process, generate, and utilize said resources. To date, contemporary in-situ resource utilization-based space exploration architectures typically focus on the production of resources that have the most value for initial use in space such as O₂, H₂, and H₂O for the production of propellant and life support consumables [1]. However, critical metals indispensable to the terrestrial global economy such as Ni, Cu, Co, and the platinum-group elements will also likely be required to support the endeavor of becoming a multi-planetary species [2,3], and on this topic Mars becomes the focus. Based off compositional and petrographic similarities between terrestrial mantle-derived mafic/ultramafic magmas, meteorites known to come from Mars, and the physicochemical characteristics of the Martian surface, it is likely that massive and disseminated sulfide ores, which host these precious resources, were deposited at or near the surface [4,5]. In order to validate this belief, a more thorough exploration campaign is required to properly assess whether Mars is an ore-rich planet. Thus, this paper will provide an overview on the current state of knowledge and technologies available for prospecting for magmatic sulfide ores on Mars, with a particular focus on the capacity and necessity of integrating sustainable practices in upcoming space missions focused on in-situ resource utilization. Additionally, potential use cases of metals derived from magmatic sulfide ores in the space industry are considered.

References:
[1] International Space Exploration Coordination Group Technology Working Group. 2019. Global Exploration Roadmap Critical Technology Needs. Retrieved from: https://www.globalspaceexploration.org/wp-content/uploads/2019/12/2019_GER_Technologies_Portfolio_ver.IR-2019.12.13.pdf\n[2] Zientek, M.L., Loferski, P.J., Parks, H.L., Schulte, R.F., and R.R. Seal II. 2017. Platinum-Group Elements chap. N. In: Critical Mineral Resources of the United States–Economic and Environmental Geology and Prospects for Future Supply: U.S. Geological Survey Professional Paper 1802. p. N1–N91..Eds: Schulz, K.J., DeYoung, J.H., Seal II, R.R. and D.C. Bradley. https://doi.org/10.3133/pp1802N\n[3] Naldrett, A.J. 2010. Magmatic sulfide deposits–Geology, geochemistry, and exploration. Berlin, Germany. Springer-Verlag. P. 727. \n[4] Baumgartner, R.J., Fiorentini, M.L., Baratoux, D., Micklethwaite, S., Sener, A.K., Lorand, J.P. and T.C. McCuaig. 2015. Magmatic controls on the genesis of Ni–Cu±(PGE) sulphide mineralization on Mars. Ore Geology Reviews, 65:400–412.\n[5] Burns, R. and D. Fisher. 1990. Evolution of Sulfide Mineralization on Mars. Journal of Geophysical Research, 95(B9):14169–14173.

17:10: [SolidStateChemistryTuePM212] OS
A Brief History of Entropy
Samirkumar Saha¹ ; ¹Jadavpur University, KOLKATA, India;
Paper Id: 163 [Abstract]

This paper will cover the evolution of the idea of ‘Entropy’ from the idea of temperature(1) and engines to the Second Law of Thermodynamics which has churned out scientific paradigms and raised philosophical questions; then the origin of the ‘entropy’ as a classical thermodynamics property by Rudolph Clausius in 1865(2), its statistical thermodynamical interpretation by Ludwig Boltzmann in 1877(3), and the using of ‘entropy’ in the Information Theory in 1948 by Claude Shannon(4), opening up its application and interpretation in newer fields – which seems to be an ongoing process. Application of the ‘entropy’ concept has been in all branches of Engineering (particularly Mechanical, Chemical and Metallurgical), Physics (from Classical to Molecular)(5), Physical Chemistry(6), recently in Information Theory, very recently in Quantum Computing, Reverse Computing. Also, there is the process of entropy generation and its minimization ideas and their application in the Design of Nature by Bejan(7). A Mosaic of Ideas, entropy concept has remained enigma in the field of History of Science. The paper will trace the application of the phenomena of rise in temperature and the engine concept in the Hellenistic period (Galen & Hero) to Renaissance Europe (Galileo) to the evolution of Steam Engine, the 2nd Law of Thermodynamics, Chemistry and Information Theory. In India, around 1100 AD, the perpetual motion machine is mentioned but not ‘entropy’, though ‘transformation’ (the Greek word’s meaning) has been a widely discussed topic in Philosophy and Chemistry in India(8). This review will be useful not only to understand ‘entropy’ but also to show the universal spread of the nature of Science and Technology. This seems to be a path along which we travel, more than a ‘point property’. Keywords: Second Law, entropy, entropy generation, disorder of molecules, information theory, thermal equilibrium.

References:
1. Smorodinsky Y.A.: Temperature, Mir Publishers, 1984
2. Kerstin J ed : The Second Law of Thermodynamics, Dowden, Hutchinson & Ross, 1976, pp. 133-193
3. Sharp K and Matschinsky, F: Translation of Ludwig Boltzmann’s paper “On the Relationship between the Second Fundamental Theorem of the Mechanical Theory of Heat and Probability Calculations Regarding the Conditions for Thermal Equilibrium” (1877), Entropy, 2015, 17, 1971-2009; doi:10.3390/e 17041971 (open access)
4. Brillouin L., Science and the Information Theory, Academic Press, 1962
5. Mateev, A.N. : Molecular Physics, Mir Publishers, First English Translation, 1985
6. Ben-Naim, Arieh : The Four Laws that do not Drive the Universe, World Scientific, 2018
7. Bejan A, Zane, J.P. : Design in Nature, Anchor Books, 2013
8. Coppersmith J: Energy, the Subtle Concept – discovery of Feynman’s Blocks from Leibniz to Einstein, Revised Edition, Oxford University Press, 2015, pp. 7-8

SESSION: ModellingMaterialsWedAM-R6	Modelling, Materials & Processes Interdisciplinary symposium for sustainable development
Wed. 30 Nov. 2022 / Room: Andaman 1
Session Chairs: Kamyar M. Davoudi; Yannis Kevrekidis; Session Monitor: TBA

11:30: [ModellingMaterialsWedAM01] OL Plenary
No equations, no variables, no space, no time: Data and the modeling of complex
Yannis Kevrekidis¹ ; ¹John Hopkins Whiting School of Engineering, Baltimore, United States;
Paper Id: 512 [Abstract]

Obtaining predictive dynamical equations from data lies at the heart of science and engineering modeling, and is the linchpin of our technology. In mathematical modeling one typically progresses from observations of the world (and some serious thinking!) first to equations for a model, and then to the analysis of the model to make predictions. Good mathematical models give good predictions (and inaccurate ones do not) - but the computational tools for analyzing them are the same: algorithms that are typically based on closed form equations. While the skeleton of the process remains the same, today we witness the development of mathematical techniques that operate directly on observations -data-, and appear to circumvent the serious thinking that goes into selecting variables and parameters and deriving accurate equations. The process then may appear to the user a little like making predictions by "looking in a crystal ball". Yet the "serious thinking" is still there and uses the same -and some new- mathematics: it goes into building algorithms that jump directly from data to the analysis of the model (which is now not available in closed form) so as to make predictions. Our work here presents a couple of efforts that illustrate this ``new” path from data to predictions. It really is the same old path, but it is travelled by new means.

11:55: [ModellingMaterialsWedAM02] OL Keynote
Characteristic length parameters in nonsingular theories of dislocations
Kamyar M. Davoudi¹ ; ¹Avidemia Education Inc., Vancouver, Canada;
Paper Id: 348 [Abstract]

Many important properties of crystalline materials are controlled by the dislocation core. There have been many attempts to remove the elastic field singularities at the dislocation core. Three of the most common methods for regularizing the elastic fields are: (1) considering a cutoff parameter, (2) spreading the Burgers vector in all directions as proposed by Cai et al., (2006. A non-singular continuum theory of dislocations. J. Mech. Phys. Solids, 54, 561–587), and (3) using gradient elasticity. Each of these methods requires an extra parameter with the dimension of length. We show that these characteristic length parameters can significantly affect the results of the discrete dislocation simulations. By comparing with the results of atomistic simulations, we show how the core energy should be included if an arbitrary constant is chosen for the characteristic parameters for each of these three nonsingular theories of dislocations.

12:20: [ModellingMaterialsWedAM03] OL Plenary
“Materials Intelligence” – a concept for creating robotic functionality using multi-stimuli-responsive materials
Alfonso Ngan¹ ; ¹University of Hong Kong, Pokfulam, Hong Kong;
Paper Id: 341 [Abstract]

In this talk, Material Intelligence (MI) will be introduced as a novel concept and key enabling technology for insect-scale robotics for new engineering applications. MI is defined here to be the science, methodology and application of materials with the abilities to sense and respond to stimuli, and adapt to/learn from their environments for robotic applications to accomplish desired tasks. With a delocalized suite of functions MI enables intelligent robotic systems to be constructed at the insect scale where conventional sensors and actuators (such as electromagnetic, pneumatic or hydraulic motors) are too bulky to be employed. Through the discovery of new materials exhibiting stimuli-induced chemo/physio-mechanical reactions or phase transformations, and development of methods for their integration to achieve compact material systems with intelligent capabilities, MI enables robotic devices to be built at the insect scale. MI will be illustrated in this talk using visible-light-driven, dual-responsive materials such as manganese-based oxides, which exhibit high actuation performance and electrical resistivity changes under light illumination. Utilizing these properties, compact micro-robotic devices capable of self-sensing and responding to visible light to perform complex motions along multi-selectable configurational pathways are fabricated. Intelligent robotic functions including self-adapting load lifting, object sorting, and on-demand structural stiffening are demonstrated in these devices. This talk will also present novel enabling techniques including direct printing of robots using open-electrodeposition and key chemo-mechanics principles for analyzing robotic performances. The concepts demonstrated here lay down a solid foundation for creating robotic intelligence using multi-stimuli-responsive materials.

12:45: [ModellingMaterialsWedAM04] OS
Switchable Polarization in Mn Embedded Graphene
Mazia Asghar¹ ; Hamid Ullah¹ ; ¹Riphah Internationaluninversity, Lahore Campus, Pakistan, Lahore, Pakistan;
Paper Id: 439 [Abstract]

Graphene, despite its many unique properties, is neither intrinsically polar due to inversion symmetry nor magnetic. However, based on density functional theory, we find that Mn, one of the transition metals, embedded in single or double vacancy (Mn@SV and Mn@DV) in a graphene monolayer induces a dipole moment perpendicular to the sheet, which can be switched from up to down by Mn penetration through the graphene. Such switching could be realized by an external stimulus introduced through the tip of a scanning probe microscope, as already utilized in the studies of molecular switches. We estimate the energy barriers for dipole switching, which are found to be 2.60 eV and 0.28 eV for Mn@SV and Mn@DV, respectively. However, we propose a mechanism for tuning the barrier by applying biaxial tensile strain. We find that 10% biaxial tensile strain, already experimentally achievable in graphene-like two-dimensional materials, can significantly reduce the barrier to 0.16 eV in Mn@SV. Moreover, in agreement with previous studies, we find a high magnetic moment of 3 μB for both Mn@SV and Mn@DV, promising the potential of these structures in spintronics and nanoscale electro-mechanical or memory devices.

References:
Polarization
Switching
Graphene

SESSION: ModellingMaterialsWedPM1-R6	Modelling, Materials & Processes Interdisciplinary symposium for sustainable development
Wed. 30 Nov. 2022 / Room: Andaman 1
Session Chairs: Elias Aifantis; Michael Zaiser; Session Monitor: TBA

14:00: [ModellingMaterialsWedPM105] OL Plenary
Newton / Hooke, Fick / Fourier, and Coulomb / Maxwell revisited
Elias Aifantis¹ ; ¹Aristotle University of Thessaloniki, Thessaloniki, Greece;
Paper Id: 349 [Abstract]

The talk ventures to describe a high-risk proposal to extend classical laws of mechanics and physics by enhancing them with a Laplacian term accounting for nonlocality and underlying heterogeneity effects. The approach is motivated by a robust gradient model of the classical theory of elasticity which in the last two decades has been shown very useful in eliminating undesirable singularities and interpreting size effects. Implications to a variety of unsettled questions across scales and disciplines are outlined.

References:
E.C. Aifantis, Internal length gradient (ILG) material mechanics across scales & disciplines, Adv. Appl. Mech. 49, 1-110 (2016).
E.C. Aifantis, Gradient extension of classical material models: From nuclear & condensed matter scales to earth & cosmological scales, In: E. Ghavanloo, S.A. Fazelzadeh, F. Marotti de Sciarra (eds), Size-Dependent Continuum Mechanics Approaches. Springer Tracts in Mechanical Engineering, Springer, pp. 417-452 (2021).

14:25: [ModellingMaterialsWedPM106] OL Plenary
Newton / Hooke, Fick / Fourier, and Coulomb / Maxwell revisited [K]
Elias Aifantis¹ ; ¹Aristotle University of Thessaloniki, Thessaloniki, Greece;
Paper Id: 374 [Abstract]

The talk ventures to describe a high-risk proposal to extend classical laws of mechanics and physics by enhancing them with a Laplacian term accounting for nonlocality and underlying heterogeneity effects. The approach is motivated by a robust gradient model of the classical theory of elasticity which in the last two decades has been shown very useful in eliminating undesirable singularities and interpreting size effects. Implications to a variety of unsettled questions across scales and disciplines are outlined.

References:
E.C. Aifantis, Internal length gradient (ILG) material mechanics across scales &disciplines, Adv. Appl. Mech. 49, 1-110 (2016).
E.C. Aifantis, Gradient extension of classical material models: From nuclear & condensed matter scales to earth & cosmological scales, In: E. Ghavanloo, S.A. Fazelzadeh, F. Marotti de Sciarra (eds), Size-Dependent Continuum Mechanics Approaches. Springer Tracts in Mechanical Engineering, Springer, pp. 417-452 (2021).

14:50: [ModellingMaterialsWedPM107] OS Plenary
Giant strength of metal nano- and microparticles
Eugen Rabkin¹ ; ¹Department of Materials Science and Engineering, Technion, Technion, Israel;
Paper Id: 343 [Abstract]

We studied the uniaxial compression behavior of micro- and nanoparticles of several elemental metals (Au [1], Ni [2], Ag [3], Mo [4]) and alloys (Ni-Fe, Ni-Co [5], Au-Ag). The particles were obtained by solid state dewetting of thin metal films and multilayers deposited on sapphire substrates. The high homological temperatures employed in the dewetting process ensure the low concentration of dislocations and their sources in the particles. The particles compressed with a flat diamond punch exhibit purely elastic behavior up to very high values of strain approaching 10%, followed by a catastrophic plastic collapse. The uniaxial yield strength of the particles defined as an engineering stress at the point of catastrophic collapse reached the astonishing values of 34 GPa and 46 GPa for the smallest faceted particles of Ni and Mo, respectively. The atomistic molecular dynamic simulations of the particle compression demonstrated that the catastrophic plastic yielding of the particles is associated with the multiple nucleation of dislocations at the facet corners or inside the particles. The latter, homogeneous nucleation mode resulted in higher particle strength. The size effect in compression was observed both in the experiments and in atomistic simulations, with smaller particles exhibiting higher compressive strength. In contrast with the solute hardening observed in bulk alloys, alloying the pure metal nanoparticles with a second component resulted in significant decrease of their strength. Finally, we produced Au-Ag core-shell nanoparticles by coating the single crystalline Ag nanoparticles with a polycrystalline Au shell. The core-shell nanoparticles exhibited much lower strength than their single crystalline pure Ag counterparts. We related this decrease in strength with the activity of grain boundaries in the polycrystalline Au shell.

References:
1. D. Mordehai, S.-W. Lee, B. Backes, D.J. Srolovitz, W.D. Nix, E. Rabkin, Size effect in compression of single-crystal gold microparticles, Acta mater. 59 (2011) 5202-5215
2. A. Sharma, J. Hickman, N. Gazit, E. Rabkin, Y. Mishin, Nickel nanoparticles set a new record of strength, Nature Communications 9 (2018) 4102
3. A. Sharma, N. Gazit, L. Klinger, E. Rabkin, Pseudoelasticity of metal nanoparticles is caused by their ultra-high strength, Advanced Functional Materials 30 (2020) 1807554
4. A. Sharma, R. Kositski, O. Kovalenko, D. Mordehai, E. Rabkin, Giant shape- and size-dependent compressive strength of molybdenum nano- and microparticles, Acta mater. 198 (2020) 72-84
5. A. Bisht, R.K. Koju, Y. Qi, J. Hickman, Y. Mishin, E. Rabkin, The impact of alloying on defect-free nanoparticles exhibiting softer but tougher behavior , Nature Communications 12 (2021) 2515

15:15: [ModellingMaterialsWedPM108] OS Plenary
Data analytic approaches to materials failure - from the atomic to the geoscale
Michael Zaiser¹ ; ¹Friedrich-Alexander U. Erlangen, Nuremburg, Germany;
Paper Id: 342 [Abstract]

Materials failure has for decades been considered one of the paradigmatic multiscale phenomena, involving processes from the atomic to the systems scale. On the continuum level, a well established approach is provided by the laws of fracture mechanics established by Griffith's seminal work exactly a century ago. However, the relationship between key concepts of fracture mechanics such as fracture toughness on the one hand, and parameters characterizing the microstructure of materials from the atomic to the grain scale on the other hand, remains poorly understood. The same is true for the transition from diffuse accumulation of damage to the formation and propagation of a macroscopic crack. Data analytic approaches may offer new pathways towards closing the gap between discrete and continuous descriptions of material microstructures undergoing failure under load. We illustrate this on a range of examples from the atomic to the geo-scale. On the atomic level, we show how machine learning methods can be used to identify local atomic configurations prone to irreversible change under load, and how continuum mechanics concepts can provide essential 'domain knowledge' in approaching this task. On the mesoscale, we demonstrate how network theoretical concepts can be used to identify potential failure locations in load-carrying structures that can be mapped onto networks transmitting linear momentum. Finally, on the macroscale, we discuss how macroscopic monitoring data can be used to predict imminent failure under load.

SESSION: ModellingMaterialsWedPM2-R6	Modelling, Materials & Processes Interdisciplinary symposium for sustainable development
Wed. 30 Nov. 2022 / Room: Andaman 1
Session Chairs: Constantinos Vayenas; Paul Steinmann; Session Monitor: TBA

15:55: [ModellingMaterialsWedPM209] OS Plenary
Rotating Lepton Model (RLM) vs the Standard Model (SM) – Simplicity vs Complexity
Constantinos Vayenas¹ ; ¹University of Patras, Patras, Greece;
Paper Id: 514 [Abstract]

The key features will be presented of the Standard Model (SM) [1] and of the Rotating Lepton Model (RLM) [2] of composite particles. They both seek to describe the nature and structure of matter, i.e. of quarks, baryons, mesons and bosons, at the subatomic level. They differ in the number of elementary particles (17 in the SM vs 5 in the RLM), in the number of forces (four in the SM, vs only two in the RLM) and in the number of unknown parameters (26 in the SM vs none in the RLM). The RLM is a Bohr-type model which combines gravity with special relativity [3] and with the de Broglie equation of quantum mechanics [4] to compute the relativistic masses of extremely fast gravitational confined neutrinos rotating on fm size circular orbits. The relativistic masses of these very fast neutrinos reach the masses of quarks [5,6] and this allows for the computation of composite particle masses (e.g. of hadrons and bosons) which are found to be in excellent agreement with experiment (within 2%) without any adjustable parameters.

References:
[1] D. Griffiths, Introduction to Elementary Particles. (2nd ed. Wiley-VCH Verlag GmbH & Co. KgaA, Weinheim, 2008).
[2] C. G. Vayenas, S. N.-A. Souentie, Gravity, special relativity and the strong force: A Bohr-Einstein-de Broglie model for the formation of hadrons. (Springer, NY, 2012).
[3] A. Einstein, Zür Elektrodynamik bewegter Körper. Ann. der Physik. 17, 891 (1905); English translation “On the Electrodynamics of Moving Bodies” by G.B. Jeffery and W. Perrett (1923).
[4] L. de Broglie, Waves and Quanta. Nature 112, 540 (1923).
[5] C.G. Vayenas, D. Tsousis and D. Grigoriou, Computation of the masses, energies and internal pressures of hadrons, mesons and bosons via the Rotating Lepton Model. Physica A, 545, 123679 (2020).
[6] “The rotating lepton model: Combining fundamental theories”, Research Features, 135, 000-000 (2021). https://researchfeatures.com/rotating-lepton-model-combining-fundamental-theories/

16:20: [ModellingMaterialsWedPM210] OS Plenary
Computational Approaches Exploring the COVID-19 Pandemic
Paul Steinmann¹ ; ¹Friedrich-Alexander University, Erlangen, Germany;
Paper Id: 513 [Abstract]

This lecture will showcase how computational approaches can support the understanding of certain aspects regarding infectious diseases. On the one hand, it will focus on computationally modelling the spatio-temporal spread of COVID-19 based on either ordinary differential equations or integro-differential equations coupled to mobility networks. It will demonstrate these approaches for the example of the first two waves of infections in Germany. On the other hand, it will examine how computational fluid dynamics simulations of particle-laden flow in the human lung can help assessing and understanding the risk of severe infections across different age groups and different levels of cardiovascular activities.

16:45: [ModellingMaterialsWedPM211] OS Plenary
Celebrating the centenary of Griffith's theory
Nicola Pugno¹ ; ¹University of Trento, Trento, Italy;
Paper Id: 347 [Abstract]

In 1921 Griffith published his seminal paper, basically describing the theory of Linear Elastic Fracture Mechanics. Today, 100 years later, this theory shows new generalizations and implications that we will discuss in this Keynote. Understanding fracture mechanics in several disciplines, from nano- to earthquake- engineering including medicine (e.g. bone fracture), is indeed vital and is currently limiting our technologies and lives.

17:10: [ModellingMaterialsWedPM212] OL Plenary
Designing high performance solid polymer electrolyte materials for energy storage
Spiros H. Anastasiadis¹ ; ¹Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, Heraklion Crete, Greece;
Paper Id: 345 [Abstract]

The development of materials with enhanced mechanical properties and ionic conductivity constitutes a major challenge in the area of solid polymer electrolytes (SPEs) for lithium batteries. We utilize high functionality star polymers as nanostructured additives to liquid electrolytes for the development of SPEs that simultaneously exhibit high modulus and ionic conductivity. We discuss two different cases of multiarm stars used. When high functionality PMMA stars are dispersed in low molecular weight PEO, the SPEs exhibit two orders of magnitude higher conductivity and one order of magnitude higher mechanical modulus compared to the linear PMMA analogues due to the formation of a highly interconnected network of pure liquid electrolyte that leads to high conductivity. When mikto-arm star copolymers are introduced (with PS and PEO arms), SPEs are obtained with high modulus and high ionic conductivity (close to those for practical use) due to their self-assembled morphology of highly interconnected structures formed within the PEO host. The intramolecular nanostructuring of the mikto-arm star particles and their self-assembly within a homopolymer matrix are studied by molecular dynamics simulations as well. The functionality and the arm lengths lead to an intramolecular nanostructure of the stars, which influences the overall morphology. These miktoarm stars form percolated interconnected assemblies within the PEO host as opposed to simple cylindrical micelles formed when linear diblock copolymers of equivalent characteristics are introduced into the same host. * In collaboration with E. Glynos, P. Petropoulou, G. Nikolakakou, D. Chatzogiannakis, L. Papoutsakis, E. Mygiakis, A. D. Nega, G. Sakellariou, W. Pan, E. P. Giannelis, P. Bačová and V. Harmandaris # Acknowledgements: This research has been co-financed by EU and Greek national funds (Action RESEARCH – CREATE - INNOVATE).

SESSION: SolidStateChemistryWedPM3-R6	Alario-Franco international Symposium (2nd Intl Symp on Solid State Chemistry for Applications & Sustainable Development)
Wed. 30 Nov. 2022 / Room: Andaman 1
Session Chairs: TBA Session Monitor: TBA

17:50: [SolidStateChemistryWedPM313] OS Keynote
Structural Dynamics and Growth Mechanism of Covalent Organic Frameworks
Dan Zhao¹ ; ¹National University of Singapore, Singapore, Singapore;
Paper Id: 469 [Abstract]

Covalent organic frameworks (COFs) are an exciting family of functional porous materials. They feature uniform yet tunable porosity, rich chemical composition, and potentially high stability suitable for various applications. However, their structural dynamics are less explored than other porous materials, and their growth mechanism remains unclear. In this talk, I will introduce our group's recent progress in studying the structural dynamics and growth mechanism of several COFs. The results provide new approaches to design, synthesis, and applications of new functional COF materials and devices.

References:
[1] Kang, C. J.; Zhang, Z. Q.; Wee, V.; Usadi, A. K.; Calabro, D. C.; Baugh, L. S.; Wang, S.; Wang, Y. X.; Zhao, D. J. Am. Chem. Soc. 2020, 142, 12995.
[2] Kang, C. J.; Zhang, Z. Q.; Usadi, A. K.; Calabro, D. C.; Baugh, L. S.; Yu, K. X.; Wang, Y. X.; Zhao, D. J. Am. Chem. Soc. 2022, 144, 3192.
[3] Kang, C. J.; Yang, K. W.; Zhang, Z. Q.; Usadi, A. K.; Calabro, D. C.; Baugh, L. S.; Wang, Y. X.; Jiang, J. W.; Zou, X. D.; Huang, Z. H.; Zhao, D. Nat. Commun. 2022, 13, 1370.

SESSION: CorrosionMonAM-R7	Macdonald International Symposium (Intl Sympos. on Corrosion for Sustainable Development)
Mon. 28 Nov. 2022 / Room: Andaman 2
Session Chairs: Raman Singh; Session Monitor: TBA

11:30: [CorrosionMonAM01] OS Plenary
Determinism in Science and Engineering
Digby Macdonald¹ ; ¹University of California at Berkeley, Berkeley, United States;
Paper Id: 328 [Abstract]

The human activity that we know as “science” is based upon two broad philosophies; empiricism and determinism. Empiricism is the philosophy that everything that we can ever know we must have experienced, whereas determinism posits that the future can be predicted form the past upon the basis of the natural laws, which are condensations of all previous scientific experience. Viewed in this light, “science” is clearly the process of conversion from empiricism to determinism. Thus, observations (experiments) are made empirically and the results eventually lead to the formulation of new “natural” laws that then are used to constrain deterministic prediction to what is “physically real”. The impediment to this process is “complexity”, which is measured by the number of degrees of freedom in a system. Complexity can be likened to a fog that limits the field of view and obscures physico-chemical detail. The advancement of science occurs via the lifting of that fog. Thus, complexity is overcome by using more discerning tools and sensors. Perhaps the greatest tool in lifting the shroud of complexity has been the development of the high-speed, digital computers that are now capable of performing billions of individual calculations per second. Computers have been responsible for the creation of more scientific knowledge over the past several decades than had been created in all preceding human history. Consider the problem of describing the behavior of a cluster of atoms, which in physics is commonly referred to as a “many bodied problem”. The Hamiltonian, which describes the motion of each atom in the system, for a system of 100 atoms was an insurmountable challenge just a few decades ago; now, using supercomputers, clusters of tens of thousands of atoms can be accurately described. Another useful concept in combatting the debilitating effect of complexity is the average property approximation. Consider the problem of describing the propagation of a crack in a piece of iron. For convenience, let us assume that the mass of the metal is 55.5 g. This piece of metal contains 6.023x1023 atoms and formulation of the Hamiltonian to describe the motion of all atoms in the system, including those atoms at the tip of the crack that are responsible for crack advance, is clearly an impossible task, even with today’s most powerful super computers. However, crack advance is due only to the motion of a relatively few atoms in the vicinity of the crack tip. The remainder of the piece of iron, whose atoms are not involved in the crack advance process, may be assigned “average” properties, thereby greatly decreasing the complexity of the system. It is this approximation that enables deterministic description of physico-chemical phenomena in practical systems (e.g., crack propagation in nuclear power plant coolant piping). An example of the deterministic prediction of damage due to stress corrosion cracking (SCC) in reactor piping is shown in Figure 1, in which the depth of a crack in Type 304 stainless steel in the core shroud of a Boiling Water (Nuclear) Reactor is displayed as a function of various operating protocols as might be chosen by the reactor operator. Thus, “normal water chemistry” is the standard operating protocol for a BWR in which no attempt is made to modify the redox properties of the coolant (water at 288 oC) so as to reduce the driving force of the crack, which is the corrosion potential of the steel. Under this protocol the crack grows by about 2.2 cm over the operating period of ten years. The addition of hydrogen to the coolant water in the Hydrogen Water Chemistry (HWC) operating protocol that results in a reduction in the driving force for crack propagation and hence in the crack propagation rate, was originally developed in Sweden as a means of combatting SCC in the coolant circuits of BWRs. As seen, if HWC is implemented at the start of operation, the increase in crack length is reduced to 0.6 cm, which is substantial with significant financial implications for the operator and consumer alike. On the other hand, if HWC is implemented after five years, the crack is predicted to grow by 1.9 cm, which is only moderately better than if HWC had never been implemented at all. The reader will note that this “law of decreasing returns” situation is due to the shape of the crack length vs time correlation, corresponding to a decrease in the crack growth rate as the crack grows. This important feature was predicted by deterministic modeling and has since been verified experimentally. The reader will also note that the crack length vs time curves are not smooth. The discontinuities are not due to calculational error but reflect various outages of the reactor, including refueling outages. From the above, the reactor operator might conclude that, if HWC is to be implemented, then it should be put into effect as soon as possible, if the maximum benefit is to be realized. This example illustrates the benefits of deterministically modeling corrosion phenomena in “real world” scenarios.

11:55: [CorrosionMonAM02] OS Plenary
Graphene: An Ideal Coating for Durable Corrosion Resistance
Raman Singh¹ ; ¹Monash University, Monash University, Australia;
Paper Id: 326 [Abstract]

Corrosion and its mitigation costs dearly (any developed economy loses 3-4% of GDP due to corrosion, which translates to ~$250b to annual loss USA). In spite of traditional approaches of corrosion mitigation (e.g., use of corrosion resistance alloys such as stainless steels and coatings), loss of infrastructure due to corrosion continues to be a vexing problem. So it is technologically as well as commercially attractive to explore disruptive approaches for durable corrosion resistance. Graphene has triggered unprecedented research excitement for its exceptional characteristics. The most relevant properties of graphene as corrosion resistance barrier are its remarkable chemical inertness and impermeability and toughness, i.e., the requirements of an ideal surface barrier coating for corrosion resistance. However, the extent of corrosion resistance has been found to vary considerably in different studies. The author’s group has demonstrated an ultra-thin graphene coating to improve corrosion resistance of copper by two orders of magnitude in an aggressive chloride solution (similar to seawater). In contrast, other reports suggest the graphene coating to actually enhance corrosion rate of copper, particularly during extended exposures. Authors group has investigated the reasons for such contrast in corrosion resistance due to graphene coating as reported by different researchers. On the basis of the findings, author’s group has succeeded in demonstration of durable corrosion resistance as result of development of suitable graphene coating. The presentation will also assess the challenges in developing corrosion resistant graphene coating on most common engineering alloys, such as mild steel, and presents results demonstrating circumvention of these challenges.

12:20: [CorrosionMonAM03] OS Plenary
Corrosion Sensitivity of Alloy 600 to exposure to KOH versus LiOH in Pressurized Water Reactor Water Chemistry
Djamel Kaoumi¹ ; Fu-yun Tsai¹ ; ¹North Carolina State University, Raleigh, United States;
Paper Id: 395 [Abstract]

Lithium hydroxide (LiOH) is added to the water coolant in Pressurized Water Nuclear Reactor (PWR) to control its pH. However, the demand and the cost of Lithium-7 has substantially increased since 2015. Thus, potassium hydroxide (KOH) has been proposed as a candidate to replace LiOH for the same purposes [1] since it is economically favorable and also has been used in Russian pressurized water reactors for more than 40 years. Nevertheless, the corrosion behavior of Ni-based Alloy 600 (an alloy used for structural components in US PWRs) in KOH water chemistry is not really known; in fact no studies were found in the literature for the corrosion behavior of Alloy 600 corroded in KOH versus LiOH solutions. Therefore, the question of its corrosion sensitivity to exposure of KOH (at various concentrations) must be answered before KOH can be used in PWRs safely. It is the focus of this work. For that matter, Alloy 600 coupons were corroded in both relatively low and high (i.e. crevice-like) KOH concentrated water chemistry. Corrosion experiments were conducted in a static autoclave in simulated PWR primary water condition (325 ℃, 2200 psi, 30 cc H2/kg of H2O at STP) for 7 days to 30 days. Transmission Electron Microscopy (TEM) of cross-sectional samples was used to characterize the oxide formation through diffraction analysis. Secondary Ion Mass Spectrometry (SIMS) was used to see the ingress of K+ in the oxide films and metal matrix for different KOH concentration. The same experiments were done with LiOH. A discussion was conducted to substantiate the effects of KOH concentration in terms of corrosion of Alloy 600 compared to LiOH exposure.

References:
[1] Fruzzetti, K., Potassium hydoxide for PWR Primary Coolant pH control: Qualification Program. 2018(Electric Power Research Insitute): p. 15.

12:45: [CorrosionMonAM04] OS
Finite Element Analysis for Modelling Microbial and Atmospheric Thin Film Corrosion
Mohsen Saeedikhani¹ ; Daniel John Blackwood² ; ¹, Melbourne, Australia; ²National University of Singapore, Singapore, Singapore;
Paper Id: 186 [Abstract]

Thin-film corrosion is a severe issue in almost every sector. Thus, corrosion simulation under thin electrolyte films has always been of high interest as experimental studies are often challenging. For microbial corrosion, the existence of a biofilm on the metal surface impacts corrosive species' production and transportation, which is yet understood poorly. Therefore, the present corrosion models are risk-based and meant for ranking potential threats to the industrial assets, rather than trying to quantify those threats. Thus far, especially for atmospheric corrosion, progress has been made to model the effect of several essential factors on thin-film corrosion rates. Some of these parameters are electrolyte thickness, electrolyte composition, chemical reactions in the electrolyte, electrode size and change in electrode size, environmental parameters, and corrosion product deposition. However, these parameters are mainly drawn from different studies and have not been modelled concurrently in a single simulation study, making the thin film corrosion model far from being complete yet. Our research aims to resolve the problems mentioned above by employing finite element analysis using the corrosion module of COMSOL Multiphysics software. We have developed a multi-species multi-reaction moving boundary (MSMRMB) model, which not only provides flexibility for modelling altering corrosive environments but can quantify the corrosion rate. Quantification of corrosion rate will enable the industries to apply fitness for service (FFS) to the corroded pressure vessels based on the maximum pit size, operating pressure, lifetime, etc. We are aware that there is a long way to achieve a complete model, but our developed MSMRMB model is promising for this journey.

References:
[1] M. Saeedikhani and DJ. Blackwood, Corros. Mater. Degrad. 2020, 1(2), 273-281\n[2] M. Saeedikhani et al. J. Electrochem. Soc. 2020, 167, 041503\n[3] M. Saeedikhani et al. Corros. Sci. 2020, 163, 108296

SESSION: CorrosionMonPM1-R7	Macdonald International Symposium (Intl Sympos. on Corrosion for Sustainable Development)
Mon. 28 Nov. 2022 / Room: Andaman 2
Session Chairs: TBA Session Monitor: TBA

14:00: [CorrosionMonPM105] OS
Redefining the Electrochemical Kinetics of Redox Reactions on Passive Surfaces
Digby Macdonald¹ ; ¹University of California at Berkeley, Berkeley, United States;
Paper Id: 381 [Abstract]

The mechanisms for Redox reactions (R O + ne-) occurring on metal substrates generally assume a bare metal surface but bare metal surfaces only exist on the platinum group metals and then only at sufficiently negative potentials (e.g., for Pt < -0.15 VSHE) that a barrier oxide layer cannot form, even as a metastable phase. At higher potentials, the surfaces are invariably covered with a point-defective, barrier oxide layer (bl) upon which may exist a generally non-point defective, precipitated outer layer [e.g., Pt/PtO/Pt(OH)2. For Pt, the barrier layer is found to be a n-type semi-conductor having the general formula Pt1+xO1-y, where positive values of x, y < 0.1 indicate the presence of metal interstitials (〖Pt〗_i^(2+)) and oxygen vacancies (V_O^(∙∙)), both of which are electron donors. No hint of p-type behavior was observed, demonstrating the metal vacancy (V_Pt^2') is a minority species. The surface vacancies have been postulated to act as reaction sites at the barrier layer/solution interface and the surface oxygen vacancy has been postulated as providing the adsorption sites for the oxygen electrode reaction (OER) on passive titanium. This invariably links the reaction mechanism of the redox reaction to the defect structure of the substate bl oxide. However, the bl also represents a barrier to electron transfer. For sufficiently thin bl oxides (< 3 nm), charge carrier transfer between the metal and the redox reaction site that occurs at the bl/solution interface is postulated to occur by direct (resonant) quantum-mechanical tunneling but for thicker bls (> 5 nm), the oxygen vacancy, which is present in all oxide films that grow into the metal, acts as a quantum well having quantized energy levels. In these cases, tunneling between neighboring oxygen vacancies is indirect and because of the presence of a high electric field (commonly (1-3)x106 V/cm precludes occupied/empty energy levels between neighboring vacancies of the same energy noting that tunneling is an isoenergetic process. Accordingly, tunneling is envisioned to involve “virtual” states in which the tunneled electron temporarily reside as it loses energy to the lattice and relax to a quantized state in a neighboring vacancy that in turn is isoenergetic with the next virtual state. In essence, this is a “hopping” mechanism in which the hopping sites are alternating oxygen vacancies and the “virtual states”. Clearly, the probability of quantum-mechanically mediated hopping between an oxygen vacancy and the virtual state that is at the same location as the neighboring oxygen vacancy is a very sensitive function of the concentration of oxygen vacancies in the bl as indicated by the expression for the probability of transfer, Pr~exp⁡(-β ̂L), where β ̂ is the tunneling constant, and L is the tunneling distance. The theory of the electrochemical kinetics of redox reactions has been modified to accommodate reaction on passive surfaces and to involveme surface defects (primarily oxygen vacancies) in the reaction mechanism. This requires to use of the Point Defect Model (PDM) to calculate the concentration of the appropriate vacancy at the bl/s interface and to estimate the thickness of the bl as a function of voltage, which are then used to modify the Generalized Butler-Volver equation, to define the exchange current density in terms of the standard exchange current density, and to define the standard state as the hypothetical bare metal surface. The application of this revised theory for redox reactions on passive surfaces is illustrated by the electrochemistry of carbon steel in hydrogenated alkaline solutions.

14:25: [CorrosionMonPM106] OS
The Scientific Basis of Our Reactive Metals Based Civilization
Digby Macdonald¹ ; ¹University of California at Berkeley, Berkeley, United States;
Paper Id: 380 [Abstract]

Our civilization is based upon the reactive metals, such as aluminum, iron, nickel, chromium, titanium, and so forth. All these metals and their alloys react with oxygen and water with considerable negative changes in the Gibbs energy, indicating that the reactions are thermodynamically spontaneous and many of the reactions occur at considerable rates; some violently so (e.g., the burning of Al or Mg in air). In other cases, the reaction is muted, allowing the metals and their alloys to be used in fabricating machines that require close tolerances. The resulting corrosion exacts an enormous cost on society that has been estimated at about 3.5 % of the GDP for industrialized countries like the US. Given that the GDP of the US is about $21 trillion ($21x1012), the annual cost of corrosion is approximately $735 billion. On a worldwide basis, the cost is estimated to be $2.2 trillion. Corrosion is an electrochemical process comprising at least two partial reactions, one of which is the electrodissolution (destruction) of the metal or alloy substrate to produces electrons that are quantitatively consumed by a cathodic partial reaction, such as the reduction of oxygen or the evolution of hydrogen via the reduction of water. The rate of the electrodissolution reaction in the active state increases exponentially with the electrochemical potential, so that even modest changes in the potential can result in massive changes in the rate. Fortunately, once the potential exceeds a critical value, known as the Flade or passivation potential, the rate drops precipitously to values that are sufficiently low (< 1 µm/a) that the metals and their alloys may be used to fabricate machines that retain their precise dimensions over useful service lifetimes (40 – 100 a). This if known as the passive state in which the thermodynamically highly reactive metals attain kinetic stability because of the formation of a oxide film on the surface that is commonly no more than 1-3 nm thick and that separates the reactive substrate from the corrosive environment. In this presentation, I will review the scientific basis for the phenomenon of passivity within the framework of the Point Defect Model (PDM) and define precisely the condition that must be achieved for passivity to occur. Indeed, the occurrence of our metals-based civilization can be expressed as a simple inequality that has profound implications for life as we know it. I will also discuss how the PDM predicts the breakdown of passivity that is responsible for the $2.2 trillion annual cost of corrosion. These predictions will be illustrated with practical examples, such as the corrosion and failure of airframes, the failure of oil/gas pipelines, and the failure of nuclear reactor coolant piping.

14:50: [CorrosionMonPM107] OS
Volta Potential Evolution of Aluminium Alloys under Chloride-Contaminated Thin-Film Electrolyte
Yanhan Liew¹ ; Cem Örnek² ; Jinshan Pan³ ; Dominique Thierry⁴ ; Sudesh Wijesinghe⁵ ; Daniel John Blackwood¹ ; ¹National University of Singapore, Singapore, Singapore; ²Istanbul Technical University, Istanbul, Turkey; ³KTH Royal Institute of Technology, Stockholm, Sweden; ⁴French Corrosion Institute, Brest, France; ⁵Singapore Institute of Manufacturing Technology (SIMTech), Singapore, Singapore;
Paper Id: 192 [Abstract]

Corrosion is an issue that has led to widespread cost and even danger. Thus, it is of importance to investigate the nature of corrosion initiation and/or propagation mechanisms; one such way is via analysing the nobility and electrochemical changes of the metal microstructure through their Volta potential (Ψ), which is the potential difference between a point just outside the surface of the metal and a point infinitely far away from the surface [1]. The Ψ gives information about the surface electrons, and hence can be used as a gauge of a material’s tendency towards physicochemical reactions such as corrosion [2].
Using a recently developed Scanning Kelvin Probe Force Microscopy (SKPFM) setup that incorporates an ability to vary the relative humidity [3,4], the earliest stages of localised corrosion on aluminium alloys, such as AA5083, under chloride-contaminated thin-film electrolytes were investigated at ambient temperature over the humidity range 20%-85% RH. The in-situ time-lapse SKPFM investigation elucidated magnesium silicide particle regions in AA5083, which initially showed positive Volta potential (vs matrix), suffering from severe, sharp nobility loss due to the ongoing dissolution of magnesium and the formation of rod-like corrosion products [5]. The corrosion product growth, most likely a form of nesquehonite, was highly favoured when exposed to humidities >80% RH. Transient events that occurred during the corrosion were also captured by the in-situ time-lapse SKPFM method, further demonstrating that it is necessary to measure the Volta potential during corrosion to reflect the true relationship between the Volta potential and corrosion potential or breakdown potential of a material.
Furthermore, the phenomenon of nobility adoption is discussed, detailing instances when local sites adopted the nobility of their neighbouring region. Nobility adoption seemingly occurs at elevated humidity (>80% RH) and within close proximity of a particle with large Volta potential difference relative to the matrix. Different behaviours of nobility adoption were also seen in the analysis, when the aluminium alloys were exposed to thin-film electrolyte over extended period, suggesting that the localised corrosion mechanism evolves over time.

References:
[1] J.O. Bockris, A.K.N. Reddy, M. Gamboa-Aldeco, Modern Electrochemistry 2A, Kluwer Academic Publishers, Boston, 2002. doi:10.1007/b113922.\n[2] C. Örnek, C. Leygraf, J. Pan, On the Volta potential measured by SKPFM–fundamental and practical aspects with relevance to corrosion science, Corros. Eng. Sci. Technol. 54 (2019) 185–198. doi:10.1080/1478422X.2019.1583436.\n[3] C. Örnek, C. Leygraf, J. Pan, Real-Time Corrosion Monitoring of Aluminum Alloy Using Scanning Kelvin Probe Force Microscopy, J. Electrochem. Soc. 167 (2020) 081502. doi:10.1149/1945-7111/ab8826.\n[4] C. Örnek, D.L. Engelberg, SKPFM measured Volta potential correlated with strain localisation in microstructure to understand corrosion susceptibility of cold-rolled grade 2205 duplex stainless steel, Corros. Sci. 99 (2015) 164–171. doi:10.1016/j.corsci.2015.06.035.\n[5] Y. Liew, C. Örnek, J. Pan, D. Thierry, S. Wijesinghe, D.J. Blackwood, In-Situ Time-Lapse SKPFM Investigation of Sensitized AA5083 Aluminum Alloy to Understand Localized Corrosion, J. Electrochem. Soc. 167 (2020) 141502. doi:10.1149/1945-7111/abc30d.

15:15: [CorrosionMonPM108] OS Plenary
Thermodynamic and Corrosion Properties of Metallic Nanobjects and Application of Quantum Chemical Calculations in Management of Experiments in Lab Scale
Maros Halama¹ ; ¹Technical University of Kosice, Faculty of Materials, Metallurgy and Recycling, Corrosion Control Lab, Kosice, Slovakia;
Paper Id: 322 [Abstract]

Corrosion properties of Ag and Au nanoparticles in water-based environment were compared using electrochemical techniques hyphenated with quartz-crystal microbalance. In addition, quantum chemical calculations of Ag nanoparticles and Ag nanoparticles/ascorbic acid hybrid system were performed to find out how theoretical approach can contribute as support for laboratory experiments. An assessment of dissolution rate from measured corrosion parameters for both bare and inhibited nanoparticles was determined in Hank solution as simulated human body fluid. The dramatic change of redox behaviour for Ag nanoparticles was observed in the presence of antioxidant molecules of ascorbic acid (AsA). Inhibition effect in dissolution of Ag NPs initiated by AsA was theoretically proofed by performing quantum chemical calculations of redox properties of studied hybrid system. The quantum-chemical calculation has showed that the electrons are mainly transferred from AsA molecule to nanoparticle and the free radicals are suppressed. Combination of these techniques help to study unknown thermodynamics, corrosion of nanoobjects and finally assessment of the life-time of NPs applied in environment of interest. <b>What will audience learn from your presentation? </b> • The aim is to highlight problem related with opening “Pandora´s box” regarding reactivity of NPs and their interaction with environment due to the changes of redox properties by surface modification. • Prediction of life-time of metallic nanobjects in application environment by monitoring of corrosion phenomena.

SESSION: CorrosionMonPM2-R7	Macdonald International Symposium (Intl Sympos. on Corrosion for Sustainable Development)
Mon. 28 Nov. 2022 / Room: Andaman 2
Session Chairs: Harpreet Singh; Session Monitor: TBA

15:55: [CorrosionMonPM209] OS
The Anthropogenic Global Warming Hypothesis and the Causality Principle