POSTERS

SESSION:IronPoster	Afonso International Symposium on Advanced Sustainable Iron and Steel Making(6th Intl. Symp. on Advanced Sustainable Iron and Steel Making)
	Room: Foyer
Poster Session	4-7 Nov, 2018

[IronPoster1] The Addition of Steel Scrap in the Charge and its Impact on the Result Properties of Cast Iron
Peter. Futas ¹ ; Alena. Pribulova ² ; Jozef. Petrik ³ ; Marcela. Pokusova ⁴ ; Andrea. Junakova ⁵ ; ¹Slovak University of Technology, Bratislava, Slovakia; ²Technical University in Kosice, Faculty of Metallurgy, Kosice, Slovakia (Slovak Republic); ³Technical university of Kosice, Kosice, Slovakia (Slovak Republic); ⁴Slovak University of Technology in Bratislava, Bratislava, Slovenia; ⁵Magneti Marelli Slovakia, Kechnec, Slovakia (Slovak Republic);
Paper Id: 129 [Abstract]

Foundries in Slovakia use imported pig iron, sorelmetal, and steel scrap for production of cast iron. There are more than 100% of price differences in these components. Composition of raw materials can greatly influence the costs of castings. The quality of a cast iron, usually expessed by values of mechanical properties (Rm, HB, E0), is closely related to its chemical composition (content of C, Si, Mn, P, S), eventually other monitored elements such as alloying elements (Cr, Ni, Cu, ...), and in some cases, pollutants (Pb, Sn, As, Sb, ...). The chemical composition is simply determined by the degree of saturation (Sc) or by the carbon equivalent (CE). Other factors that impact the quality of cast iron are the metallurgical conditions of production (melting and treatment) of cast iron, and the solidification speed in mould. Beside ordinary quality evaluation of cast iron, i. e. determination of Rm, HB, eventually chemical composition, or other required properties, in practice the quality criteria of grey iron are used. This is a comparison of the mechanical properties of produced grey iron with optimal values determined for the same degree of saturation (Sc). An important component of raw material is return material. Influence of raw material on cast iron properties with lamellar graphite (EN-GJL250) made from different percentages of charge material was examined in operating conditions of two Slovak foundries.

[IronPoster2] Impact of Raw Materials on Production and Refining of Silicon
Vishu. Dosaj ¹ ; ¹Dow Corning Corporation, Midland, United States;
Paper Id: 400 [Abstract]

In the production of silicon, quartz is reduced with carbon in an arc furnace. During the selection of a plant site, key considerations include availability of high quality quartz, source of carbon such as charcoal and or low ash high reactivity bituminous coal, and wood chips. Quartz quality requires adequate thermal strength and impurities namely alumina, iron oxide and titanium. High alumina levels in quartz not only impact the silicon production but also require creative refining. The supplies of low ash coal suitable for silicon production are limited. Such coals are available in United States and to some extent in Europe. Charcoal is widely used in South America but not so in Europe and USA. The furnace operating strategy depends on the raw material type, and size of the furnace. The operating strategy with coal and charcoal based raw material mix is discussed and recommendations are made for operating variables namely, furnace operating resistance and electrode current to complement the raw material mix. The size of raw materials and the fines content also has a significant impact on process efficiency. The furnace size also impacts process efficiency requiring attention to details with increasing furnace size. Typically the furnace efficiency drops as the furnace size exceeds 20 MW load. Silicon refining process is a function of tap temperature, tap chemistry (with respect to Al and Ca), silicon flow rate, tap weight and the amount of slag from the tap hole. Taking into account the refining conditions, the refining strategy is discussed to increase in specification product and at the same time reduce scull losses and improve ladle life.

SESSION:ElectrochemistryPoster	Amatore International Symposium on Electrochemistry for Sustainable Development
	Room: Foyer
Poster Session	4-7 Nov, 2018

[ElectrochemistryPoster1] KISSA, a Software for Fast and Accurate Simulation of Complex Electrochemical Problems
Irina. Svir ¹ ; Alexander. Oleinick ² ; Oleksiy. Klymenko ³ ; Christian. Amatore ⁴ ; ¹Ecole Normale Superieure, Department Chemistry, PARIS, France; ²CNRS-ENS-SU UMR 8640 PASTEUR, CNRS, Paris, France; ³University of Surrey, Farnham, United Kingdom; ⁴CNRS & PSL, French Academy of Sciences, Paris, France;
Paper Id: 23 [Abstract]

KISSA, the software developed in our group, provides a general framework to analyze and rationalize 1D- and 2D-electrochemical problems of any complexity within a user-friendly environment. Results are obtained without any intervention of user into numerical part except for defining the sought reaction mechanism using classical chemical formulations and initial values of the initial concertation, expected and equilibrium rate constants, diffusion coefficients, etc. [1]. The accuracy of the numerical solution is guaranteed in KISSA through performing calculations using non-uniform time grids and adaptive space grids. The latter one was constructed on the basis of specific kinetic criteria (rather than on a gradient-based one as in other programs). This offers a built-in automatic high dynamic resolution at moving acute reaction fronts which are readily detected and tracked by the program. The efficiency of this strategy was proven by addressing such sophisticated problems as i) simulation of reaction mechanisms leading to the emission of electrochemiluminescence (ECL) [2, 3] and ii) solution of electrocatalytic problems involving the reactive dynamic adsorption steps [4, 5], etc.

[ElectrochemistryPoster2] Nanochannels Photoelectrochemical Biosensor
Wei-wei. Zhao ¹ ; ¹Nanjing University, Nanjing, China;
Paper Id: 70 [Abstract]

Nanochannels have brought new opportunities for biosensor development. Herein, we present the novel concept of a nanochannels photoelectrochemical (PEC) biosensor based on the integration of a unique Cu_xO-nanopyramid-islands (NPIs) photocathode, an anodic aluminum oxide (AAO) membrane, and alkaline phosphatase (ALP) catalytic chemistry. The Cu_xO-NPIs photocathode possesses good performance, and further assembly with AAO yields a designed architecture composed of vertically aligned, highly ordered nanoarrays on top of the Cu_xO-NPIs film. After biocatalytic precipitation (BCP) was stimulated within the channels, the biosensor was used for the successful detection of ALP activity. This study has not only provided a novel paradigm for an unconventional nanochannels PEC biosensor, which can be used for general bioanalytical purposes, but also indicated that the new concept of nanochannel-semiconductor heterostructures is a step toward innovative biomedical applications.

[ElectrochemistryPoster3] Medicinal Electrosynthesis: A Green, Scalable, Economical and Safe Way to Activate Organic and Organometallic Molecules
Kevin. Lam ¹ ; ¹The University of Greenwich, Chatham Maritime, United Kingdom;
Paper Id: 77 [Abstract]

Electrosynthesis is a powerful tool in organic chemistry that circumvents the use of expensive and toxic reagents for the generation of reactive intermediates. During electrosynthesis, molecules are activated under mild and green conditions directly at the surface of an electrode. [1] Even though a plethora of transformations have been developed and many of them were successfully used in several industrial processes [2-4], the potential of preparative organic electrochemistry remains largely underestimated. However, the growing impetus to look for greener and cheaper alternatives to classic synthetic methodologies prompted us to further investigate new electrochemical reactions. We have recently developed two new electrochemical methodologies that allow the generation of organic and organometallic radicals under mild, green, economical, and safe conditions. The first one allowed us to prepare a new class of organometallic drugs based on the cymantrene motif (CpMn(CO)₃). Anodic oxidation of the metallic core, under weakly coordinating conditions, allowed us to selectively replace one of carbonyl ligand (CO) by another ligand (L). This helped us to finely tune the physical properties of the drug, such as its redox potential or its lipophilicity. The final compounds have revealed to inhibit autophagy, and to have both very promising anticancer and antimalarial properties. [5-7] In the same vein, we have recently developed a new electrosynthetic methodology to generate aroyloxy and benzamidyl radicals under mild conditions. The electrochemical reaction was even successfully scaled up to a 2g scale. [8] We are planning on using those radicals in the synthesis of other biologically relevant products such as phthalides, [9, 10] dihydroisocoumarins, [11, 12] isoindolinones, [13] and dihydroisoquinolones. [14] Those compounds are known to be important classes of bioactive compounds that are very often found in natural products. Several synthetic strategies have been developed for the synthesis of those scaffolds, but still rely on the use of expensive and hazardous chemicals which would prevent any industrial scale up. [15-17]

[ElectrochemistryPoster4] Synthesis and Characterization of Nanostructured Molecularly Imprinted Sol-gel as Selective Electrochemical Sensor for Detection of 4-Nitrophenol
Marilia. Goulart ¹ ; Walker. Cordeiro ¹ ; Sarah. Cavalcante ¹ ; Jessica. Silva ¹ ; Monik. Santos ¹ ; Wilney. Santos ² ; Phabyanno. Lima ² ; ¹Biotechnology Institute, Federal University of Alagoas, Maceio, Brazil; ²Instituto Federal de Ciência e Tecnologia de Alagoas (IFAL), Maceio, Brazil;
Paper Id: 141 [Abstract]

4-Nitrophenol (4-NP) is a highly hazardous and toxic phenol, which can cause significant damages to the health and to the environment [1,2]. Thus, the interest in its determination in environmental samples has led to the development of several quantification methods. The present work describes the development of a highly sensitive and selective molecularly imprinted electrochemical sensor (MIS) for its detection. The MIS film was prepared in three steps. The first used vinyltrimethoxysilane-modified MWCNTs (MWCNTs-VTMS), a procedure adapted from Correa et al.[3]. Thereafter, VTMS and AIBN were added to the previous mixture (MWCNT- VTMS and DMF). The flask was placed in a thermal oil bath at 70°C, under stirring, for 48 hours. At the second step, for the preparation of the GCE modified with MWCNTs-VTMS, the resulting suspension was dropped onto the GCE surface, and allowed to dry, at room temperature. At last, the imprinted sensor was prepared using the acid catalyzed hydrolysis and condensation of tetraethoxysilane, phenyltriethoxysilane and 3-aminopropyltrimethoxysilane, in the presence of 4-NP as the template molecule and in its absence. For the characterization of the silanes' films, SEM, TGA and FTIR were used. The electrochemical performance of the imprinted siloxane film was characterized by cyclic voltammetry and differential pulse voltammetry. This sensor showed its best performance in 0.1 mol L-1 phosphate buffer solution, at pH 7.0. After optimizing the operational conditions, this sensor provided a linear response range for 4-NP from 0.1 up to 100 mol L-1 and good parameters as LOD (0.03 mol L-1), and sensitivity (1.4 x 10-2 A mol L-1). Furthermore, the MIS/4-NP sensor exhibited good stability with adequate reproducibility and accuracy.

[ElectrochemistryPoster5] Nanoscale Electrochemical Imaging for Functional Materials
Tomokazu. Matsue ¹ ; ¹Tohoku University, Sendai, Japan;
Paper Id: 142 [Abstract]

Electrochemical imaging [1] is an emerging technology used to understand localized functions of various materials, because the unique functions of biomaterials, energy materials, and other materials are in many cases based on electrochemical phenomena. Electrochemical imaging is categorized into two basic ways: imaging using micro/nanoelectrode arrays, and scanning micro/nanoelectrochemical probes. In this presentation, I will show the basic outlines and recent progress of nanoscale electrochemical imaging using scanning probes. Although a scanning electrochemical microscope (SECM) has become popular, the distance control between the probe and sample has still been a big challenge to improve temporal resolution and sensitivity. We adopted voltage-switching mechanisms to attain high resolution bioimaging in SECM systems and applied to simultaneous imaging of topography and electrochemical responses live cells [2]. We also incorporated an ion-conductance feedback for nanoelectrochemical imaging and applied to rapid, non-invasive bioimaging of live cells [3]. This system affords information on dynamic changes of nanostructures of cell membrane surfaces. Capacitive currents can also be used for feedback signal to control the distance. We incorporated this feedback mechanism to develop a nano-scanning electrochemical cell microscope (SECCM) and applied to characterization of localized battery materials with resolution of less than 100 nmm [4]. The technique measures electrode topography and different electrochemical properties simultaneously, and the information can be combined with complementary microscopic techniques to reveal new perspectives on structure and activity. The nanoscale SECCM (NanoSECCM) exhibit highly spatially heterogeneous electrochemistry at the nanoscale, both within secondary particles and at individual primary nanoparticles, which is highly dependent on the local structure and composition. We also applied NanoSECCM to characterize functional 2D materials.

[ElectrochemistryPoster6] The Nature of Current Peaks Observed in Electrochemical Systems Involving Metal Complexes: Properties and Diagnostics
Arvydas. Survila ¹ ; ¹Center for Physical Sciences and Technology, Vilnius, Lithuania;
Paper Id: 197 [Abstract]

Investigations of electrochemical processes involving metal complexes show [1] that, simultaneously with the formation of metal coatings, other side processes can occur on the electrode surface, such as hydrogen evolution or the reduction of semiconductor compounds. Under linear potential sweep (LPS) conditions, all of them can be manifested as current peaks. Various factors can be used for their diagnostics: pH, potential sweep rate, electrochemical quartz crystal microgravimetry (EQCM) data, duration of the system pre-exposure under open-circuit conditions, optical excitation by quanta of different energies, etc. A comparison of the LPS voltammetry and EQCM data can be carried out using time-depending charges q(t) or current densities i(t). The procedures used include integrating the experimental voltammograms or differentiating the EQCM transients. The latter quantities coincide with voltammetric i(t) in the case of metal deposition, show no peak at hydrogen evolution and pass the minumum when surface oxides are reduced. Close inspection of the properties of the experimental peaks shows that these criteria can be successfully used for diagnostics of peak currents based on the indications presented.

[ElectrochemistryPoster7] Transformation of Complex LPS Voltammograms into Normalized Tafel Plots as Applied to Ligand-deficient Systems
Arvydas. Survila ¹ ; ¹Center for Physical Sciences and Technology, Vilnius, Lithuania;
Paper Id: 198 [Abstract]

Voltammograms of the reduction of metal complexes obtained for ligand-deficient systems have certain features [1]. Steady-state curves contain pre-waves and the splitting of current maximum into two peaks is observed under linear potential sweep (LPS) conditions. Despite of the complex shape, their transformation into linear normalized Tafel plots (NTP) is possible. For this, the following procedures should be followed. Since the kinetic equations contain the surface concentration of the electrochemically active complex, the current density must be normalized with respect to this value. The latter can be determined using the model of mass transfer of chemically interacting particles [1]. According to it, the total concentrations of the metal, ligand, or proton donors and acceptors obey laws of diffusion; hence, these quantities can be obtained using common procedures. Further, if the system is sufficiently labile, individual surface concentrations are available from the material balance equations with the analytical expressions of stability constants. Analysis of the LPS voltammograms obtained for the Cu|Cu(II), glycine system is presented. NTPs, close to linear, were obtained for the charge transfer process Cu(II)L⁺ + e = Cu(I)L. The following kinetic parameters were obtained at pH 4: the cathodic charge transfer coefficient α_c = 0.44 and and the exchange current density <i>i</i>₀₁ = 0.14 mA cm^-2. The method applied can be extended to other electrochemical systems where charge transfer is coupled with chemical steps. A similar analysis of hydrogen evolution on the copper electrode in acetate solutions has been carried out, yielding α_c = 0.76 and <i>i</i>₀ = 0.3 nA cm^-2. Acetic acid acts as a labile proton donor in this case.

[ElectrochemistryPoster8] Unique Carbon Electrodes for Microelectronics and Energy Storage
Richard. Mccreery ¹ ; Anna. Farquhar ¹ ; Mustafa. Supur ¹ ; ¹University of Alberta, Edmonton, Canada;
Paper Id: 223 [Abstract]

Molecules may be considered as electronic systems, with electrons rapidly moving through molecular orbitals and also by long distances in biological metabolism and photosynthesis. The prospect of incorporating molecules into microelectronic circuits based on silicon and metallic conductors has great potential for enhancing consumer electronics, providing solar energy conversion and permitting new functions not possible with silicon. "All-carbon" molecular junctions consist of organic molecules covalently bonded to conducting carbon contacts, which are thermally stable and compatible with practical applications. [1-2] Strong electronic coupling between aromatic molecules and carbon contacts via conjugated bonds results in transport dominated by molecular structure of the interior of the device rather than that of the contacts. Conductance of the molecular junction is strongly dependent on the presence of dihedral angles and interruption of conjugation within the molecular layer, opening the possibility of "rational design" of electronic behavior. An application in a consumer device for electronic music will be described, [3] as will its potentially broader applications in photonics, [4-5] memory, [6-7] and on-chip energy storage. [6] In addition to microelectronic applications, graphene-modified carbon electrodes have unusually high capacitance with both Faradaic and double layer contributions, and may be valuable in supercapacitors used for large scale energy storage. [8]

[ElectrochemistryPoster9] Electrocatalysis in PEM-FC Reactions: The Influence of the Architectural Disposition of Elements on Surface Adsorption Site Electronic Condition
Francielle. Bortoloti ¹ ; Maria Laura. Dellacosta ¹ ; Nicolas. Ishiki ¹ ; Beatriz. Keller ¹ ; Kleper. Rocha ¹ ; Antonio. Angelo ¹ ; ¹UNESP, Bauru, Brazil;
Paper Id: 224 [Abstract]

Any approach of an energy planning program based on the sustainable development concept should consider the use of Proton Exchange Membrane Fuel Cells (PEM-FC). These electrochemical devices can be easily inserted in an Energy-production and distribution net because of their low pollution, portability, high efficiency, and wide range application characteristics [1-2]. However, PEM-FC still demands some improvements to decrease the production and operational costs and increase the efficiency for some fuels oxidation reactions. In this perspective, the development of new and more efficient electrocatalysts for fuel oxidation reactions has been considered a priority worldwide. Nevertheless, the development or improvement of electrocatalysts is limited by the lack of appropriated knowledge on materials activity. In this work, the authors present the study performed on the influence of the architectural disposition of metal elements in the geometric structure of electrode materials, and the resulting performance towards the anode reaction. We synthesized and fully characterized materials in the systems Pt-Sn and Pt-Ni— structured as ordinary alloy, ordered intermetallic, and core-shell nanoparticles— in the same metal proportion 1:1 (Pt:M), and evaluated them as anode for the eletrooxidation of hydrogen, methanol, ethanol, ethyleneglycol and glycerol fuels. It was concluded that, despite the same chemical composition and particle size, the electronic density of the Pt surface adsorption site is deeply affected by the energy of interaction with the foreign metal (Sn or Ni). Therefore, the structure as the nanoparticle crystallizes will influence the adsorptive characteristic of the anode material, thus determining the performance as efficient electrode material for the electrooxidation of a given fuel.

[ElectrochemistryPoster10] Synthesis of Electrically Active Switched Ion Exchange Electrode for the Removal of Cesium Ion
Ahmed. Tawfic ¹ ; Mohy. Sabry ¹ ; Mohamed. Yassin ¹ ; ¹Military Technical College, Cairo, Egypt;
Paper Id: 231 [Abstract]

Radioactive waste contains many important elements like cesium ion. Generally, the separation of these elements is expensive and exotic. However, electrically switched ion exchange (ESIX) process is an attractive method for separation, which involves an ion exchange film deposited onto an electrode surface. In this study, a graphite electrode was used; nickel hexacyanocobaltate was introduced into the graphite electrode to improve the capacity for cesium ion separation. X-ray tomography was used to characterize nickel hexacyanocobaltate inside the electrode, and FTIR was used to characterize the prepared material. Cyclic voltammogram was used to measure the ion exchange performance. This technique was found to enhance both the removal capacity of cesium and stability of the ion exchange process compared to other techniques.

[ElectrochemistryPoster11] Estimation of the Lability of Electrochemical Systems Involving Processes with Chemical Stages
Arvydas. Survila ¹ ; Stasė. Kanapeckaitė ¹ ; Kęstutis. Mažeika ¹ ; ¹Center for Physical Sciences and Technology, Vilnius, Lithuania;
Paper Id: 234 [Abstract]

Lability of electrochemical systems is one of the substantial characteristics for determining kinetics of the processes involving chemical steps. <br />A sufficiently rigorous quantitative estimate of this parameter is possible only for the preceding reactions of the first or pseudo-first order [1]. For more complex systems, such as solutions of metal complexes, there are no analytical expressions. To get around this obstacle, we analyzed the concentration profiles simulated using differential diffusion equations supplemented by the corresponding kinetic terms [2].<br />In the case of high lability, interrelation between concentrations of species is specified by stability constants of metal complexes. The certain deviations from equilibrium distribution are observed in the diffusion layer for less labile systems. In default of the electrically active complex, the reaction layer concept can be applied and used in the electroanalysis.<br />LPS voltammetric data obtained for hydrogen evolution on copper electrode in weakly acidic glycine solutions were used as basis for estimation of electrochemical lability of different glycine species. The dependence of current peaks on both solution pH and glycine concentration and the convolution of voltammograms show that only some protonated glycine species can act as labile proton donors in hydrogen evolution, since protons attached to different groups in glycine molecule exhibit different mobility. In contrast to protonated amino group, the release of proton from carboxylic group proceeds significantly faster. Consequently, protonated ⁺H₃N-CH₂-COOH species can be treated as labile proton donors, whereas zwitterions ⁺H₃N-CH₂-COO^- do not fall into this category.

[ElectrochemistryPoster12] Photocatalytic Degradation of Methyl Orange Dye in a Tubular Flow Reactor Using Nanotubular Oxides Grown on Ti0.5W Alloy
Joyce. Carvalho ¹ ; Milene. Codolo ² ; Christiane. Rodrigues ² ; ¹Federal University of Sao Paulo, Diadema, Brazil; ²Federal University of São Paulo, Diadema, Brazil;
Paper Id: 251 [Abstract]

Methyl Orange is a dye with strong color, used in dyeing and textile printing. When present in effluents, it may contaminate rivers, lakes, and aquifers, causing health risks to living organisms [1]. Textile industries produce large volumes of effluents with high concentrations of dyes, which can become recalcitrant products that are difficult to remove by conventional processes [2]. As an alternative, new technologies have emerged, including heterogeneous phototacalysis, whose principle is based on the irradiation of a semiconductor to the generation of electrons/holes where the reactions of reduction/oxidation occur, favoring the production of hydroxyl radicals (strong oxidizing agent) [3]. The main objective of this work is to degrade the methyl orange dye by photocatalytic processes using a tubular flow reactor containing as photocatalyst nanostructured oxides grown on Ti0.5W alloy. There are few publications in the area of design and construction of flow reactors using nanotube oxides as photoanode [4]. The reactor operated in batch mode with recirculation. The Ti0.5W alloy was prepared in an arc-voltaic furnace, roll processed, and anodized at 120 V for 30 minutes in order to obtain a layer of nanostructured oxide (nanotube form) on alloy surface. As this oxide layer is amorphous, the nanostructures were submitted to heat treatment at 450 °C to obtain a crystalline structure, preferably anatase. The photocatalyst was inserted into the reactor and irradiated by a UV lamp (125 W). The results showed that the processes of photocatalysis and photoelectrocatalysis significantly reduced the absorbance in the visible UV spectrum and the total organic carbon values. However, photoelectrocatalysis presented better performance compared to photocatalysis. In addition, the experiments were carried out at different flow rates, and showed that the increase in flow rate contributes to an increase in the dye removal efficiency.

[ElectrochemistryPoster13] Density Functional Theory Studies of Cu and Sn Surfaces relevant for Electroplating
Shannon K.. Stauffer ¹ ; Linas. Vilčiauskas ¹ ; Arvydas. Survila ¹ ; ¹Center for Physical Sciences and Technology, Vilnius, Lithuania;
Paper Id: 262 [Abstract]

Electrocodeposition of various Cu and Sn alloys to obtain metallic coatings is a process with a wide range of practical applications, from microelectronics to corrosion protection [1]. Such coatings show good solderability, malleability, and superior corrosion resistance. In order to control the co-deposition process and obtain the desired characteristics of final coatings, various surface active additives are traditionally employed [2-3]. Polyether (PE) compounds such as polyethylene glycol (PEG) is one of the well-known electroplating additives used to control Cu deposition rate. A number of studies have discussed the effects and underlying mechanisms of PEG for Cu deposition [4], however the effects of PEG in the case of Sn and Cu/Sn alloys are not well understood. In this work, we use periodic density functional theory calculations of various Cu and Sn surfaces and their interactions with various model adsorbates, such as ethylene glycol, oligoethylene glycols of various chain lengths, and PEG. In addition, to significantly differentiate electronic structure of Cu and Sn surfaces, the results also show different adsorption of hydroxyl, ether, and polyether species on these surfaces, which might explain the different behaviors of Cu/Sn electroplating.

[ElectrochemistryPoster14] Aqueous CO₂ Reduction on Nanotubes TiO₂ Modified by Copper Porphyrins
Kallyni. Irikura ¹ ; Juliana. Ferreira De Brito ¹ ; Carolina. Machado Terzi ² ; Shirley. Nakagaki ² ; Maria Valnice. Boldrin Zanoni ¹ ; ¹Institute of Chemistry-Araraquara UNESP, Araraquara, Brazil; ²Federal University of Paraná UFPR, Curitiba, Brazil;
Paper Id: 320 [Abstract]

The photoconversion of CO₂ by artificial photosynthesis is an area of great interest [1]. In this context, there is a great search for new semiconductors able to generate charge carriers (e-/h+) when irradiated by sunlight. Thus, the present work investigated the surface modification of TiO₂ nanotubes electrodes (NtTiO₂) with copper porphyrins for the CO₂ reduction by electrocatalysis, photocatalysis, and photoelectrocatalysis using UV/vis light and different potentials during 2h. For this, NtTiO₂ were constructed by anodization [2] and modified with three different porphyrins: [Cu(T4H3MPP)] (NtTiO₂-P1), [Cu(TDCPP)] (NtTiO₂-P2) and [Cu(TDCSPP)] (NtTiO₂-P3) (P1 and P2 = neutral copper(II)porphyrins and P3 = anionic Cu(II)porphyrin) using a wet chemical deposition method. These electrodes were characterized by SEM, XRD, linear and cyclic voltammetry. The CO₂ reductions were performed in 0.1 mol L-1 Na₂SO₄ with CO₂ using a photoelectrochemical reactor and Xe lamp of 300 W (Newport 67005) [3]. The NtTiO₂-P1 electrode when compared with the other materials presented a more homogeneous surface with porphyrin dispersed on well organized nanotubes and bang gap of 2.9 eV. The XRD showed the characteristics peaks of anatase and copper oxide II phases in all materials. The photoactivity of the semiconductors presented the same behavior for the three materials, showing a good response under light incidence, as the cyclic voltammetry that showed a new peak in presence of CO₂ around -0.8 V. All the semiconductors were applied in the CO₂ reduction with the best results obtained under -0.8 V for photoelectrocatalysis. Methanol was formed under all semiconductors, with different concentrations: 0.35 mmol L-1 for (NtTiO₂-P1) and 0.020 mmol L-1 for the other materials, while ethanol formation occurs just on NtTiO₂-P1 semiconductor forming 0.03 mmol L-1.The electrocatalysis and photocatalysis presented a smaller methanol and ethanol formation applying NtTiO₂-P1 electrode. [Cu(T4H3MPP)] porphyrin presented the best adsorption in the TiO₂ nanotube surface and NtTiO₂-P1 semiconductor yielded the higher concentration of products formation by the CO₂ reduction.

[ElectrochemistryPoster15] Assessment of Polydopamine and Nafion effect in the functionalization of TiO2 nanotubes electrodes with Cu2O nanocubes for the photoelectrocatalytic conversion of CO2 under visible light
Lilian Danielle De Moura. Torquato ¹ ; Fabian Andree Cerda. Pastrian ² ; João Angelo. Lima Perini ³ ; Juliana. Ferreira De Brito ⁴ ; Susana Ines Cordoba. De Torresi ² ; Maria Valnice. Boldrin Zanoni ⁴ ; ¹Sao Paulo State University (UNESP), Araraquara, Brazil; ²University of Sao Paulo, São Paulo, Brazil; ³São Paulo State University (UNESP), Araraquara, Brazil; ⁴Institute of Chemistry-Araraquara UNESP, Araraquara, Brazil;
Paper Id: 321 [Abstract]

An environmental threat concern for the Earth's climate is the excessive level of CO₂ in the atmosphere, which reached an astounding 408 ppm in February 2018. Thus, the development of efficient alternatives for removal, sequestration, use, and conversion of this gas through higher value-added products has become a great challenge nowadays [1]. With remarkable advances in the past decades, photoelectrocatalysis techniques have proven to be viable alternatives for CO₂ conversion to formic acid, methane, methanol [2] and ethanol [3]. The present work investigates the properties of Polydopamine (PDA) and Nafion® (NF) as mediator's polymers in the modification of TiO₂ nanotubes (NtTiO₂) with Cu₂O nanocubes (NcCu₂O) and its applicability in CO₂ conversion. The use of PDA and NF promoted great adhesion of NcCu₂O previously synthesized as demonstrated by the results of MEV-FEG, Infra-Red, Diffuse Reflectance Spectroscopy, and photocurrent vs potential curves. However, NtTiO₂/PDA-NcCu₂O electrodes showed better adhesion and stability, higher performance when excited by UV-Vis irradiation, and good photoactivation even when excited by solar radiation. Assessment of the photoelectrocatalytic performance of both electrodes in the CO₂ reduction dissolved in 0.1 mol L-1 Na₂SO₄, pressure of 1 kg f cm-2, applied potential of 0.2 V vs Ag/AgCl and UV/Vis irradiation, indicates that the results are improved at NtTiO₂/PDA-NcCu₂O electrodes. The selective conversion of CO₂ to methanol after 120 min of photoelectrolysis was 14% (10 ppm), 40% (7 ppm) and 20% (4 ppm) higher when PDA was used, and the system illuminated by UV/Vis radiation of 300 W, 125 W lamp and solar simulator radiation, respectively. Our findings indicate that the use of PDA is a good strategy to obtain heterojunction p-n semiconductors and to improve its performance in the visible light region. The photoelectrocatalysis conducted at NtTiO₂/PDA-NcCu₂O is a promising alternative to convert CO₂ to added value compounds.

[ElectrochemistryPoster16] Development of Screen-printed Electrodes Based on Laboratory-made Conductive Inks Derived From Renewable Sources and Recycled Polymers.
Deivy. Wilson ¹ ; Robson. Rosa Da Silva ¹ ; Hernane. Silva Barud ² ; Sidney. J. L. Ribeiro ³ ; Osvaldo. N. De Oliveira Jr ¹ ; ¹Instituto de Física de São Carlos, USP, São Carlos, Brazil; ²Universidade de Araraquara, Araraquara, Brazil; ³Institute of Chemistry, Sao Paulo State University, Araraquara, Brazil;
Paper Id: 404 [Abstract]

Screen-printed electrodes (SPEs) are devices widely employed in the manufacturing of sensors and biosensors, because they have good stability and are manufactured by simple and scalable techniques. Furthermore, these electrodes can be easily modified with biomolecules— the best-known example being the glucose biosensor used in the diagnosis of Diabetes mellitus, which represents a market of approximately one billion of US Dollar [1]. In this work, we developed a method for manufacturing screen-printed electrodes using a laboratory-made conductive ink, employing terpene solvent, preferentially d-limonene, recycled polymeric additive derived from petroleum polymers, specifically polystyrene and micronized graphite and carbon black nanoparticle as conducting components [2]. In the process of conductive ink production, the concentrations of the components were optimized and appropriate parameters were established to obtain several types of inks with viscosity, surface area, and electric resistance modulated for the desired applications. After a complete characterization, screen printed electrodes were fabricated with two composition of the obtained laboratory-made conductive inks. A proof of concepts of their analytical application was made for the determination of ferrocene, catechol, ascorbic acid, hydroquinone, and potassium ferrocyanide/ ferricyanide.

SESSION:MoltenPoster	Fehrmann International Symposium on Sustainable Molten Salt and Ionic Liquid Processing (6th Intl. Symp. on Sustainable Molten Salt and Ionic Liquid Processing)
	Room: Foyer
Poster Session	4-7 Nov, 2018

[MoltenPoster1] Electrochemical Behaviour of Molybdenum Oxide and its Compounds in Carbamide Melts
Sergei. Devyatkin ¹ ; Svetlana. Kochetova ² ; 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: 18 [Abstract]

Carbamide melts have found applications as electrolytes for electrochemical treatment of metals [1]. The possibility of electrodeposition of refractory metals from carbamide melts at 1350°С has been examined for molybdenum as an example. When studying the electrochemical behaviour of molybdenum oxide and its compounds (MoO₃, Li₂MoO₄, Na₂MoO₄, K₂MoO₄ or CaMoO₄) in molten carbamide, it can be concluded that maximum limiting currents are typical of the system (NH₂)2CO-Na₂MoO₄. Micron Mo coatings on nickel cathodes and metallic Mo powder have been obtained by the electrolysis of the molten system (NH₂)₂CO-Na₂MoO at current densities of 10-20 mA/cm².

[MoltenPoster2] Molten Re(VII)-Oxosulfato Complexes in the Re2O7-K2S2O7 System Studied by Raman Spectroscopy at 260-470°C
Chrysanthi. Andriopoulou ¹ ; Ioannis. Anastasiou ² ; Soghomon. Bogosian ² ; ¹FORTH-ICE/HT and University of Patras, Patras, Greece; ²University of Patras, Patras, Greece;
Paper Id: 67 [Abstract]

Dissolution reactions of transition metal oxides (e.g. V₂O₅, Nb₂O₅, MoO₃, WO₃) in molten pyrosulfate, and formation of the corresponding molten metal oxosulfato complexes [1-4] have expanded our knowledge on coordination chemistry of the pertinent transition metals, and provided a very useful family of coordination complexes as reference compounds for understanding the molecular structure of supported metal oxides, commonly used as catalysts [5]. Herein, we show that the oxide of a heptavalent transition metal, Re₂O₇ (m.p. 297°C), undergoes likewise a reaction-induced dissolution in molten potassium pyrosulfate. Large amounts of Re₂O₇ can be dissolved in molten K₂S₂O₇ (i.e. a mixture with X(Re₂O₇) = 0.5 fuses readily at 260°C). The structural and vibrational properties of molten Re(VII)I oxosulfato complexes formed in binary Re₂O₇-K₂S₂O₇ (as well as ternary Re₂O₇-K₂S₂O₇-K₂SO₄) molten mixtures under O₂ atmosphere and static equilibrium conditions are studied by Raman spectroscopy at temperatures of 260-470°C. The corresponding composition effects are explored in the X(Re₂O₇) = 0 - 1 range. A quantitative exploitation of the relative Raman band intensities, due to the species present at static equilibrium, allows to determine the stoichiometry of the reaction taking place in the binary system [Re₂O₇ + nS₂O₇(2-) = C(2n-)] pointing to n = 1. Temperature and composition dependent evolutions of molecular structures and configurations are discussed and consistent band assignments are proposed.

[MoltenPoster3] Electrical Conductivity of Molten InCl₃
Alexei. Potapov ¹ ; Alexander. Salyulev ¹ ; ¹Institute of High Temperature Electrochemistry, Ekaterinburg, Russian Federation;
Paper Id: 101 [Abstract]

There are a very small number of molten halides, which have negative temperature coefficients of electrical conductivity, starting from the salt melting point [1]. We have established [2] that among them are the melts of ZrCl4 and HfCl4, existing only in the narrow (a few tens of degrees) temperature range at high (22-58 atm) pressures of saturated vapors. According to the only publication on this subject [3], the electrical conductivity of molten InCl₃ also decreases as the temperature increases. This substance melts at 5820 under the vapor pressure of 12 atm, and there is no published data on the critical point of the melt. It is assumed [4] that the structure of molten indium trichloride is intermediate between the molecular configurations of InCl₃, In₂Cl₆, and the network structure of molten YCl₃-type. Our experimental data on the electrical conductivity of molten InCl₃, obtained in a wider temperature range (589-736 °C) than in [3] in a special capillary-type quartz cell with tungsten electrodes, confirm the Klemm's information [3] on the negative temperature coefficient conductivity of the melt, but deviate by 2-7% to the higher values. With a good approximation (R2 > 0.998) our experimental data are represented by the equation: k = 0.89545 - 3.3764*10-4*T - 2.3178*10-7*T₂ , S/cm; T, K. The density, molar conductivity, and activation energy of molten InCl₃ were calculated. The reasons for the appearance of negative temperature coefficients of conductivity polytherms of molten salts are discussed.

[MoltenPoster4] Electrical Conductivity of Molten Mixtures of LiCl-KCl Eutectic with Lanthanide Trichlorides
Alexander. Salyulev ¹ ; Alexei. Potapov ¹ ; Vladimir. Shishkin ¹ ; ¹Institute of High Temperature Electrochemistry, Ekaterinburg, Russian Federation;
Paper Id: 102 [Abstract]

The aim of this work is to provide the experimental basis for the development and verification of the model of electrical conductivity of complex molten mixtures based on LiCl-KCl. This communication is a continuation of our work [1]. Such mixtures are formed at the anodic dissolution of spent nuclear fuel into the molten LiCl-KCl eutectic. To achieve this goal, we measured the electrical conductivity of molten mixtures of LiCl-KCl eutectic with CeCl₃, NdCl₃ and CeCl₃ + NdCl₃ (1:1). The measurements were carried out over the entire concentration and in wide temperature (up to 800-950°C) ranges. The lower temperature of the measurements was 5-10 degrees below the liquidus temperature of all compositions in order to fix the onset of the crystallization temperature. The electrical conductivity of all melts increases with temperature and decreases as the concentration of trichlorides increases. The specific electrical conductivity (S/cm) of a number of molten mixtures of LiCl-KCl eutectic with CeCl₃ and NdCl₃ is exemplified below: k = -3.8121 + 8.5652*10-3T - 2.8313*10-6T2, (752-1076 K) 10mol.% CeCl₃ + 10mol.% NdCl₃; k = -3.7858 + 6.8563*10-3*T - 1.7911*10-6*T2, (890-1122 K) 50.8 mol.% CeCl₃ ; k = -2.8669 + 4.5885*10-3*T - 8.2555*10-7*T2, (981-1102 K) 80 mol.% NdCl₃. For the mixtures under study, the density was estimated and the molar conductivity was calculated. In all molten (LiCl-KCl)eut. - LnCl₃ mixtures studied, the significant negative deviations (up to -40% in maximum) of molar conductivity from additive values were observed over the whole concentration range, indicating a strong complexation in the systems.

[MoltenPoster5] Investigation of the Distillation Characteristics of LiCl-Li₂O Molten Electrolyte
Alexander. Salyulev ¹ ; Alexei. Shishkin ¹ ; Alexei. Potapov ¹ ; Vladimir. Shishkin ¹ ; Yurii. Zaikov ¹ ; ¹Institute of High Temperature Electrochemistry, Ekaterinburg, Russian Federation;
Paper Id: 104 [Abstract]

The metal product of the electrolytic reduction of oxide spent nuclear fuel in molten LiCl-Li₂O mixtures retains about 8-30 wt% of the residual LiCl-Li₂O salt. The salt occluded in the uranium metal should be removed by vacuum distillation. The purpose of this work is to study the distillation of the LiCl-Li₂O mixture (without uranium). We have tested different distillation regimes. The distillation of LiCl-Li₂O melts (3 wt.%) was carried out in quartz tubes at 750-800°C and the pressure of (1-3)*10-2 mm Hg for 30-70 min. Herewith, the initial mixture was kept in the MgO crucible. The crucible was weighed before and after the experiment. The salt remaining in the crucible and the sublimates were analyzed for Li₂O content. The amount of Li₂O was determined by titration of the aqueous solutions of the salts with a pH meter, and also by ICP-AES. The results of our studies do not confirm the conclusions of ref. [1] on the significant co-evaporation of hardly volatile lithium oxide together with more volatile LiCl during distillation. In our experiments, the fraction of evaporated lithium oxide remained insignificant (less than 1-3%), regardless of the fraction of evaporated LiCl (25-95%). The loss of large amounts of Li₂O from the initial mixture of LiCl-Li₂O is possible either with spattering of the melt in the case of rapid evaporation of LiCl, or as a result of a side reaction of the uranium metal oxidation with Li₂O in residual salts: U + 2Li₂O * UO₂ + 4Li. This reaction becomes probable at temperatures above 850-900°C due to the evaporation of metallic lithium at such temperatures.

[MoltenPoster6] Oxidation of NO to NO&lt;sub&gt;2&lt;/sub&gt; by SILP materials promoted by trace alcohol
David. Nielsen ¹ ; Alexander W.. Liljegren ¹ ; Susanne. Mossin ¹ ; Rasmus. Fehrmann ¹ ; ¹DTU Chemistry, Lyngby, Denmark;
Paper Id: 249 [Abstract]

Nitrogen oxides (NO_x) are formed in combustion processes and are known to cause acid rain and to promote the formation of smog [1]. NO_x emissions are under increasing legislative control, and improved technologies for preventing NO_x emissions are needed. In particular, the areas of biomass fired boilers and mobile sources of NO_x emission have proven challenging for the traditional vanadia-based catalyst, and low-temperature DeNOx technologies are attractive. Selective Catalytic Reduction of NO_x by NH₃ (SCR) can be utilized to minimize the emission of NO_x. The catalysts used for SCR are mainly vanadia, copper, or iron based. The formation of N₂ and H₂O can be obtained at a much higher rate, when NO₂ is present during the SCR process [2]. This is known as fast SCR and can be an important step in implementing more efficient SCR technologies, including low-temperature processes for tail-end application. During the investigation of Supported Ionic Liquid Phase (SILP) based catalysts to oxidize NO, it was discovered that the addition of alcohol could promote the NO oxidation to NO₂ [3]. A silica-based 1-butyl-3-methylimidazolium nitrate, [BMIM][NO₃], SILP material was prepared and tested under various conditions, including various temperatures (0-120°C), varying NO concentration and the addition of methanol. Preliminary results show significant conversion of NO to NO₂ can be obtained in continuous flow at ambient temperatures and high water content. The dependence on setup and optimum flow conditions are currently being investigated.

[MoltenPoster7] Hydrogen Storage with Liquid Organic Hydrogen Carriers (LOHCs) in Biphasic Molten Salt Systems
Alexander. Soegaard ¹ ; Anders. Riisager ² ; Peter. Wasserscheid ³ ; ¹DTU Chemistry, Kongens Lyngby, Denmark; ²DTU Chemistry, Kgs. Lyngby, Denmark; ³Friedrich-Alexander-Universitat, Erlangen, Germany;
Paper Id: 254 [Abstract]

Hydrogen is an attractive energy vector for future renewable energy systems [1]. Using novel Liquid Organic Hydrogen Carrier (LOHC) systems, hydrogen can be chemically bound/released through catalytic hydro-genation/dehydrogenation, and thus be stored and transported efficiently under ambient conditions [2]. This simplifies handling and enables transport and storage using already existing infrastructure for liquid fuels, resulting in reduced investment cost for implementation [3]. However, due to high dehydrogenation enthalpies, reactions are often performed above 300 °C, which possess a challenge for heat integration with state-of-the-art PEM fuels for clean energy production [4]. In this work, reversible catalytic hydrogenation/dehydrogenation of N-functionalized heterocycles are demonstrated as efficient LOHC systems operating as low as 120 °C. Catalytic dehydrogenation with a homogeneous hydrogenation iridium catalyst in biphasic reaction mode using a molten salt as catalyst immobilization phase has been investigated. This approach facilitated easy catalyst separation and required only a small amount of catalyst phase to store large amounts of hydrogen, which is beneficial for future large-scale continuous hydrogen storage and release.

SESSION:ManufacturingPoster	Mamalis International Symposium on Advanced Manufacturing of Advanced Materials and Structures with Sustainable Industrial Applications
	Room: Foyer
Poster Session	4-7 Nov, 2018

[ManufacturingPoster1] Nanotechnology Enables Hot Gold Nanorods to Kill Cancer Cells and to Stop Live Cells from Migrating
Mostafa A.. El Sayed ¹ ; ¹Georgia Institute of Technology, Atlanta, United States;
Paper Id: 12 [Abstract]

Cancer claims the lives many people after several years of suffering and after unsuccessfully using a great deal of different treatments, like surgery, chemical and/or radiation treatments. The field of nanotechnology showed us how different materials acquire so many different properties when their size is reduced to the nanometer scale. Gold nanoparticles having rod shape of nanometer size and a length/width ratio of 3:1 can absorb near infrared light (to which our body is transparent) and convert it into heat. If solution containing gold nanorods is injected into a cancer lump and exposed to near infrared light the hot solution (resulting from the gold nanorods upon absorbing the near infra-red light) melts the cancer cells leading to their death. This was demonstrated by our group in the photo-thermal destruction and destroying cancer cells in solution, in cancer lumps in small and in large animals. [1-4] Normally, some of the cancer cells that do not die are able to migrate to other parts of the body, away from the location of their initial formation spot, until they are located in a sensitive part of the body that leads to cancer patient death. This process in which cancer cells migrate is called metastasis. Very recently, however, we discovered [5] that in our photo-thermal treatment, while treating cancer cells in the first cancer location with hot gold nano-rods, the cancer cell's legs and arms and the motion proteins are photo-thermally destroyed. This makes it difficult for the cancer cells to migrate to new and more important functional locations in the body. This treatment is thus effective in stopping cancer cell migration through the patient body and increases the success rate of the patient recovery.

[ManufacturingPoster2] Multiphysics Challenges in Industrial Applications
Mojtaba. Moatamedi ¹ ; Basem. Alzahabi ² ; ¹University of Manchester, Manchester, United Kingdom; ²Al Ghurair University, Dubai, United Arab Emirates;
Paper Id: 61 [Abstract]

Multiphysics simulation is a relatively new class of analysis in the field of engineering and science. Previously numerical modelling involving both fluid and structure was undertaken using two separate codes, a Computational Fluid Dynamics (CFD) code for the fluid analysis and a Finite Element Analysis (FEA) code for the structural response. Recent advances in technology now enable the modelling of both fluid and structure within a single code, enabling a fully coupled analysis to be performed. This talk concentrates upon a number of applications concerned with the multiphysics modelling in real industrial problems involving new materials challenges. These problems include a series of experimental data and simulations such as Concorde accident investigation, airbag certification, nuclear incident and other complex investigations. Experimental verification and validation of the numerical codes is essential in such practical applications to reduce the cost and enhance safety in design and manufacturing. The comparison between experiment and numerical analysis will be discussed in the above-mentioned applications.

[ManufacturingPoster3] Analysis of 3D Scanning Measurements of the Plastically Deformed Aircraft Elements
Krzysztof. Zaba ¹ ; Sandra. Puchlerska ¹ ; Jaroslaw. Mizera ² ; Ryszard. Sitek ³ ; ¹AGH University of Science and Technology, Kraków, Poland; ²Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw, Poland; ³Faculty of Materials Science and Engineering, Warsaw University of Technology, WARSAW, Poland;
Paper Id: 139 [Abstract]

3D scanning is a non-destructive method that allows for quick measurements of elements with varied shapes, to an accuracy of 0.05mm [1]. Due to its high universality, this method has been used in medicine [2], archaeology [3], reverse engineering [4] and in many industries, such as in aviation, automotive, energy production, foundry, plastics, etc. This paper presents the results of research aimed at the quality assessment of plastically deformed elements, using the 3D scanning method. For the tests, shell elements of plane made of aluminum alloys and jet engine housing made of nickel alloys were selected. The measurements were made with the GOM ATOS optical scanner. Analysis of the measurements in the form of dimensioned details, compared with CAD data and mathematical modeling, color map of deviations, displacement map, and inspection sections were made using the GOM INSPECT software.

[ManufacturingPoster4] Strong Electron Correlations in Oxides: The Route to Promising Functional Materials
Bernard. Raveau ¹ ; ¹University of Caen, Normandy, France;
Paper Id: 155 [Abstract]

The great ability of transition metal oxides to exhibit strong electron correlations allows numerous unexpected physical properties to be generated, that are of high interest for applications as functional materials. We review herein some examples of oxides that have been the object of numerous investigations. The first class of oxides involves a delocalization of hole or electron carriers over their metal-oxygen framework, in order to induce exceptional conduction properties. This requires a mixed valence of the transition element and specific characteristics such as Jahn-Teller effect and structure bi-dimensionality. This is the case of high critical temperature (Tc) superconducting cuprates which are of great interest in electronic applications, but also in high current applications for saving energy, and as magnetic bearings. Similarly, perovskite oxides have been investigated for their potential as magnetic memory materials as for example in the studies of colossal magnetoresistance (CMR) manganates. A third example is given by the thermoelectric cobaltates which exhibit good performances at high temperature for saving energy by conversion of waste heat into electricity. Two other classes of oxides have recently been shown to exhibit a potential for applications in the field of memory devices and quantum computation. The first one, called multiferroics originates from the combination of ferroelectricity and ferromagnetism or antiferromagnetism. Most of these oxides are bismuth based ferrates and manganates with the perovskite structure. Recently, a cobaltate with a triangular metallic sub-lattice, CaBaCo₄O₇, belonging to the Swedenborgite family has been shown to be a ferrimagnetic multiferroic with a gigantic induced electrical polarization. This huge change of polarization suggests that this oxide may have important technological applications, when a modest magnetic field below 1T is applied. The second class of oxides belongs to the triangular spin chain oxide family represented by the oxide Sr₄Mn₂CoO₉.The latter show the possibility to realize low dimensional magnets (0D or 1D) similar to those obtained for the large family of molecular compounds, which have been extensively studied for the generation of single molecule magnets (SMM) and single chain magnets (SCM). These oxides which are highly stable compared to molecular compounds, pave the way for future investigations.

[ManufacturingPoster5] Transition Metal Oxides: A Vast Investigative Field for Functional Materials
Bernard. Raveau ¹ ; ¹University of Caen, Normandy, France;
Paper Id: 156 [Abstract]

Transition metal oxides have been the object of numerous investigations by solid state chemists and physicists since the pioneering work on oxygen tungsten bronzes by Hägg and Magnéli in the 1950a's. Due to the diversity of their structural frameworks and of the d-electron interactions of the transition elements, very attractive physical properties were observed for oxides. Their high stability at different temperatures and in various atmospheres and the possibility to fabricate them either in the form of dense polycrystalline ceramics, or of single crystals, but also of thin films and as nanoparticles, make that the properties of these materials can be easily tailored and optimized by doping with various elements in view of specific applications. Curiously, the realization of oxide-based functional materials has been rather limited until 1986, date of the discovery of high critical temperature (Tc) superconductivity in cuprates. We discuss herein the role of several classes of transition metal oxides in the realization of functional materials. From the numerous high Tc cuprates that were discovered during the rush to superconductivity, YBCO and BiSCCO superconductors which exhibit a zero resistance below 90 K/ 110 K , are now used as functional materials. The latter allow high magnetic fields to be produced without any overheating and consequently are used for medical purpose (magnetic resonance imaging of the brain), but also in high current transportation cables, current leads and accelerator electromagnets. Electronic applications of these cuprates have also been realized, as for example electrical motors, SQUID detectors based on Josephson junctions (earth, submarine, brain) and microprocessors for ultra-rapid computers. The Meissner effect of these oxides makes that they are used in magnetic levitation as for example in Maglev trains and magnetic bearings. Cobaltates represent a very important class that is investigated for producing and saving energy in transportation. This is the case of lithium-based cobaltates that are used as electrode materials in lithium ion batteries. and of bismuth/alkaline earth "misfit" cobaltates which exhibit good thermoelectric performances at high temperature in air (high thermoelectric power, low resistivity and low thermal conductivity) allowing to save energy by conversion of waste heat into electricity. Similarly, cobaltates and manganates with an ordered oxygen deficient perovskite structure exhibit an exceptionally high oxygen mobility and consequently are attractive materials for solid oxide fuel cell (SOFC's) applications. Metal oxides containing Mn/Fe/Co have also been investigated for their potential in the field of memory devices and quantum computation. This is exemplified by numerous studies of colossal magnetoresistance (CMR) manganates. Recently, oxides called multiferroics, with complex properties, combining ferroelectricity and ferromagnetism have been discovered, with gigantic variation of polarization suggesting possible applications in this field.

[ManufacturingPoster6] Effect of Deformation on Phases Formation and Properties of Surface Layers in Fe-based Alloys Under Diffusion of N and C
Sergii. Sidorenko ¹ ; Lesya. Demchenko ² ; Anatoliy. Titenko ³ ; Tie-zhen. Ren ⁴ ; ¹Igor Sikorsky Kyiv Polytechnic Institute, Kyiv, Ukraine; ²National Technical University of Ukraine "Igor Sikorsky Kyiv Politechnic Institute", Kyiv, Ukraine; ³Institute of Magnetism, NAS of Ukraine, Kyiv, Ukraine; ⁴Hebei University of Technology, Tianjin, China;
Paper Id: 178 [Abstract]

The diffusion saturation of iron-based alloys with nitrogen and carbon is widely used in industry for increasing strength, hardness, wear, and corrosion resistance of metal products operating in extreme environments. Inexhaustible and unrealized potentialities of such treatments are unconvered when applying it under strain and stress condition [1]. In this context, the question at hand is to clarify diffusion and strengthening mechanisms of strained alloys under chemical-thermal treatment by N and C. The effect of preliminary plastic deformation from 5 to 70 % with the step 5 and 10 % on nanostructured diffusion layers formation, kinetics of their growth, chemical and phase composition, and microhardness were studied in <i>α</i>-Fe and iron-based (Fe-Cr, Fe-Ti, Fe-Cr-Ti, Fe-Ni) alloys doped with Cr, Ti or Ni in the amount of (0.5-2.0wt.%) after the saturation with nitrogen and carbon from a gas mixture of ammonia and propane-butane, at 853 K for 0.5; 1; 2; 4; 6; 8 hours [2]. As a result of the investigation, it was found that the diffusion layer is a combination of surface layers of different nanosized nitride phases (<i>ξ</i>-, <i>ε</i>-, <i>γ'</i>-), nanostructured (<i>γ'</i> + <i>ε</i>-) — eutectoid layer and a nanostructured zone of internal saturation (<i>α</i>- phase). Deformation considerably affects the phase formation, structure, microhardness, and thickness of nitrided layers. Microhardness test of the nitrided layers led to the discovery of narrow intervals of deformations of 3-8 % and 20-30 %, in which there was considerable rise (about double) of the surface diffusion layer's microhardness in <i>α</i>-Fe after nitriding. The high microhardness of the diffusion layers results from the formation of nanosized <i>ε</i>- and <i>γ'</i>- nitrides. The concentration distribution of N and C and the depth of their penetration also depends on the deformation degree, correlated with the microhardness test results. The possible mechanisms of diffusion and mass-transfer of interstitials (N and C) in deformed alloys are discussed, and in particular, the possibilities of the interstitials mass-transfer with mobile dislocations in deformed alloys according to the dislocation-dynamic mechanism are considered [3].

[ManufacturingPoster7] Influence of the Heat Treatment Atmosphere on Coercivity of [FePt/Au/FePt]2x Thin Films
Sergii. Sidorenko ¹ ; S.m.. Voloshko ¹ ; A.k.. Orlov ¹ ; I.a.. Vladymyrskyi ¹ ; K.. Kato ² ; T.. Ishikawa ² ; ¹Igor Sikorsky Kyiv Polytechnic Institute, Kyiv, Ukraine; ²RIKEN SPring-8 Center, Hyogo, Japan;
Paper Id: 179 [Abstract]

FePt-based thin films are attractive materials for ultrahigh density magnetic recording application, due to their excellent magnetic properties [1-4]. However, for high coercivity provision, it is necessary to apply high temperature heat treatment to form ordered L1₀-FePt phase from initially disordered A1-FePt phase [5]. Particularly, it was determined that presence of H₂ in inert annealing atmosphere leads to thermal stabilization of FePt films grains size and surface roughness [6]. [FePt(15 nm)/Au(7,5 nm)/FePt(15 nm)]2_x thin films were deposited by dc magnetron sputtering onto thermally oxidized Si(100) substrates at room temperature, using FePt alloy (99,95 %) and Au (99,9 %) targets. Post-annealing of the film samples in temperature range of 500°C - 800°C was carried out in flowing Ar and Ar + H₂ (3 vol.%) atmospheres for 30 s, using a fixed heating rate of 10°C/s. Structural properties of the as deposited and post-annealed films were investigated by the grazing-incidence wide-angle X-ray scattering (GIWAXS) method [7]. Magnetic properties were measured by superconductive quantum interference device-vibrating sample magnetometry (SQUID-VSM). It was founded, that H₂ introduction into annealing atmosphere allows to reach high coercivity (21 kOe) after annealing at 600°C. Hydrogen presence leads to residual oxygen reduction from the heat treatment atmosphere and as a result to ordering process suppression. It was concluded that chemical ordering, texture formation of ferromagnetic grains, and its size in our case are not determining factors for provision of coercivity high values, because these properties were almost equal after annealing in both investigated atmospheres. Hydrogen incorporation into Au crystal lattice can lead to breaking of interatomic bounds and point defects formation. This effect could be related to acceleration of Au grain boundary diffusion into L10-FePt phase under mechanical stresses influence.

[ManufacturingPoster8] Prediction of Suitable Material for Ag/Me/Graphene Interface as Front Contact for Solar Cells
Sergii. Sidorenko ¹ ; Weiping. Gong ² ; Zhaohui. Guo ² ; Weidong. Xie ² ; Min. Liu ² ; S.. Konorev ¹ ; M.. Fedorov ¹ ; S.m.. Voloshko ¹ ; ¹Igor Sikorsky Kyiv Polytechnic Institute, Kyiv, Ukraine; ²Huizhou University, Huizhou, China;
Paper Id: 181 [Abstract]

One of the main problems of solar cells with Si working area and Ag front contact grid is contact degradation, because Ag has high diffusivity, which is also enhanced by the electric current [1]. Through time, electrical resistivity of such contact interface grows, resulting in low conversion efficiency. New generation contacts include coating of silver grid with diffusion barrier material (Me) and covering the surface with Graphene monolayer (G) to overcome presumable lowering of contact conductivity. In order to design a new generation of contacts, it is necessary to investigate the properties of Ag/Me and Me/G interfaces. In previous works, the diffusion properties of coatings were investigated in order to find the diffusion barrier for Ag. The aim of the current work is to investigate the electrical resistivity of Ag/Me interface. Simulations were conducted in Abinit software using the LDA Troullier-Martins pseudopotentials and PAW pseudopotentials. FCC lattice structure was chosen for all materials despite their stable lattice, representing the epitaxial growth of coating on the Ag conductive grid. Other important material properties were analyzed in literature [2, 3] and the combination of best properties resulted in the ideal material for applications in solar cell contacts coating.

[ManufacturingPoster9] Surface Relaxation and Stress on Ti/Graphene Systems
Sergii. Sidorenko ¹ ; Weiping. Gong ² ; Zhaohui. Guo ² ; S.. Konorev ¹ ; S.m.. Voloshko ¹ ; ¹Igor Sikorsky Kyiv Polytechnic Institute, Kyiv, Ukraine; ²Huizhou University, Huizhou, China;
Paper Id: 182 [Abstract]

Graphene can be used as a top contact in the solar cell, because it has good values of conductivity, optical transparency, and mechanical properties. Thus, the study of graphene influence on the structure and properties of materials surfaces is highly interesting [1]. In our previous work, we studied the "bcc Fe / Graphene" system. In this work, we performed the research on the "hcp Ti / Graphene" system. Modified embedded atom method (MEAM) [2] describes the relaxation processes well, even the anomalous [3]. Molecular dynamics and MEAM potential was used to study of relaxation surfaces (0001), (1-100), (11-20) Ti before and after the graphene coating for two temperatures: 300K and 400K. Interplanar distances, atoms distribution along a normal to the surface, radial distribution function for surface layers were calculated. Their analysis is presented in this report. The form of the relaxation changes after the graphene coating. Reconstruction of the surface layer was detected in the system (11-20) Ti/graphene. The relief of the structure was demonstrated for different surfaces.Total and axial stresses were calculated for all systems and for the systems' components separately. Their analysis is also presented. Comparison of the results for the "bcc Fe / Graphene" and "hcp Ti / Graphene" systems were conducted. Data analysis allows conclusions to be drawn about time-temperature stability of the system, and its potential use in solar energy.

[ManufacturingPoster10] Sustainable Industrial Applications via Solid State Polycondensation
Constantine. Papaspyrides ¹ ; ¹NATIONAL TECHNICAL UNIVERSITY OF ATHENS, AVLONAS, Greece;
Paper Id: 183 [Abstract]

The core of the lecture lies in the area of the so called "green" polymerization processes towards the synthesis of polyamides, including high-performance materials. The solid-state polycondensation route, starting from polyamide monomers, will be analysed and correlated to the resulting polyamide structures, covering aliphatic and semi-aromatic repeating units. In particular it is claimed that monomer structures more organized, in terms of polar coordination and rigidity, reveal different modes of SSP behavior with the emphasis given on the undesirable solid-melt transition during reaction. Chemoenzymatic strategies will be also discussed, while the use of micro-reactors as a cost-effective research technique is launched for reaction monitoring, identification of optimum reaction conditions, and safe process scale-up.

[ManufacturingPoster11] The Correlation Between the Mineralogical Composition and the Surface Properties of Inorganic Natural Materials
Yuliya. Danchenko ¹ ; ¹Kharkiv National University of Civil Engineering and Architecture, Kharkiv, Ukraine;
Paper Id: 225 [Abstract]

Inorganic natural materials (INM) play an important role in most manufacturing and industrial fields. One of the most widespread approaches of INM usage is as the filling of polymeric structural materials (PSM) for building and city infrastructure. The INM usage as filling is determined by its environmental friendliness, affordability, and cheapness. Thanks to such filling, there is the possibility to get PSM of various technical and technological functions, such as: trickling and gluing compositions, thick-film and mastic coverings, poured and injection materials, compositions for product forming, as well as materials for restoration and remedial works. The usage of INM allows the creation of PSM according to special service characteristics: resistant to biologically and chemically aggressive environments, or conversely, able to biologically ruin fire-proofing, atmosphere-proofing, heat-proofing, and resistance to several kinds of radiation with improved adhesion resistance and other characteristics [1]. The structure, technology, and service characteristics of PSM depend on the interface line interactions of the phases' polymer fillers. The intensity and the manner of interphase interactions are determined by the polymer nature and INM surface properties, which are added in a dispersed form. INM surface properties are characterized by the chemical nature of the surface active centers and free surface energy. Brønsted and Lewis surface active centers with particular value of acid basic power pKa are developed as the result of water molecule adsorption (desorption) [2]. Free surface energy is determined by uncompensated surface energy on the interface line of the phases "solid-body-gas" and depends on INM mineralogical nature [3]. Thus, it is evident that the mineralogical composition, pKa of active centers and the value of INM free surface energy correlate with each other. There have not been any research that confirms this hypothesis. Three INM mineralogical groups have been chosen for the research. They are clayey, quartz, and oxide. The mineralogical composition was determined by the X-ray phase analysis. The acid basic values of the surface were researched with the help of theoretical quantum-chemical modeling and the experimental potentiometric and the colorimetric methods [4, 5]. The value of free surface energy was estimated by computing way with the usage [3]. Consequently, the correlational relations between mineralogical composition, surface acid basic, and INM energy characteristics have been found out during the complex research. It has been demonstrated, that in the limits of quartz, clayey, and acid INM mineralogical groups, these relations exist with the correlation coefficient of 0,62 - 0,93.

[ManufacturingPoster12] Comparison of Mechanical Properties of Samples Obtained by Injection Molding and FDM Printing
Marcin. Bilewicz ¹ ; Tomasz. Tański ² ; ¹, Gliwice, Poland; ²Silesian University of Technology, Gliwice, Poland;
Paper Id: 243 [Abstract]

Rapid prototyping is the new engineering tool that is nowadays being extensively developed. One of the most common and dynamically growing increment technologies patented in 1992 by the company Stratasys is the FDM technique (Fused Deposition Modeling), in which the actual model of the product is made by extruding thermoplastic fibers through extruder. The FDM method uses artificial plastic as a building material, which is ABS and its derivatives are characterized by increased strength properties [1]. The samples obtained using injection molding and plasticized material extrusion (FDM) were the subjected to mechanical properties tests. It was found that manufacturing method defines mechanical properties for specific parameters.

[ManufacturingPoster13] Giant Magneto-impedance Sensor for Steel Health Monitoring
Spyridon. Angelopoulos ¹ ; Xenia. Vourna ¹ ; Aphrodite. Ktena ² ; Panagiotis. Tsarabaris ¹ ; Evangelos. Hristoforou ¹ ; Athanasios G.. Mamalis ³ ; ¹National TU of Athens, Athens, Greece; ²TEI of Chalkida, Chalcis, Greece; ³PC-NAE, Demokritos National Center for Scientific Research, Athens, Greece;
Paper Id: 297 [Abstract]

The measurement of surface magnetic permeability is a very useful non-destructive testing technique. A new sensor is described, providing a method for measuring surface magnetic permeability and residual stress. The development and use of this type of sensor eliminates the requirement of permanent magnets or coils in order to produce the magnetic field. On the contrary, the magnetic field is generated by a thin film current conductor, with a sensing element placed above. The sensing element, being an amorphous magnetic wire or ribbon, is affected by the principles of giant magneto-impedance. As a result, the output voltage of the sensing element, monotonically depends on the changes of the magnetic permeability of the ferromagnetic material, upon which the sensor is placed. Calibration of the sensor is mandatory, in order to provide accurate measurements. As a result, the changes of the magnetic permeability can be related with the residual stress tensor distribution on the surface of a ferromagnetic material under test. The advantages of this technique include high sensitivity, low uncertainty, high resolution, and high speed of measurements. The final results can be locally stored, or wirelessly transmitted to the preferred receiver. The sensor is easily manufactured, low cost, and is robust enough to be used in industrial environments.

SESSION:SISAMPoster	Zehetbauer International Symposium on Science of Intelligent and Sustainable Advanced Materials (4th Intl. Symp. on Science of Intelligent and Sustainable Advanced Materials (SISAM))
	Room: Foyer
Poster Session	4-7 Nov, 2018

[SISAMPoster1] Designing Ductile Bulk Metallic Glasses and Composites for Engineering Applications
Juergen. Eckert ¹ ; ¹Erich Schmid Institute of Materials Science, Leoben, Austria;
Paper Id: 204 [Abstract]

The structure of glasses is generally taken to be isoconfigurational, although it is well-known that the details of structure arrangement strongly depend on the temperature-time history experienced when establishing the glassy state. Recent studies of glass-forming metallic systems have revealed intriguing complexity, e.g. unusual shifts in radial distribution functions with temperature change or upon mechanical loading in the elastic or plastic regime. Nearest neighbour distances and medium-range order structural arrangements appear to change, e.g. shorten upon heating or become larger with decreasing temperature. Concomitantly, temperature changes as well as static or dynamic mechanical loading within the nominally elastic regime can trigger significant changes in glass properties, which are directly correlated with local non-reversible configurational changes due to non-affine elastic or anelastic displacements. All these findings strongly suggest that the characteristics of the atomic structure decisively determine the properties of the glass. Recent findings and developments along these lines will be summarized, and results from high-energy synchrotron x-ray radiation investigations at different temperatures, and after mechanical loading, will be related to the atomic structure of the material and its dependence on temperature, mechanical load, as well as intrinsic heterogeneities and length-scale modulation, such as to elucidate the correlation between atomic arrangement and mechanical properties.

[SISAMPoster2] Bulk Nanocrystalline Shape Memory Alloys Processed by Severe Plastic Deformation
Thomas. Waitz ¹ ; ¹University of Vienna, Faculty of Physics, Physics of Nanostructured Materials, Vienna, Austria;
Paper Id: 235 [Abstract]

Bulk ultrafine-grained, nanocrystalline, and even amorphous materials can be processed using methods of severe plastic deformation (SPD). [1,2] The small grain size as well as the high density of defects can significantly impact the phase stability and thus the physical properties of various materials. Control of phase stability by methods of SPD is of special interest in the case of functional materials such as shape memory alloys. [3] Their unique thermomechanical properties are based on a martensitic phase transformation that can be strongly affected by lattice defects, chemical disordering, and a grain size at the nanoscale. In the present work, examples of SPD processed shape memory alloys include Ni-Ti, low-hysteresis Ti-Ni-Pd, high temperature Ti-Pd and Ti-Pt, as well as ferromagnetic Ni-Mn-Ga. Their phase stability and the martensitic morphology in the small grains were systematically investigated using methods of transmission electron microscopy, differential scanning calorimetry, and X-ray diffraction, including in-situ heating, cooling, and straining experiments carried out in the synchrotron. With decreasing grain size, the martensitic transformation is hindered and metastable adaptive martensitic phases might occur. However, the thermally and stress induced transformations might be suppressed completely in grains smaller than a corresponding critical value. Considering a size dependent energy barrier opposing the transformation and the mechanisms of self-triggered autocatalytic interactions of the transformation in neighbouring grains, the results were modelled using the general thermodynamic framework of martensite formation. [4]

[SISAMPoster3] Magnetic Materials - Physics and Future Aspects
Roland. Groessinger ¹ ; ¹Vienna University of Technology, Faculty of Physics, Wien, Austria;
Paper Id: 274 [Abstract]

All magnetically ordered materials exhibit a quantum-mechanic mediated exchange between the electron spins of neighbouring atoms: this means that the electronic structure plays the dominant role. In the case of metallic systems, most important are the 3d-metals and alloys, where the band structure of the 3d-electrons and the position of the Fermi level with respect to the spin-up and down electrons determine the state and magnitude of magnetic ordering. This phenomenon is also responsible for the large magnetic moment in metallic 3d-systems (about 2.2 μB) [1]. Due to the strong direct exchange between the 3d-electrons, most of these metals or alloys exhibit a magnetic ordering temperature above room temperature, which makes them invaluably important for modern techniques. For practical applications, extrinsic properties such as the microstructure essentially determines the magnetic behaviour, especially the shape of the hysteresis loop, and consequently the losses. Examples here are Fe-Si alloys (transformers, generators etc) or new systems such as amorphous and nanocrystalline alloys. In nanocrystalline alloys, where the exchange coupling acts over the grain boundaries, this way reducing the anisotropy and consequently the coercivity [2]. The other important group of magnetic elements are the rare earths (La,...Gd,...Lu). There, the effect of the crystal electrical field on the 4f levels and the coupling between the 4f moments (orbital moment L) on the crystallographic axis, causes high magnetocrystalline anisotropies and/or high values of magnetostriction [3]. Therefore, nowadays, alloys between 4f-elements and 3d-elements are used for providing not only high-quality permanent magnets (such as Sm-Co or Nd-Fe-B) but also high- magnetostrictive systems (such as (Tb,Dy)-Fe). Within this presentation, the fundamental aspects of magnetism — which limits also the achievable magnetization density — are summarised and discussed. Some aspects of the future development in different magnetic materials will also be discussed.

[SISAMPoster4] Grain Boundaries in Severely Deformed Materials: Structure, Properties, and Thermal Evolution
Sergiy. Divinski ¹ ; ¹Institute of Materials Physics, University of Muenster, Münster, Germany;
Paper Id: 286 [Abstract]

The presentation is focused on structure-property relationship for interfaces in severe plastically deformed (SPD) materials. The results are systematized for different types of SPD treatment, imposed strain, and induced defects, and the deformation parameters used (temperature, total strain and strain rate). The kinetic properties of interfaces in a broad spectrum of severe plastically deformed materials ranging pure metals to alloys, including the high-entropy alloys, are measured. A multi-level hierarchy of short-circuit diffusion paths is shown to be formed in ultrafine grained materials produced by SPD Treatment [1,2]. The key properties of deformation-modified grain boundaries, such as interface width, diffusion rate, free volume excess, are measured and analyzed in detail. A model of the deformation-modified grain boundary state is presented.

[SISAMPoster5] Using High-pressure Torsion to Consolidate Magnesium Matrix Composites
Roberto. Figueiredo ¹ ; Pedro Henrique. Pereira ¹ ; Moara. Castro ¹ ; Augusta. Isaac Neta ¹ ; Terence G.. Langdon ² ; ¹Universidade Federal de Minas Gerais, Belo Horizonte, Brazil; ²University of Southampton, Southampton, United Kingdom;
Paper Id: 317 [Abstract]

The high compressive stresses imposed by high pressure torsion allows plastic deformation of machine chips and metallic particles until close contact is reached. The severe torsion straining provides the condition for "self-welding" of these particles, creating a continuous metallic matrix. This technique has been used to produce aluminum matrix composites [1, 2] and has also been used to consolidate magnesium particles [3]. Processing magnesium by high pressure torsion is especially interesting since it has been shown that it leads to exceptional ductility [4]. The present work describes the use of high-pressure torsion to consolidate magnesium with reinforcement phases into metal matrix composites. The microstructure of the composite was evaluated by scanning electron microscopy and the mechanical strength was estimated by microhardness testing. It is shown that a dense microstructure is attained after several turns of torsion, and the hardness of the processed composite is higher than the pure metal base. The present work shows that it is possible to improve magnesium strength by introducing hard phases during high pressure torsion consolidation of particles.

[SISAMPoster6] Overview of Magnetic Nanoparticle Systems
Marcelo. Knobel ¹ ; ¹University of Campinas (UNICAMP), Campinas, Brazil;
Paper Id: 343 [Abstract]

Studies of magnetic nanoparticle systems have attracted much interest in the past few years, owing to their fundamental interest and technological applications [1]. In particular, the correlation of parameters such as size, morphology, crystalline structure, and shape of the particles with the resulting magnetic properties has been thoroughly investigated, but many questions remain to be answered. Besides the effect of grain size distribution— which strongly affects the magnetic response of the system— there are important factors that need to be controlled, such as the surface of the particles (both roughness and composition gradient), the shape, and the phases formed within the nanograins. Another crucial point is the role played by magnetic interactions among the magnetic entities. This subject has been extensively studied from both experimental and theoretical approaches, but even now it is not clear how the dipole-dipole interactions can affect the macroscopic magnetic response of the system. Many different, often conflicting models have been applied to explain the experimental data on interacting magnetic nanoparticle systems. Consequently, there has been a considerable discussion about the existence of significant collective effects in magnetic nanoparticle systems, and several speculations regarding a spin-glass-like phase at low temperatures on dipole-dipole interacting systems. With the inclusion of dipolar interactions the problem becomes complex, and it is usually solved by means of some approximation. One of the most used methods to investigate the role of interactions has been Monte Carlo simulations. In addition, novel phenomenological approaches have proposed analytical models that explicitly take into account the correlation arising from the dipolar interactions on nearly superparamagnetic systems. As a matter of fact, the lack of close-to-ideal samples (with controlled grain size, shape, etc.) hindered more systematic experimental studies. In turn, the absence of perfectly reliable experimental data did not allow a consistent comparison with theoretical models and/or computer simulations. A brief review on the existing models will be given, and new experimental results on sets of sputtered and chemically grown nanocrystalline samples will be shown. Systematic studies as a function of grain size, distance among magnetic entities will be analysed through the different theoretical models, demonstrating the great importance of dipolar interactions on the magnetic properties of granular systems.

[SISAMPoster7] The Controlled Mechanical Property of Collagen Hydrogel for Bone Tissue Engineering
Chun-ho. Kim ¹ ; Gilson. Khang ² ; Kwang Seok. Kim ¹ ; Sang Jun. Park ¹ ; Wheemoon. Cho ¹ ; ¹KIRAMS, Seoul, South Korea; ²Chonbuk National University, Jeonju-si, South Korea;
Paper Id: 413 [Abstract]

Collagen hydrogels have been expansively used to mimic the extracellular matrix for three dimensional (3-D) tissue engineering applications because of their excellent biocompatibility and biodegradability. But the poor mechanical properties of collagen hydrogel causes substantial shrinkage during 3-D cell culture [1,2]. In this study, we fabricated a collagen hydrogel reinforced with lyophilized polysaccharide nanofibers (Col/NFs) to reduce the shrinkage of collagen hydrogels. The viscoelastic properties of Col/NFs were measured by using a rheometer. Viability and proliferation of human mesenchymal stromal cells (hMSCs) cultured in the hydrogel, were evaluated using Live and Dead assay, and MTT assay, respectively. Shrinkage rates of Col/NFs hydrogel after hMSCs culture were measured for 15 days. The viscose and elastic modulus of Col/NFs hydrogels were increased with increase of NFs concentration. The proliferation of hMSCs in of Col/NFs hydrogel was slower than that of collagen hydrogel. The viability of hMSCs in both hydrogels was more than 95%. Shrinkage of Col/NFs hydrogel during hMSCs culture were significantly reduced by used NFs. Further, osteogenic differentiation of hMSCs was confirmed using von kossa staining. In conclusion, shrinkage controlled Col/NFs hydrogels can be used bone tissue engineering.

SESSION:AdvancedMaterialsPoster	4th Intl. Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development
	Room: Foyer
Poster Session	4-7 Nov, 2018

[AdvancedMaterialsPoster1] Synthesis, Molecular Docking, and Antimycotic Evaluation of Some 3-Acyl Imidazo[1,2-a]pyrimidines
Omar. Gómez ¹ ; Dulce. Andrade ¹ ; ¹IPN, Ciudad de México, Mexico;
Paper Id: 24 [Abstract]

A series of new drugs derived from 3-acyl imidazo[1,2-a]pyrimidines, obtained from Nheteroarylformamidines in good yields, was tested in silico and in vitro for binding and inhibition of seven Candida species [Candida albicans (ATCC 10231), Candida dubliniensis (CD36), Candida glabrata (CBS138), Candida guilliermondii (ATCC 6260), Candida kefyr, Candida krusei (ATCC 6358) and Candida. tropicalis (MYA-3404)] as well as on six cancer cell lines U251 (human glioblastoma), PC-3 (human prostatic adenocarcinoma), K-562 (human chronic myelogenous leukemia), HCT-15 (human colorectal adenocarcinoma), MCF-7 (human mammary adenocarcinoma), and SKLU-1 (human lung adenocarcinoma), and FGH (human gingival fibroblast). Each compound was docked in the active site of the lanosterol 14a-demethylase enzyme (CYP51) essential for fungal growth of each Candida species, thus predicting its binding mode and energy. Additionally, we carried out the docking molecule on the active site of Topoisomerase I enzyme. Antimycotic activity was evaluated as the 50% minimum inhibitory concentration (MIC50) for the test compounds and two reference drugs, ketoconazole and fluconazole. All test compounds had better binding energy (range: -6.11 to -9.43 kcal/mol) than that found for the reference drugs (range: 48.93 to -6.16 kcal/mol). In general, the test compounds showed greater inhibitory activity of yeast growth than the reference drugs. Some compounds were most active, indicating an important role for the different ectron-withdrawing substituents in biological activity. On the other hand, all compounds show IC50 better than observed for the reference drug topotecan. These findings suggest that the 3-benzoyl imidazo[1,2-a]pyrimidine derivatives, herein synthesized by a sustainable and accessible methodology, are potential antifungal and anticancer drugs.

[AdvancedMaterialsPoster2] Dry Sorbent Circulating Reactor System for Removing Acid Gas Pollutant Emissions from Power and Incineration Utilities
Young Ok. Park ¹ ; Jae Won. Han ² ; Naim. Hasolli ² ; Seong Min. Cheon ¹ ; Kang San. Lee ¹ ; Jea Rang. Lee ¹ ; Kwan Deuk. Kim ¹ ; ¹Korea Institute of Energy Research, Daejeon, South Korea; ²SN Co., Ltd., Ansan, South Korea;
Paper Id: 83 [Abstract]

Dry type acid gas pollutants removal processes offer the significant advantages of low capital and operating costs when compared to wet type acid gas removal processes. They hold great potential for the reduction of SO2 and HCl emissions from power and incineration utilities that use high-sulfur coal and high halide base acids wastes. One of the project's major goals was the development of dry, calcium-based sorption processes for removing sulfur dioxide and hydrogen chloride from the combustion gases and incineration gases produced by high-sulfur coal and high halide base acids wastes. Dry sorbent circulating reactor system for flue gas cleaning highlights a number of experimental research findings that have had a significant and lasting impact in terms of scientific understanding. For example, the experimental investigation in demonstration test unit SO2 and HCl capture by dry sorbent obtained a removal efficiency of more than 99%, thereby revealing the well fluid mixing with sorbent and flue gas and longer residence time in the reactor. We also identified a number of important areas for future research, including reaction mechanisms, sorbent material, transport effects, simulation of particle fluid dynamics and efficient system development. Dry sorbent circulating reactor system includes the sorbent storage silo, precision feeding and injection units, main reactor, bag filter, recycle unit, induced draft fan and control unit. Dry sorbent circulating reactor system for flue gas cleaning will appeal to chemical and environmental engineers who examine different ways to use coal and waste in a more environmentally benign manner. It will make an essential reference for air pollution control researchers from coal, lime, cement, and utility industries.

[AdvancedMaterialsPoster3] Biodegradable Polymers and Biodegradable Polymer Nanocomposites
Francesco Paolo. La Mantia ¹ ; Luigi. Botta ² ; Marco. Morreale ³ ; Maria Chiara. Mistretta ² ; Manuela. Ceraulo ⁴ ; ¹DICAM - University of Palermo, Palermo, Italy; ²University of Palermo, palermo, Italy; ³University Kore, Enna, Italy; ⁴INSTM, palermo, Italy;
Paper Id: 105 [Abstract]

Development of biomaterials from renewable sources is gaining increasing interest and importance over the past decades, due to several reasons related to environmental protection, public health, and most importantly, new legislative requirements. This suggests and encourages the development and use of biodegradable polymers, especially in the field of packaging, where large amounts of plastics are used and contact with biodegradable items (such as for instance, food) is frequent [1]. Poly(lactic acid) (PLA) is absolutely one of the most important biodegradable polymers; Mater-Bi is also a biodegradable/compostable polymer that is receiving increasing commercial interest. Both can be considered as alternatives for traditional, petroleum-based polymers, and show interesting nontoxicity and biodegradation characteristics [2]. In addition to this, it is further of interest to take into account the possibility of using biodegradable polymers as matrices for bio-nanocomposites, since it is already known that nanocomposites can show improved mechanical, rheological, and barrier properties [3, 4] in comparison to the corresponding matrices. We investigated the behavior of different biodegradable polymers and different nanocomposites based on biodegradable polymers, in terms of processability, mechanical, and rheological properties. In particular, different processing techniques were adopted (injection molding, film blowing, fiber drawing) and comparison with petroleum-based counterparts was also taken into account.

[AdvancedMaterialsPoster4] Electroflotation Process Using DSA® Electrodes to Cyanobacteria Removal From Water Supply
Thyara Campos Martins. Nonato ¹ ; Tiago. Burgardt ² ; Alcione. Alves ³ ; Mauricio. Sens ² ; ¹, Florianópolis, Brazil; ²UFSC, Florianópolis, Brazil; ³UFFS, Cerro Largo, Brazil;
Paper Id: 153 [Abstract]

The occurrence of cyanobacteria in freshwater is a global problem, particularly when considering that these waters are used for human consumption as drinking water. Because cyanobacteria contains toxic substances that produce hepatoxins and neurotoxins, it can cause acute and chronic intoxication, which reaches the liver cells and the neuromuscular system, making it harmful to human health. Cyanobacteria cells are still difficult to remove in conventional treatment systems. For the removal of cyanobacteria in water sources used for public water supply, the electroflotation process is presented as a viable treatment alternative. Thus, this research had the objective of studying the removal of cyanobacteria from the water supply through the electroflotation process, using DSA®-type, dimensionally stable anodes composed of Ti / Ru0,3Ti0,7O2. The spring water from Peri Lagoon was used, which is located in the city of Florianópolis / SC, Brazil. In the pilot system, the effects of the operational variables of the electrochemical reactor, water input rate and electric current density, were studied. The performance of the electroflotation process was determined by the removal of cyanobacteria cells in the treated water. According to the results, there was approximately a 73% removal of cyanobacteria after 30 min of electrolysis, and approximately 78% after 60 min, for the water input rate of 100.84 m3m-2d-1 and electric current density of 68.26 A m-2. Under these conditions, the energy consumption was 1.28 kWh m-3. The electrochemical process also showed a removal of 60% and 49% of the apparent color and turbidity of the water, respectively. These results encourage the applicability of the electroflotation process as a pre-treatment alternative for the removal of cyanobacteria from the water supply.

[AdvancedMaterialsPoster5] Dehydriding Properties of Mg-Al Alloys Prepared by Hydriding Combustion Synthesis and Mechanical Milling
Liquan. Li ¹ ; Yunfeng. Zhu ¹ ; ¹Nanjing Tech University, Nanjing, China;
Paper Id: 214 [Abstract]

Faced with the energy crisis and environmental pollution, hydrogen has drawn more and more attention as a new, clean, and renewable energy source for sustainable development. Metal hydride is viewed as one of the most ideal hydrogen storage means [1]. With respect to the metal hydrides, magnesium hydride (MgH₂) is one of the most attractive candidates for reversible hydrogen storage. Nevertheless, its poor hydrogen sorption kinetics and unfavorable thermodynamic stability impede its commercial use [2]. Alloying of Al is a promising choice to lower the thermodynamic stability of MgH₂. It has been proven that the in-situ Al (denoted as Al*) generated in the hydriding of Mg-Al alloys is better than as-received Al in enhancing the hydrogen sorption performances of Mg, because this kind of Al* is oxide-free, possesses high chemical activity, and uniformly distributes in the samples [3]. Moreover, using Mg-Al alloys instead of Mg means that the hydrogen desorption reaction pathway of MgH₂ would alter and result in the destabilization of MgH₂. In this work, we intend to fabricate MgH₂-Al* composites with the hydrogenation of Mg-Al alloys by the process of hydriding combustion synthesis (HCS, which has been acknowledged as an effective way to fabricate Mg based hydrogen storage alloys [4]) following mechanical milling (MM) and to study the effect of Al* on the dehydriding properties of Mg-based hydrogen storage alloys. DSC analysis showed that the peak temperature of dehydriding of MgH₂ was reduced by 298 K and by 284 K when 20 at% Al was added in HCS process and in MM process, respectively. Isothermal dehydriding at 573 K for 3 h demonstrated that it took 81 min for the HCS+MM-MgH₂ to desorb 50% of hydrogen, while only 24 min was required for HCS+MM-MgH₂-20 at% Al, in which Al was added in HCS. The SEM/EDS measurements demonstrated that Al generated in situ from the hydriding of Al₁₂Mg₁₇ was uniformly distributed, which would make it more beneficial for Al to perform high thermal conductivity. The apparent activation energy for dehydriding of MgH₂ was reduced from 144.3 kJ/mol for the HCS+MM-MgH₂ to 118.8 kJ/mol for HCS+MM-MgH₂-10 at% Al when Al was added in HCS.

[AdvancedMaterialsPoster6] Ag₂WO₄ Polymorphs: Easily Synthetized and Highly Efficient for Antibiotics Degradation
Roman. Alvarez Roca ¹ ; Pablo. Santana ¹ ; Elson. Longo ² ; ¹CDMF/Dpto. Química, UFSCar, Sao Carlos, Brazil; ²CDMF/Dpto. Química, UFSCar, São Carlos, Brazil;
Paper Id: 253 [Abstract]

The transition metal tungstates is an inorganic oxides family are widely used in many applications such as environmental purification, clear fuel production, etc. [1,2] Among the metal tungstates, the Silver tungstate (Ag₂WO₄) is applied in various fields like photocatalysts, sensors, antibacterial agents, etc [2,3]. In this work, different Ag₂WO₄ polymorphs; alfa- (stable); and beta- and gamma- (metastables); were synthesized by a facile and low cost effective co-precipitation method. The synthesized materials were characterized by XRD, FT-IR spectroscopy, and SEM analysis. The XRD pattern reveals the formation of each Ag₂WO₄ structure. The FT-IR and Raman analysis confirms the presence of Ag-O and W-O bonds in Ag₂WO₄ crystals. The morphologies of the as-synthesized Ag₂WO₄ were analyzed by SEM. Other than that, to the best of our knowledge, the reports on the photocatalytic properties of all Ag₂WO₄ polymorphs are obtained rarely. Under UV-Vis irradiation, the photocatalytic action of each polymorph was tested for the degradation of amiloride and the photoactivity performances and degradation reactions were evaluated. Beta- Ag₂WO₄ showed the best photocatalytic activity among the three kinds of samples, 100 % degradation within 35 min. In particular, the metastable polymorphs exhibit the highest photocatalytic activity when compared to more stable polymorphs, due to more active surfaces. All polymorphs were a durable and stable photocatalyst during recycling experiments. The present work contributes to a deeper understanding of metastable photocatalysts with high photocatalytic activity, in order to address future demands on environmental remediation.

[AdvancedMaterialsPoster7] Dehalogenation of Organohalogen Compounds in Water by Using Raney Nickel Catalysts Prepared by Combustion Synthesis
Ryuichi. Tomoshige ¹ ; Masashi. Nishida ² ; ¹Sojo University, Kumamoto, Japan; ²Sojo university, Kumamoto, Japan;
Paper Id: 260 [Abstract]

Today, many harmful chemicals such as volatile halogenated organics and defatting cleaners are still being used. The former has been used for mechanical metal parts or dry cleaning detergents, and the latter has been for agrichemicals and pesticide or industrial materials.<br />Unfortunately, they are thought as origins of pollution in groundwater and soil. In addition, their usage is restricted, or at least reduced to a degree that no longer causes health disasters for humans, due to their harmful effects on hepatic function and cancer generation, according to guidelines on drinking water quality by the World Health Organization (WHO). The acceptable limit of halogenated organics in water is determined based on Japan's laws on the environmental quality standards of wastewater. Since toxicity of halogenated organics can be reduced by dehalogenation of the substituent, dehalogenation that utilizes the chemical or biological process must be effective in eliminating toxicity. For example, in the biological process, dehalogenation by a few kinds of fungus has been reported. On the other hand, it was known that the chemical process is more effective on the dehalogenation reaction than the biological one on the decomposition rate of industrial wastewater dehalogenation. Furthermore, the chemical process has effects that can be utilized even under environments that would be inadequate for the biological process, i.e. under high halogen concentration. <br />In material science fields, many kinds of processes have been developed to make porous materials. Combustion synthesis has been known as one of the processes, which is an exothermic reaction for preparing intermetallic compounds and ceramics with very high temperatures. One of the characteristics of combustion synthesis is self-propagating reaction, which occurs by heating an end of a compact consisting of raw material metal and/or nonmetallic powders, and the other is to utilize the residual heat with sintering effect after completion of the combustion synthesis. One of the authors has produced various alloy and composites by using combustion synthesis [1-3].<br />In this paper, Raney catalysts obtained from NiAl intermetallic compounds prepared by combustion synthesis have been provided to evaluate a performance as purification treatment for industrial wastewater. It is reported concretely that dehalogenation reaction in the case of using 2,4,6-trichlorophenol (TCPh) of 50 ppm was investigated by column method using the NiAl alloy.<br />As a result, from the relationship between the flowing volume of TCPh solution and TCPh concentration, it was found that the TCPh concentration was reduced to a value lower than the quantification limit (<0.1 ppm) of high performance liquid chromatography (HPLC), when the flowing volume was up to 200 mL. Correspondingly, Ph was generated, and dichlorophenol (DCPh) and chlorophenol (CPh), which have been predicted as intermediate products, were not observed. As a result, the dehalogenation amount of TCPh per 1 g of catalyst was found to be 174 mg / g (0.881 mmol / g). The industrial wastewater standard value of TCPh is considered to be 0.3 ppm in Japan. Also, the flow rate of this experiment was 0.1 mL / min (S.V. = 87.0 in terms of space velocity), which was a industrially high processing speed. Therefore, it is considered that the Raney nickel catalyst can be fully applied to industrial wastewater.

[AdvancedMaterialsPoster8] Magnetoplasmonic Nanoheterodimers for Synergistic Enhancement of Cancer Therapy
Carola. Kryschi ¹ ; Stefanie. Klein ² ; ¹Friedrich-Alexander University Erlangen, Erlangen, Germany; ²Friedrich-Alexander University od Erlangen, Erlangen, Germany;
Paper Id: 263 [Abstract]

Our primary research objective is to design magnetically targeting magnetoplasmonic nanoheterodimers as multimodal nanotherapeutics for synergistic cancer therapy. Therefore, superparamagnetic iron oxide nanoparticles (SPIONs) were merged with gold nanospheres, nanoclusters, or nanopatches, either through a thermal decomposition procedure or via a facile coprecipitation synthesis. SPIONs with sizes around 20 nm were shown to feature superparamagnetism as well as perform an enormous capacity as X-ray dosage enhancer when internalized by tumor cells [1,2]. The Au-SPION nanoheterodimers combine high-Z material with catalytically active Fe₃O₄ surfaces and moreover, plasmonic properties with superparamagnetic performance [3]. The X-ray enhancing effect was demonstrated to be increased by endowing the Au and Fe₃O₄ surfaces with charged and distinctly, specifically acting chemical moieties as being for instance, nitrosyl tetrafluoroborate and S-nitroso glutathione. We could substantiate synergistic interactions between X-ray exposed Au and SPION surfaces, which were manifest by the simultaneous production of the nitric oxide radical at the SPION surface and the superoxide radical at the Au surface. The surface-confined reaction between these radicals generated peroxynitrite. This highly reactive species may cause nitration of mitochondrial proteins, lipid peroxidation, and induces DNA strand breaks. Therefore, high concentrations of peroxynitrite are expected to give rise to severe cellular energetic derangements and thereupon, entail rapid cell death.

[AdvancedMaterialsPoster9] Colloid-based Drug Delivery Systems
Maria A. G.. Soler ¹ ; ¹Universidade de Brasilia, Brasilia, Brazil;
Paper Id: 272 [Abstract]

Drug delivery systems (DDS) based on colloidal structures have become an emerging field of interest in the past few decades, owing to their outstanding ability in transporting and delivering drugs, protecting the drug against degradation, and preventing adverse side effects of toxic drugs. Further, these colloid-based DDS can provide contrast agents for early diagnoses, delay the release of their content, and improve therapeutic efficiency of drugs and photosensitizers by enhancing their availability in physiological mediums or by delivering them to specific targets [1,2]. This talk will summarize new achievements in the field of colloid-based DDS. In particular, we will present our recent results on the production of iron oxide-based drug delivery systems. More specifically, the talk will focus on production and structural features of iron oxide nanoparticles [3] functionalized with chondroitin sulphate, and glucosamine hydrochloride. Chondroitin sulphate and glucosamine hydrochloride are recognized for their therapeutic action against osteoarthritis. To produce colloidal dispersions at optimized conditions, and investigate the drug incorporation models, UV-vis, Raman, fluorescence, and infrared spectroscopies, as well as dynamic light scattering, X-ray photoelectron spectra, transmission electron microscopy, and magnetic measurements, were performed. Further, the colloidal stability of the dispersions was studied in phsyiological media, as well its cytotoxicity effects via the MTT assay. Colloidal suspensions comprising chondroitin or glucosamine coating magnetite nanoparticles presented good stability and no toxicity, and are thus promising nanocarriers for site specific delivery of chondroitin sulfate and/or glucosamine.

[AdvancedMaterialsPoster10] Magnetic Hardening of Fe-Pt and Fe-Pt- M (M=B, Si) Microwires
Valentina. Zhukoa ¹ ; Mihail. Ipatov ¹ ; Alexandr. Aronin ² ; Galina. Abrosimova ² ; Arcady. Zhukov ¹ ; ¹Dept. Phys. Mater., UPV/EHU, San Sebastian, Spain; ²Institute of Solid State Physics, Russian Academy of Science, Chernogolovka, Russian Federation;
Paper Id: 329 [Abstract]

Rapid quenching from melt has been successfully used during more than 60 years for quick preparation of amorphous, nanocrystalline, or metastable crystalline materials with planar (ribbons) or cylindrical (wires) geometry. Most attention has been paid to preparation and studies of amorphous and nanocrystalline rapidly quenched materials exhibiting soft magnetic properties [1]. However, if the quenching rate achieved during the rapidly quenching process is not sufficiently high or if the phase diagram of the alloy is not appropriate for preparation of amorphous materials, a metastable crystalline material (i.e. supersaturated solid solutions, nanocrystalline, microcrystalline or granular alloys) can be prepared [1]. It is worth mentioning that even crystalline magnetic wires present a number of interesting and unusual magnetic properties suitable for various applications: propagation of single domain wall along the magnetic wire and giant magnetoimpedance effect (GMI) [1]. In fact, rapid solidification and subsequent processing is a well-established route to the formation of hard magnets[1]. Additionally, glass-coating can enhance mechanical properties of magnetic microwires. Therefore, few attempts have been made to enhance the coercivity on glass-coated microwires [1]. The principal limitation for the preparation of hard magnetic glass-coated microwires containing rare-earth metals using the Taylor-Ulitovsky method is related to the chemical interaction with the glass during the rapid quenching from the melt. This is the limiting factor for rare-earth containing materials. Therefore, recently we paid attention to FePt alloys for magnetic microwires preparation [2]. FePt magnetically hard alloys have attracted great attention because of their excellent magnetic and mechanical properties [2]. Thus, Fe-Pt alloys are quite ductile and chemically inert. Elevated coercivity of FePt alloys is usually attributed to high magnetocrystalline anisotropy of the L10 FePt phase. Moreover, FePt alloys usually present relatively high Curie temperature (T_c = 750 K) and spontaneous magnetization of about 1.43 T. Consequently we have prepared Fe-Pt and Fe-Pt- M (M=B, Si) microwires using Taylor-Ulitovsky technique and studied their magnetic properties. Magnetic properties depend considerably on the metallic core composition and annealing conditions. As-prepared microwires present either amorphous or mixture of amorphous and nanocrystalline phases with a presence of BCC FePt, FCC PtFe and small amount of tetragonal FePt phase. After annealing at 500 ^oC Fe₅₀Pt₄₀Si₁₀ microwires we observed a remarkable magnetic hardening related to crystallization of as-prepared amorphous Fe₅₀Pt₄₀Si₁₀ microwires. Coercivity increasing from 5 Oe up to 500 Oe is attributed to the crystallization of amorphous Fe₅₀Pt₄₀Si₁₀ microwires. Annealed Fe₅₀Pt₅₀sample present coercivity up to 800 Oe at 5K, but the magnetization of FePt is low and rapidly decreases with temperature. We discussed peculiarity of Fe₅₀Pt₅₀ microwires considering the influence of internal stresses on magnetic ordering of Fe-atoms.

[AdvancedMaterialsPoster11] Effect of Temperature and Cyclohexylamine as Inhibitor for Deactivation of Modified Catalyst in the Downstream of the Ethylene Dimerization Process
Reza. Azizmohamadi ¹ ; Seyed Hamed. Mahdaviani ² ; Davood. Soudbar ³ ; ¹Process Engineer, RFCC Unit, Shazand Oil Refinery Company, Arak, Iran; ²Senior Catalyst Researcher, R&D Center, Arak Petrochemical Company (ARPC), Arak, Iran; ³Head of Catalysis and Polymer Research Group, R&D Center, Arak Petrochemical Company (ARPC), Arak, Iran;
Paper Id: 346 [Abstract]

In the ethylene dimerization process, the reactor effluent contains a homogenous Ti-based catalyst system that is contacted with an amine-type inhibitor to deactivate the catalyst. For the improved catalysts with high activity and selectivity, the kind of amine and its amount have great importance to completely deactivate it in the previously mentioned stream and hence prevent the polymerization reaction and fouling formation in the downstream heat exchangers of the process. In the present study through simulation of the effluent conditions of the industrial 1-butene reactor in a 1-L laboratory reactor of BA�chi type, the effects of temperature and molar ratio of cyclohexylamine (CHA) as the catalyst deactivator to modified catalyst on weight of polymer (WPE (mg)) and weight percentage of oligomer (OL (wt. %)) were investigated. The results showed that the increase of temperature from 86 A�C to 98 A�C resulted in the remarkable increase of WPE and slight increase of OL (wt. %). For the [CHA/modified catalyst] molar ratio, the optimum value to achieve both minimum WPE and OL (wt. %) was 1. Increasing this molar ratio to 1.5 led to a noticeable increase of WPE. A further increase of the [CHA/modified catalyst] molar ratio resulted in the decrease of WPE. However, with increase of this molar ratio from 1 to 3, OL (wt. %) was continuously increased. In addition, we performed the studies using 1H-NMR spectrum for better understanding of the steric coordinative interaction of CHA over the titanium center of the catalytic system.

[AdvancedMaterialsPoster12] Growth of Different Cocrystal Conformation by Vapor Deposition
Georgii. Bogdanov ¹ ; Tatiana. Timofeeva ¹ ; ¹New Mexico Highlands University, Las Vegas, United States;
Paper Id: 416 [Abstract]

Organic electronics and optoelectronics have recently drawn significant attention because they are easy to manufacture, light weight by nature, structurally flexible and possess many other desirable properties which are difficult to achieve using inorganic electronic materials. In recent years much attention was paid to materials built of two or more components. Our group is focused on creation of two-component organic or organic-inorganic crystals with the potential application as semiconductors and light emitting diodes.
There are several ways to obtain crystals of such materials. The most popular way is to grow them from solution. Some years ago, growth of organic compounds from vapor phase started to be used [1,2]. Recently our group worked together with crystallography group from Nanyang Technological University and by using different methods, growth from solution and from vapor phase we were able to obtain different polymorph structures of the same cocrystal tetracene-TCNQ [3]. Growth from vapor phase allows us to grow crystals with much higher purity and larger size.
At present we are optimizing conditions for our setup for organic crystal growth by vapor deposition. The main distinguishing feature of this setup is that we have precise control of each step of the process and we can change parameters to procure the most favorable conditions for crystal growth.
Results of X-Ray diffraction studies of potential charge transfer two component materials obtained by growing from vapor phase and from solution such as OBNc - F6TNAP, AP-tetraene-TCF will be presented. It was found that by performing process of growth from vapor phase we can obtain several different polymorph structures of one compound.

[AdvancedMaterialsPoster13] Oxytree as a Business Idea
Barbara. Moniuszko Szajwaj ¹ ; Małgorzata. Szumacher Strabel ² ; Adam. Cieslak ² ; Anna. Stochmal ³ ; ¹Institute of Soil Science and Plant Cultivation - State Research Institute, Puławy, Poland; ²Poznan University of Life Sciences, Poznan, Poland; ³Institute of Soil Science and Plant Cultivation - State Research Institute, Pulawy, Poland;
Paper Id: 444 [Abstract]

Oxytree has achieved many indicators of success, and is a great business idea because it ensures tangible financial results over many years. Being unrivaled and highly profitable, it is a predictable and measurable business concept. In view of the global problems, more and more are being said about the Green Gold potential, an ecological agriculture business. It is of great interest to different plants on different continents, because Ecology + Business + Investment generates long term and substantial profits. Oxytree is beneficial to: the plantation, because it regenerates quickly; the environment, because it removes CO₂ from the air; the farmer, because it is a source of alternative income; the entrepreneur, as an innovative business idea; and the investor, due to it being an inexpensive fixed asset with a high return on investment.

SESSION:CompositePoster	6th Intl. Symp. on Composite, Ceramic and Nano Materials Processing, Characterization and Applications
	Room: Foyer
Poster Session	4-7 Nov, 2018

[CompositePoster1] Thermodynamic Analysis of the Interaction of Carbon with TiO2ZrO2
Ketevan. Ukleba ¹ ; Jondo. Bagdavadze ² ;⁰ ; ¹, Tbilisi, Georgia; ²Ferdinand Tavadze Institute of Metallurgy and Materials Science, Tbilisi, Georgia;
Paper Id: 76 [Abstract]

At this stage of industry development, composite nanostructure materials are widely used. Among them, materials containing carbides and borides of metals TiB₂ / TiC and ZrB₂ / ZrC are especially notable.<br />In this presented work, the task is to perform a complete thermodynamics analysis — FTA (Full thermodynamics analysis) [1] on the process of receiving carbides and boride of the titanium and zirconium (Ti-B-O-C, Zr-B-O-C), and on the basis of this analysis of experimental studies of nano-structured composite materials.<br />The innovation of the work is studying the physical and chemical bases of high-temperature processes of receiving carbides and borides of the specified systems, that will give the chance of carrying out the minimum quantity of experiments. <br />FTA of the Ti-B-O-C system in vacuum for the following structures is carried out: 2TiO₂+B₂O₃+8C=TiB₂+TiC+7CO (1); 2ZrO₂+B₂O₃+8C=ZrB₂+ZrC+7СО (2).<br />On the basis of this analysis, experimental research is carried out on receiving composite materials TiB₂ / TiC and ZrB₂ / ZrC. X-ray diffraction patterns of the obtained powders indicate that in general, mixes TiB₂/TiC and ZrB₂/ZrC result.

[CompositePoster2] Application of Hybrid Zinc Coatings for Improved Corrosion Resistance
Nikolai. Boshkov ¹ ; Kamelia. Kamburova ¹ ; Neli. Boshkova ² ; Tsetska. Radeva ¹ ; ¹Institute of Physical Chemistry, Bulgarian Academy of Sciences, Sofia, Bulgaria; ²Institute of PhysicaL Chemistry, Bulgarian Academy of sciences, Sofia, Bulgaria;
Paper Id: 92 [Abstract]

Aiming at the realization of improved corrosion resistance against local corrosion damages, zinc hybrid coatings are obtained and characterized. They are electrodeposited on low carbon steel substrates, and contain embedded polymeric core-shell nanocontainers (NCs) with corrosion inhibitor benzotriazole (BTA). Rod-like hematite cores are coated by alternate adsorption of poly(diallyldimethylammonium chloride) (PDADMAC) and poly(acrylic acid) (PAA) using layer-by-layer assembly technique. Benzotriazole is entrapped in NCs in an assembly step, and the NCs are incorporated into the metal coating matrix via electrodeposition process [1-3]. The protective characteristics of the hybrid coatings in a model medium of 5% NaCl solution are analyzed by means of potentiodynamic polarization curves (PDP), polarization resistance (Rp) measurements, and electrochemical impedance spectroscopy (EIS) for definite periods of time. XPS method is applied to type the newly appeared products after corrosion treatment, and XRD investigations present the structural peculiarities of the hybrid coatings. The latter demonstrate enhanced corrosion resistance in neutral corrosion medium compared to ordinary zinc coatings.

[CompositePoster3] Investigation of Ceramic Shell Molds by Using a Thermal Imaging Camera
Ryszard. Sitek ¹ ; Jaroslaw. Mizera ² ; ¹Faculty of Materials Science and Engineering, Warsaw University of Technology, WARSAW, Poland; ²Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw, Poland;
Paper Id: 131 [Abstract]

The work presents the results of studies on the manufacture of multilayered ceramic shell molds the drying processes, including the selection of the proper slurries. The molds are intended for precision casting, especially in the aircraft industry [1-2]. The investigations included the selection of the optimum technological parameters of the casting slurries suitable for the first (inner) and structural layers of the mold, so that the entire surfaces of the wax mold models were covered uniformly with the successive layers (the first layer and seven structural layers) of specified thickness and porosity. The porosity of the layer was investigated by using computed X-ray tomography. By using a profilometer, surface roughness of the wax models and first ceramics layers were examined. Based on the conducted tests, it was found that the use of a thermal imaging camera enables precise determination of the drying time of the layers of ceramic shell molds.

[CompositePoster4] Investigation of the Surface Structure Defects in Ceramic Shell Molds Using a Thermo-visual Camera
Jaroslaw. Mizera ¹ ; Pawel. Wisniewski ² ; Ryszard. Sitek ² ; Krzysztof. Zaba ³ ; ¹Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw, Poland; ²Faculty of Materials Science and Engineering, Warsaw University of Technology, WARSAW, Poland; ³AGH University of Science and Technology, Kraków, Poland;
Paper Id: 133 [Abstract]

Precision investment casting is one of the longest known superalloys forming techniques. Nowadays, it is primarily used to manufacture precision castings with high surface quality. It is widely utilized in the aircraft industry for jet engines turbine blades production. Fabrication of multilayer ceramic casting mold is a complicated and time consuming process, which is also burdened with high risk of failure due to the their cracking during wax pattern melting process [1,2]. This work presents studies concerning applicability of a thermo-visual camera in ceramic shells molds cooling process. Moreover, ceramic materials and slurries have been investigated. There were slurries prepared for near-model (first layer) and construction layers of a shell mold. Using the pre-prepared slurries, the ceramic near-model (first layer) and construction layers were made on a wax pattern. Cooling was tested with the thermo-visual camera in the 300Ai-40Ai°C temperature range.

[CompositePoster5] Modern Composite Ceramic Binders in Investment Casting Technologies
Rafal. Cygan ¹ ; ¹Rzeszow University of Technology, Rzeszow, Poland;
Paper Id: 206 [Abstract]

This article presents research results on modern ceramic materials used for the manufacturing of critical elements in aircraft engine hot zones, by using investment casting technology. Investment casting using multi-layered ceramic moulds is commonly used in the production of aircraft components. This technology allows precise reproduction of geometrically complex spatial shapes. The quality requirements that the final product must meet, which are extremely and increasingly rigorous, necessitate a permanent solution for technologically complex problems related to castings defects that are dependent on the ceramic mould's technological quality. Prevention of casting defects is accomplished by optimizing the parameters of the metallurgical process, and by improving structural and technological construction of the mould. On the other hand, to limit the defects coming from the mould's technological quality, one should correctly select technical and auxiliary materials for constructing self-supporting ceramic moulds and the parameters of the manufacturing process.

[CompositePoster6] Comparative Analysis on Monolithic DeNOx Catalysts
Giovanni. Perillo ¹ ; ¹Wessex Institute of Technology, Southampton, United Kingdom;
Paper Id: 292 [Abstract]

Catalysts based on the Vanadia-Titania system are widely used for the abatement of pollutants, particularly nitrogen oxides (NOx) in the exhaust gases of industrial plants. Their mechanism of operation is based on the catalytic reduction reaction of nitrogen oxides with ammonia (SCR). In this paper, two commercial catalysts based on the V-W-Ti system of very similar nominal compositions were compared. The two samples were analyzed in the fresh state and after a period of operation in a waste-gas plant of a waste-to-energy plant. The materials were first characterized from the chemical-structural point of view through instrumental techniques such as X-ray fluorescence (XRF), X-ray diffractometry (XRD), IR spectroscopy (FT-IR), SEM scanning electron microscopy observations with analysis EDS, measurement of pore size and specific surface area through nitrogen adsorption / desorption and BET technique. Subsequently, the catalytic properties of the new and used catalysts in the NH3-SCR reaction were evaluated. The results of the analyzes showed that the samples are both made of a titanium matrix in the form of anatase, reinforced with glass fibers, used as a support for the active phases based on V and W. The percentages of vanadium are practically the same for both systems, while the tungsten percentage is very different. The specific surface also has very similar values for the two fresh catalysts. The tests of catalytic activity, on the other hand, have given very different results; in particular, the performance of one of the two catalysts decays much faster than the other. The kinetic measurements show that the decay is not due to a specific surface decrease, due to the presence of precipitates, but due to a difference in initial activity between the two catalysts, linked to the different tungsten content.

SESSION:EnergyPoster	5th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation
	Room: Foyer
Poster Session	4-7 Nov, 2018

[EnergyPoster1] Estimation of the Contents of Trace Elements in Shales in Connection with the Problems of Shale Development
Svetlana. Punanova ¹ ; ¹Oil and Gas Research Institute of the Russian Academy of Sciences, Moscow, Russian Federation;
Paper Id: 16 [Abstract]

Priority directions of horizontal drilling in shale formations in the USA (Bakken, Barnett, Monterey, etc.) are considered. Growth and further development of this type of drilling in the territory of shale plays of the USA and other countries, as well as productive horizons of the Western Siberia, was noted. With a fairly detailed coverage in the domestic and foreign literature of all the pros and cons of shale horizontal drilling projects, and in particular the negative environmental consequences of hydraulic fracturing, the problem associated with the high content of metals and nonmetals in shales and oils is practically not considered. A significant number of them belong to the category of potentially toxic trace elements, dangerous for the habitat. The report presents the average trace elements content in the combustible and black shale from various basins of the world, the concentrations of a number of elements markedly exceeding in shale the clark content of clay rocks. High concentrations of a number of elements in the Kenderlik shale of the Republic of Kazakhstan, domanic deposits of the Volga-Ural oil and gas basin are shown, as well as some features of the distribution of radioactive elements and mercury in oils and shales. The release of toxic elements significantly increases with the thermal impact on the formation and some processes of hydrocarbon processing. In the case of hydraulic fracturing, it is possible that toxic elements from both shales and from the naphthides contained in them could be discharged to the environment. In the course of horizontal drilling, as with any other processes of impact on the reservoir, additional studies should be conducted to assess trace element composition of the shale formations and the hydrocarbons contained therein for monitoring environmental processes.

SESSION:EnvironmentalPoster	7th Intl. Symp. on Environmental, Policy, Management , Health, Economic , Financial, Social Issues Related to Technology and Scientific Innovation
	Room: Foyer
Poster Session	4-7 Nov, 2018

[EnvironmentalPoster1] The 1st Albanian Catalogue of Innovations for Human Development: An Example of Scientific and Social Valorisation of a Country by Participative Methodology
Davide. Rossi ¹ ; Renata. Uruci ¹ ; ¹Development Cooperation BAZH.I NGO, Maserada Sul Piave, Italy;
Paper Id: 138 [Abstract]

BAZH NGO identified the innovations for Human Development in Albania by preparing the 1ST Albanian Catalogue of Innovations for Human Development (ACIHD) in collaboration with UNDP/IDEASS (innovation for development and south-south cooperation. ACIHD aims to improve the integrated territorial development processes by increasing the use of local innovations. ACIHD can be updated and enriched with other contributions in order to implement a permanent service for human development innovation. The main aim of ACIHD is to identify, illustrate, and transfer the innovations to Albanian territorial development actors abroad, promoting their use with technical assistance activities. ACIHD is an important tool to enhance Albanian development actors and their ideas. ACIHD is a novel instrument for creating a network for transferring the know-how on innovative technologies and methodologies to local actors interested in solutions to territorial problems. ACIHD was developed with the cooperation of 170 actors, establishing contacts and collaborations with Albanian National Institutions and Ministries, as well as Academic partnerships with Albanian University, research centres, and civil society associations for the systematisation of creative practices of local actors, bringing innovative solutions to common problems. In its original form, ACIHD involved 13 innovations successfully performed by Albanian authors in the fields of agriculture [1-6], breeding [7], local development [8-10], environmental technologies [11-12], and health care [13]. The identified innovations were elaborated scientifically in their final form with the support of BAZH International Scientific Consultant (ISC) by the participative methodology and collaborating with the Albanian Agency for Research & Technology Innovation centre that funded the Catalogue in its integrated form. ACIHD presents also the catalogue of sector studies (CSS) regarding the fields of agriculture [14-16] and green technology [17-18]. Other experiences are born in continuity with the Catalogue project to develop a smart networking system for monitoring and fostering research and innovation capacity in SMEs across Adriatic Region (AULEDA). The methodology developed in ACIHD for identifying, presenting, and valorising Albanian innovations was officially recognized as Best Practices by Feeding Knowledge (Sustainable management of natural resources in 2015.

[EnvironmentalPoster2] Electrolysis Purification of Quarry and Industrial Wastewater From Copper
Tsisana. Gagnidze ¹ ; Rusudan. Chagelishvili ¹ ; Zhiul. Kebadze ¹ ; ¹Ivane Javakhishvili Tbilisi State University, Rafael Agladze Institute of Inorganic Chemistry and Electrochemistry, Tbilisi, Georgia;
Paper Id: 307 [Abstract]

One of the promising ways of cleaning quarry and industrial waste water from copper ions is the electrolysis method, using electrodes with a highly developed reaction surface. We have studied the process of electrolytic copper extraction from dilute solutions (<1g/l) using cathodes made of carbon fibrous materials of a new generation. As a result of the experiments, materials with the best indices were chosen for the extraction of copper from poor sulfide solutions. An electrochemical reactor with different forms of cathode blocks made from carbonaceous materials was designed and constructed: (1) with a rotating cathode; (2) with flowing volume-porous cathode block; (3) with flowing volume-porous cathode block and with an internal mechanical stirrer. When using an electrolyzer with improved hydrodynamic regime and with a cathode block from carbonaceous fibrous material, high values of copper recovery were obtained (99-100%) from dilute solutions with a current output of 60-65%. It is established that the parameters of the copper recovery process are determined mainly from the type of carbonaceous material, the conditions of electrolysis, and the design of the electrolyzer. It was also taken into account that the nature of the carbonaceous material and the degree of its graphitization affect the overvoltages of hydrogen and oxygen release on the electrodes. It is shown that it is possible to effectively use carbonaceous fibrous materials for electrolytic copper recovery from industrial and quarry wastewater.

[EnvironmentalPoster3] Effect of Copper Concentrate and Various Minerals on Flash Furnace Dust Generation and Environmental Protection in Khatoon Abad Copper Smelter Plant
Hossein. Shahi Pirjel ¹ ; Mahmoud. Khodadadi ¹ ; Hossein. Mahmoodi ¹ ; Ali. Karimifar ¹ ;⁰ ; Ahmad. Karami ¹ ; Ali. Manoochehri ¹ ; Peyman. Jamali ¹ ; Ali. Manoochehri ¹ ; Ahmad. Karami ¹ ; Hassan. Mahmoudi ¹ ; Roohallah. Abbasi ¹ ; ¹NICICO, Shahrbabak, Iran;
Paper Id: 318 [Abstract]

One of the most common copper concentrate smelting furnaces is flash smelting furnace, which smelts over half of the world's copper concentrates. The copper concentrate air or oxygen enriched air, and auxiliary fuel oil are charged into this furnace. Due to pyrolysis of copper concentrate, and the reaction of decomposed products with oxygen intake, a large amount of released heat causes the melting of copper concentrate. The copper concentrate contains various minerals, and each of them has various reactions with atmospheric oxygen in the furnace. Thus, each mineral generates a certain amount of dust. One of problems in flash furnace is dust generation, as dust is an environmental pollutant. In order to fix or improve the problem, it is necessary to recognize the proper actions at the time of feeding; within 12 months, inlet concentrates were mineralogically and chemically analyzed, and the effect of concentrate minerals on air and fuel consumption as well as the dust generation were studied. Subsequently, the most appropriate mineral in the concentrate which generates the least dust in the Khatoon Abad Flash Furnace is obtained.

[EnvironmentalPoster4] The Tensiometric Approach at the Study of Biologic Tissues: Analysis of Skin Functionality by Contact Angle Method
Davide. Rossi ¹ ; Renata. Uruci ¹ ; Antonio. Bettero ² ; ¹Development Cooperation BAZH.I NGO, Maserada Sul Piave, Italy; ²C98-TVS Network srls, PD, Italy;
Paper Id: 420 [Abstract]

The skin is frequently exposed to environmental phenomena that pose high risks for its health, the integrity of its epidermal barrier, and its functionality. One of the main environmental issues for skin is the UV radiation from sunlight that causes erythema. The erythema causes a dilatation of blood vessels with alteration of interleukin 1 levels released by damaged keratinocites of skin. Long term exposures of skin during sunlight hours may cause melanoma and other kinds of cancers. The degree of UV absorption depends from many factors such as UV index, pigments, thickness and hydration, which are also factors in the skin's defense from external injuries. The evaluation of skin hydration become fundamental for the evaluation of the health state of skin, its selective permeability, and functionality. Our work is focused on the application of TVS skin test as a non-invasive tensiometric tool for hydration and surface free energy evaluation of in vivo skin. A new investigation on the influence of blood donation on hydration of skin measured by contact angle method is also reported with the aim to demonstrate the correlations between clinical and tensiometric data. Our approach demonstrated, in a non-invasive way, the possibility to determine the health state of skin in large scale and its functional efficacy. This approach also evaluating simultaneously its surface energy polar component, the water content linked to its polar component, the hydration state, and the capacity of skin to recover its functionality after treatment with a biomimetic activator and after the blood donation of a volunteer panel.

SESSION:MathematicsPoster	3rd Intl. Symp. on Sustainable Mathematics Applications
	Room: Foyer
Poster Session	4-7 Nov, 2018

[MathematicsPoster1] Numerical Solution of Optimal Control Problem for Linear Differential Equations with m-Point Nonlocal Boundary Conditions
David. Devadze ¹ ; Vakhtang. Beridze ¹ ; ¹Batumi Shota Rustaveli State University, Batumi, Georgia;
Paper Id: 281 [Abstract]

Nonlocal boundary value problems are quite an interesting generalization of classical problems, and at the same time, they are naturally obtained when constructing mathematical models of real processes in physics, engineering, and so on [1]. The Bitsadze-Samarski nonlocal boundary value problem [2] arose in connection with mathematical modeling of processes occurring in plasma physics. Nonlocal boundary value problems for quasilinear differential equations of first order on the plane were considered in the work [3]. An m-point nonlocal boundary value problem for generalized analytic functions is formulated in the works [4-5], where the investigation is carried out by the method of reducing nonlocal boundary value problems to a sequence of Riemann-Hilbert problems. When dealing with questions of optimization for systems with distributed parameters, an important tool is the use of problems of the existence of a generalized solution under discontinuous right-hand parts of the equation. In the work [6], a unified scheme is formulated for proving necessary conditions of optimality for a wide class of problems of optimization of objects with distributed parameters. The extension of the maximum principle to nonlocal boundary value problems can be found in [7], while in [8-11] it is shown that that their numerical solutions are of nontrivial nature. The present paper is dedicated to problems of optimal control, whose behavior is described by linear differential equations of first order on the plane with m-point nonlocal boundary conditions. Necessary and sufficient conditions of optimality are obtained. A theorem on the existence and uniqueness of a generalized solution of the conjugate problem is proved. A numerical algorithm of the solution of an optimal control problem is given.

SESSION:MineralPoster	5th Intl. Symp. on Sustainable Mineral Processing
	Room: Foyer
Poster Session	4-7 Nov, 2018

[MineralPoster1] Study on the Effect of Repetitive High-Voltage Nanosecond Pulses on the Natural Heterogeneous System of Diamonds
Igor. Bunin ¹ ; Nataliya. Anashkina ¹ ; Maria. Ryazantseva ¹ ; Galina. Khachatryan ² ; ¹Research Institute of Comprehensive Exploitation of Mineral Resources Russian Academy of Science, Moscow, Russian Federation; ²Central Research Institute of Geological Prospecting for Base and Precious Metals, Moscow, Russian Federation;
Paper Id: 126 [Abstract]

The efficiency of enriching diamond-bearing ores can be improved by developing and introducing new energy-saving methods aimed at increasing the quality of concentrates via kimberlite softening, the selective identification and withdrawal of diamond crystals in milling ores, and finding new distinctions and enhancing the contrast between the physicochemical, electrophysical, and luminescent properties of diamonds and other rock-forming minerals [1, 2]. In this work, we present the results from a comprehensive study of the mechanism behind the action of a high-power (high-voltage) nanosecond electromagnetic pulse (HPEMP [3]) on the structural chemical and physicochemical properties (electrostatic potential and hydrophobicity) of the surfaces of synthetic and natural technical diamonds. Our aim was to assess the efficiency of using HPEMP in the enrichment of diamond- bearing ores. We used samples of AS-120 synthetic diamonds with particle sizes of (-50 +40) mkm, along with crystals of natural technical diamonds (-2 +1) mm in size from the Triassic placer of the Bulkur site in the Nizhne Lenski region of Russia. The mineral samples were treated with high-voltage nanosecond videopulses (pulse front ~1.5 ns, pulse duration ~50 ns, and pulse amplitude U~25 kV; the field strength (E) is equal to ~10(to the power of 7) V/m; pulse repetition rate=100 Hz; pulse energy ~0.1 J; range of the change in treatment time t(treat)=10-150 s; number of pulses N(pulses)~(1-15)x10(3)). Fourier transform infrared spectroscopy (FTIR), analytical electron and atomic force microscopy, and physicochemical examination of the structure and properties of mineral surfaces are used to study changes in the structural defects, functional and chemical compositions, and surface electrical properties and hydrophobicity of diamond surfaces exposed to nonthermal nanosecond high-voltage pulse treatment. Hammett indicator adsorption in aqueous media [4] was used in our analysis of acid-base centers (functional chemical composition) on the surfaces of synthetic diamonds. A Shimadzu UV-1700 spectrophotometer was used to measure optical density in standard water solutions of acid-base indicators at wavelengths corresponding to their optical absorption maxima. According to the data obtained via spectrophotometric analysis and XPS, the nonthermal action of nanosecond high-voltage pulses ( t(treat)~10-30 s) on synthetic diamonds produced targeted structural chemical transformations of diamond crystal surfaces, i.e., the hydroxylation and/or hydration of the minerals surface. Considerable changes in the natural diamond IR spectra were observed after the electric pulse treatment of crystals with iron oxide mineral films, strongly adhesive clayish mineral coatings, and other impurities on their surfaces. Samples with phase impurities containing hydrocarbon and OH groups lost them after HPEMP treatment. For example, the IR spectrum of one crystal showed a sharp drop in the intensity of the spectral lines at 2918, 2849, and around 3400 cm-1 after t(treat)>50 s. This usually indicates the presence of hydrocarbon impurities and H2O. Due to the cracking peeling, destruction, and removal of hydrophilic mineral films from the surfaces of diamond crystals, the relative share of hydrophilic diamonds fell by 22% (from 45 to 23%) and reached its minimum at t(treat)~150 s, while the number of crystals with mixed properties grew. Improvement in the hydrophobic properties of diamond samples as a result of HPEMP treatment was observed at t(treat)~50 s, while the increased duration of treatment was accompanied by a reduction in the number of hydrophobic crystals. Analysis of our IRFS results showed that the nonthermal action of nanosecond HPEMP resulted in a notable systematic increase in the absorption coefficient of the line around 1365 cm-1, indicating there was an increase in the concentration of lamellar B2 defects (platelets) represented by internode carbon atoms. The action of nanosecond HPEMP can presumably generate new B2 centers inside diamonds of the medium-nitrogen crystal group, mostly in those with layered octahedron internal structures and elevated shares of nitrogen B defects. The effect of consistent increases in the concentration of B2 defects in our investigated natural diamond crystals upon lengthening the duration of electromagnetic pulse action was registered for the first time. According to IR spectroscopy, nanosecond HPEMP treatment of diamonds helps cleanse diamond surfaces of phase impurities, improves diamond transparency and hydrophobicity, and apparently enhances the strength of crystals due to increased concentrations of B2 defects. Lengthening the period of irradiation (the dose) to 150 s resulted in oxidation of the diamond surfaces by products of water-air medium radiolytic decomposition, which led to the production of hydroxyl and/or carbonyl groups on the crystal surfaces, a further shift of the diamond electrokinetic and electrostatic potential into the region of negative values, and deterioration of the diamond's hydrophobic properties.

[MineralPoster2] Bor Mine Tailings Treatment
Mile. Bugarin ¹ ; Ljiljana. Avramovic ¹ ; Jelena. Petrovic ¹ ; Radojka. Jonović ¹ ; ¹Mining and Metallurgy Institute Bor, Bor, Serbia and Montenegro;
Paper Id: 340 [Abstract]

This work contains the results from experimental testing on the process of oxidation copper leaching under pressure from concentrate obtained after the re-flotation process of tailings. Flotation tailings are a significant resource for recovery of copper and other useful components, since their content in tailings is approximate to the content in the primary raw materials. On the other hand, the dumped flotation tailings, under the influence of the atmosphere, pollute the surrounding land, surface waterways, as well as the groundwater, and present a serious environmental problem. Larger global companies are involved in research related to the process of obtaining the useful components from tailings. Testing the flotation process at the site Katanga [1] was focused on valorization of copper and cobalt from tailings. In the Musselwhite Mine in Ontario, the process of flotation concentration [2,3] has confirmed that this is an effective method for reducing the content of sulphides present in tailings. The effect of sulfuric acid concentration as a leaching reagent was tested, as well as the effect of temperature, pressure, and pulp density on the degree of copper leaching. The obtained results indicate that the use of combined procedure of re-flotation tailings and copper leaching under pressure achieve a high degree of copper separation of over 98%.

SESSION:NanomaterialsPoster	5th Intl. Symp. on Synthesis and Properties of Nanomaterials for Future Energy Demands
	Room: Foyer
Poster Session	4-7 Nov, 2018

[NanomaterialsPoster1] Study of Photovoltaic Devices Hybrid Active Layer
Pawel. Jarka ¹ ; Tomasz. Tański ² ; Wiktor. Matysiak ² ; Barbara. Hajduk ³ ; ¹Institute of Engineering Materials and Biomaterials, Silesian University of Technology, Gliwice, Poland; ²Silesian University of Technology, Gliwice, Poland; ³Centre of Polymer and Carbon Materials, Polish Academy of Sciences, Zabrze, Poland;
Paper Id: 240 [Abstract]

The aim of this work is present of the influences of composition of the material and manufacturing technology conditions of the photovoltaics devices (OPv) with the organic and hybrid bulk heterojunctin on the active layers properties and cells performance. The layers were produced by use small molecular compounds: the metal-phthalocyanine (MePc) and perylene derivatives (PTCDA) and the titanium dioxide (TiO₂) nanoparticles. Two kinds of metal phthalocyanines (NiPc, TiOPc) were used as donor material and as a acceptor was used pperylenetetracarboxylic dianhydride (PTCDA). The used manufacturing technique allows to using thin layers of materials in a fast deposition process. Bulk heterojunction was create by simultaneous applying the MePc:PTCDA materials during the temperature evaporation of the mixture of components. The research was based on the estimate of composition of bulk heterojunction, the examination of the surface morphology of the used layers and optical properties studies of the heterojunction and its implementation to photovoltaic architecture. The produced photovoltaic cells parameters were determined on the basis of current - voltage characteristics. The researches of structure of obtained layers were conducted by usingscannind electron microscope (SEM) transmittion electron microscopy (TEM). The quantitative determination of surface topography by determining RMS and Ra coefficients were perform by atomic force microscopy (AFM). In order to determining the optical properties of films the UV-Visible spectroscope have been utilize. Current - voltage characteristics were to determine the basic photovoltaic parameters using a dedicated device. The paper describes the influence of the individual components share of the bulk heterojunction on its structure, optical properties and morphology of surface. In addition allows for linking of active layers properties with the parameters of the photovoltaic cells. The obtain results suggest the possibility of developing the utilizing materials and technology in the further works on photovoltaic structures.

SESSION:Non-ferrousPoster	6th Intl. Symp. on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing
	Room: Foyer
Poster Session	4-7 Nov, 2018

[Non-ferrousPoster1] Comprehensive Ferritization Treatment of Exhausted Electroplating Electrolytes
Gennadii. Kochetov ¹ ; ¹NATIONAL UNIVERSITY OF CONSTRUCTION AND ARCHITECTURE, Kyiv, Ukraine;
Paper Id: 79 [Abstract]

Nowadays major attention is paid to the development of comprehensive industrial wastewater treatment, that ensures sufficient purification for recycling the water supply and further utilization of the treatment-generated waste [1]. In this connection, we used the ferritization process for treatment of the rinsing water of electroplating lines [2]. In this work, the authors apply the ferritization process to also reduce initial concentrations of heavy metals in exhausted electroplating electrolytes from 100 g/l to 0.3 mg/l, in order to treat water to meet all requirements for its re-use. Effects of main technological parameters of such wastewater treatment were determined experimentally. The kinetics of heavy metals removal from aqueous solutions were studied. Economic feasibility of applications of the electromagnetic pulse method for solution activations in the range of generated frequencies up to 0.9 kHz is shown. Phase compositions of sediments from the wastewater treated were studied by X-ray diffraction and scanning electron microscopy. The sediments are predominantly characterized by crystalline structures, ferromagnetic properties, and chemical stability, supporting opportunities for environmentally sound utilization. In contrast to traditional reagent-based wastewater treatment methods [3], we propose a comprehensive process for treating liquid industrial waste flows with the introduction of a recycling water supply, that would prevent environmental contamination by toxic effluents, and ensure the efficient use of water, raw materials, and energy inputs in industrial facilities.

[Non-ferrousPoster2] Blast Furnace Slag Versus Cupola Furnace Slag
Alena. Pribulova ¹ ; Peter. Futas ² ; Jozef. Petrik ³ ; Marcela. Pokusova ⁴ ; ¹Technical University in Kosice, Faculty of Metallurgy, Kosice, Slovakia (Slovak Republic); ²Slovak University of Technology, Bratislava, Slovakia; ³Technical university of Kosice, Kosice, Slovakia (Slovak Republic); ⁴Slovak University of Technology in Bratislava, Bratislava, Slovenia;
Paper Id: 348 [Abstract]

Blast furnace and cupola furnace are furnace aggregates used for pig iron and cast iron production. Both furnace aggregates work on very similar principles: they use coke as the fuel, charge goes from the top to down, the gases flow against it, etc. Their construction is very similar (cupola furnace is usually much smaller) and the structures of pig iron and cast iron are very similar too. Small differences between cast iron and pig iron are only in carbon and silicon content. The slags that originate from blast furnace and in cupola furnace are very similar in chemical composition, but blast furnace slag has a very widespread use in civil engineering, primarily in road construction, concrete and cement production, and in other industries, but the cupola furnace slag utilization is minimal. The contribution analyzes identical and different properties of both kinds of slags, and attempts to explain the differences in their uses. They are compared by the contribution of the blast furnace slag cooled in water and on air, and cupola furnace slag cooled on air and granulated in water. Their physical - chemical properties are compared to explain the differences in their utilization.

[Non-ferrousPoster3] Extraction of Rare-earth Metals from Waste Productions of Phosphoric Acid
Madali. Naimanbayev ¹ ; Bagdaulet. Kenzhaliyev ² ; Nina. Lokhova ¹ ; Zhazira. Baltabekova ³ ; ¹Center of Earth Sciences, Metallurgy and Ore Benefication, Almaty, Kazakhstan; ²Kazakh-British Technical University, Almaty, Kazakhstan; ³Center of Earth Sciences, Metallurgy and Ore Benefication, Almaty, Kazakhstan, Kazakhstan;
Paper Id: 349 [Abstract]

Recycling of industrial waste, provided that they have enough valuable elements, requires significantly less investment compared to ore processing. The most promising man-made raw material of rare earth elements is phosphogypsum - production wastes of phosphoric acid. Until recently, works performed on dismantlement of phosphogypsum only concerned phosphogypsum processing from apatite concentrate. In this case, none of the known developments were tested for phosphogypsum produced on the basis of phosphorus, the chemical and mineralogical composition of which is markedly different from apatites. We studied phosphorites of the Karatau deposits (Kazakhstan). Mineralogically, all the layers are composed of three main ingredients: phosphate, silica, and carbonate, which account for 92-96% of the weight composition of ores and rocks. Of the mineral impurities there are pyrite, iron hydroxides, gypsum, tremolite, fluorite. In a few grains, there are glauconite, feldspar, sericite, muscovite, biotite, miroksen, zircon and other accessory minerals. In addition to the actual composition of phosphate in phosphate ores, there are low-temperature and high-temperature apatite. Silica is presented by chalcedony and quartz, and carbonate by calcite and dolomite. The results of X-ray microanalysis showed point cluster of grains containing rare earth elements in samples of phosphate ore. Analysis of the grain showed that rare earth elements are in the form of phosphates and silicates, which, according to numerous studies in apatites, is not established. In this regard, phosphogypsum, waste of production, is different in composition too. Therefore, transfer of techniques proposed in the methods for extracting rare earths from phosphogypsum after processing apatite, did not give the stated results and required a new approach to solving this problem. It should be noted that the phosphogypsum produced by processing the Karatau phosphorite contains medium group of rare earth elements by 2.6, and heavy group by 7.8 times more than the phosphogypsum produced by processing the Kola apatite. Given the shortage of medium and heavy rare earth elements, research to develop ways to extract the lanthanides from phosphogypsum after processing phosphate rock is promising. The study contains results of laboratory studies on the extraction of REE from phosphogypsum after Karatau phosphorite processing.