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By Liya Bochkareva, David Hui, Sergey Eremeev, Maksim Kireitseu, Igor Nedavniy

The principal goal of the present paper is to demonstrate an application of modern software engineering tools for modeling virtual reality and molecular dynamics of novel nanocomposites. The main technical components of presented system are I) software and nanoengineering tools for modeling of virtual reality, molecular dynamic and 30 video images of novel diamcindscontaining nanocomposites and 2) Problem tracking system to be used during modeling of virtual reality. A computational scheme and software, which utilizes neural networks and/or Microsoft. Net technique was developed to predict properties of nano-structured materials and optimization and control of nano-devices. Developed software and IT nanoengineering tools can be used by both industrial and private single users. For commercial companies proposed technology may provide better cost-effective alternative to the existing solutions for nanoengineering and modeling their virtual realit. For private users (students, professors, and engineers) proposed technology and IT tools can provide simple and cost-effective solution for nanoengineering while studying, exploring virtual reality and modeling novel nanostructures and its properties leading to an innovation or a discovery. Because of using novel software and methodologies, users can easily operate proposed technologies by available computers and operating systems (Pentium III or IV). In addition, users can upgrade it by their own self-written models, if necessary. The proposed technologies could replace or be used along with technologies for modeling such as 30 max studio and others.

Jan 1, 2004

By Z. Jing, L. Qihou, C. Jun, L. Hui, Z. Yumeng

Three phases of Bi2O3 were first synthesized by extraction-stripping precipitation and post decomposition from BiCl3 leaching solution. The as-prepared Bi2O3 were characterized by X-ray powder diffraction (XRD), Fourier transform infrared spectra (FT-IR), scanning and transmission electron microscopy (SEM, TEM), UV-vis diffuse reflectance spectroscopy (UV-vis DRS), Brunauer-Emmett-Teller (BET) and X-ray photoelectron spectroscopy (XPS). The photocatalytic performances of the oxides were investigated by decomposing rhodamine B (RB) under visible irradiation. It shows that the Bi2O3 with different crystal structures and morphology were obtained under different decomposition temperature. The band gaps of as-prepared samples were 2.36, 2.41, and 2.78 eV for b-Bi2O3, a-Bi2O3, and d-Bi2O3, respectively, and the photocatalytic activities followed the order: b-Bi2O3 > a-Bi2O3 > d-Bi2O3, which was in good accordance with the photoluminescence spectra measurement results. The b-Bi2O3 exhibited the best photocatalytic performance which can effectively degrade 99.23% RB within 240 min.

Mar 1, 2018

By Atul Kurnar

In the present research a two-cell polymer electrolyte membrane fuel cell stack (PEMFCS) with SS-316 bipolar plates has been tested. Different flow field designs were studied and a modified multi-parallel channel design is proposed. The stack is stable within ±3 mV even after 1000 hours of continuous operation, indicating efficient water management and effective removal of any metal ions from the stack. Also no iron is detected in membrane electrode assembly (MEA) by EDAX analysis after 1000 hours of cell operation. Results indicate that high operating pressures beyond 138 kPa didn't significantly increase the performance of cell, however added much to the pressurization cost of the system. Tests at different temperatures showed that at temperatures below 80°C, external humidification could be completely removed. The prototype stack is also tested under variable load conditions simulating highway-driving schedule. The experimental efficiency of PEMFCS is 48%, which is in good agreement with the model predicted efficiency of 53.8 %. Results show that 59% of the total losses are due to ohmic polarization in the cell. Further analysis on applications of the stack in automotive transportation system is in progress.

Jan 1, 2002

By Yury Kapelyushin

Formation of cementite in the reduction of hematite by CO–CO2 gas was studied in situ using high temperature XRD (HT XRD) analysis. Reduction of hematite was examined in the temperature range 873–1173 K by CO–CO2 gas mixture with high carbon activity. When carbon activity in the system was 1.5, cementite was formed only at 1023 K; it was not observed in experiments at 973, 1073 and 1123 K. Formation of cementite was observed at 923–1073 K when carbon activity increased to 3–5; and at 873 K when carbon activity was 10. Formation of cementite at 973–1073 K proceeded through metallic iron; however, in the reduction of hematite at 873 and 923 K, iron was not observed; cementite apparently was formed directly from wüstite. XRD spectra were used to estimate concentration of carbon in austenite in the process of cementite fromation.

By Yuzhe Zhang, Matthew Andriese, Jiann-Yang Hwang, Guanghui Li, Zhiwei Peng, Tao Jiang

The microwave power absorption characteristics of iron oxides, including Fe2O3, Fe3O4 and Fe0.925O, have been studied by determining dielectric loss and magnetic loss distributions in 0.05-m-thick oxide slabs irradiated with 1.2-kW, 2.45-GHz microwaves. The results reveal that the dielectric loss is the main factor contributing to microwave absorption in Fe2O3 and Fe0.925O, while the magnetic loss dominates the power absorption in Fe3O4 below its Curie point. Uneven power distributions are observed in the slabs and this phenomenon becomes even worse at high temperatures at which the permittivity increases significantly. Quantification of power absorption in the oxides is of great importance for efficient and uniform microwave heating

Jan 1, 2015

By Bhavani Kedika, Venkatagiri Noole, Krishna Thotla, Krishna Reddy Chepyala

Cationic lipids are attractive candidates for transgene delivery and expression and are safer alternatives to viral delivery vehicles. Here, we report the design, synthesis, characterization and transgene expression efficacies of a series of chrysin derived cationic lipids. A series of ten lipids of chrysin was synthesized by treating the 7-hydroxy group with dibromoalkane and further substitution of the bromo derivative with alkyl amines. The synthesized lipids were characterized spectroscopically. Parallel screening of the synthesized lipids for in vitro plasmid delivery expressing luciferase led to identification of several leads that demonstrated higher transgene expression when compared to the standard. Transgene expression efficacy was dependent on the chain length of the lipid. The influence of the various physicochemical properties on transgene expression efficacies was investigated. This study indicates that lipids derived from chrysin results in high levels of transgene expression and may be attractive for gene therapy applications.

Mar 1, 2017

By T. Shibasaki

Purification of copper electrolyte at Naoshima is carried out by two stage liberation to completely depress copper and impurity ions followed by concentration of the solution to produce crude nikel sulfate as by-product. A new nickel recovering process has been developed and pilot tested recently. It consists of the following process steps.; neutralization of spent electrolyte from liberation section to remove free acid and most part of remaining impurity ions, refining and nickel concentration by solvent extraction, and crystallization of pure nickel sulfate from concentrated strip solution. This paper describes the results of laboratory and pilot plant tests, then briefly discusses feasibility of the proposed process.

Jan 1, 1987

By N. L. Piret

Primary and secondary copper smelting dusts are being generated in varying quantities with very dissimilar characteristics due to the different compositions of feed materials and the type of process utilized. After categorizing the multitude of dust types, the criteria for on-site and off-site recycling of smelter dust in terms of type and concentrations of the accompanying elements are established. Thereby, consideration is given to the important aspects of: ? optimization of copper recovery ? quality of copper product ? valorization of accompanying elements ? elimination and disposal of deleterious impurities ? minimization of impact on operation ? effects on operating costs ? environmental impact of dust treatment on overall process Existing commercial, emerging and proposed copper smelting dusts, pyrometallurgical as well as hydrometallurgical, treatment schemes are reviewed and evaluated technically, economically and environmentally in an attempt to streamline the vast number of proposed options. Thereby, the high selectivity achievable in hydrometallurgical dust processing due to it being complementary to the smelting process is expected to be given increased consideration.

Jan 1, 1995

By Peiwei Hu, Min Lu, Tiejun Chen

Based on the analysis of properties of vanadium tailing (VT), the surface modification study was carried out as a polymer filler. The modification effects of the three kinds of coupling agents on VT and the mechanical properties of polypropylene (PP) composites with a modified vanadium tailing (MVT) were compared to determine the suitable surface modification agent and modification processes for VT. The results show that the best one is aluminate coupling agent DL-411. When the content is 1.2 wt% and the temperature was 100 °C, the activity index of modified vanadium tailing (MVT) is 95.53%. FTIR analysis shows that DL-411 has the strongest binding ability on VT. XRD analysis shows that VT has a heterogeneous nucleation on PP to induced b form formation, and DL-411 could enhance this nucleation. So the composites has higher strength and better toughness. When the content of MVT is 10 phr, the tensile strength, impact strength, flexural strength and flexural modulus of the composites are 47.51 MPa, 38.43 kJ/m2, 59.57 and 1654.36 MPa, respectively.

Mar 1, 2018

By R. J. Kuczynski

The U.S. Bureau of Mines operated a 2,000-9 (4.4-lb) batch process development unit for recovering platinum-group metals (PGM) from automobile catalysts. Virgin monolith, used pellet and used monolith catalyst samples were tested. Leaching twice with 1-pct sodium cyanide (NaCN) solution at 160' C for 1 h in a pressure vessel dissolved over 95 pct of the PGM from virgin catalysts and over 90 pct from used pellet catalysts. Over 85 pct of the PGM was dissolved from used monolith catalysts when a third leaching step was added. PGM concentrates as metallic powder containing over 99.8 pct of the dissolved PGM and analyzing greater than 70 pct PGM were recovered by heating the pregnant leach solutions from virgin catalysts to 250' C and used catalyst to 275" C for 1 h. The solution after heating contained primarily sodium carbonate from cyanide decomposition and less than 0.2 ppm total cyanide.

Jan 1, 1993

By Adam Powell, Salvador Barriga, Matthew Earlam

"The inert anode is a key enabling technology for dramatic energy and emissions reduction in extractive metallurgy. In molten salts, the materials challenge is nearly insurmountable: the anode must conduct electrons at high temperature in a pure oxygen and molten salt environment. A solid electrolyte, e.g. zirconia, between the salt and anode removes the molten salt stability constraint, and can act as a container for a liquid metal anode. This can be liquid silver for oxygen-generating inert anodes, or several metals for natural gas-fueled anodes; it is possible to switch between these modes. The solid electrolyte brings several other benefits: it eliminates molten salt contamination of the anode gas, creates a reducing environment enabling low-cost steel vessels, increases current efficiency, and eliminates carbon contamination of the product. New developments presented here, including current collector and low-cost anode designs, amplify these benefits for producing aluminum, magnesium, rare-earths, and other metals.IntroductionReactive metals such as magnesium, aluminum and rare-earths play increasing roles in efficient transportation and clean energy. In response to new fuel economy standards, automotive OEMs are planning large increases in use of aluminum and magnesium to reduce vehicle weight. Rareearth permanent magnet motors and generators exhibit better power-to-weight and efficiency than induction motors and other designs, making this today's primary motor technology for hybrid and electric vehicles, and for wind turbines. Nickel metal hydride (NiMH) batteries with lanthanum are dominant in hybrids. In 2011, transportation comprised 28.6 out of 103.1 EJ of US energy consumption [1] and 1,845 out of 5,471 million metric tonnes (MMT = 109 kg) CO2e of US greenhouse gas (GHG) emissions [1], creating big targets for economy-wide reductions.Unfortunately processes for making reactive metals for these applications are very inefficient and heavily-polluting. In primary aluminum production, Hall-Heroult cell electricity use [2] is more than double the reaction enthalpy due to heat losses through frozen cryolite side-walls and anode gases, graphite anode plants add significant energy use and GHG emissions [2] (see Table 1). Magnesium is even worse: silicothermic reduction by the Pidgeon process in China produces about 85% of the world's magnesium using coal or coke gas [3]. Chloride electrolysis begins with high-purity MgO and requires carbochlorination or hydrochlorination and costly chloride dehydration [4]—rendered unnecessary for aluminum by the Hall-Heroult cell. Production of neodymium and lanthanum with graphite anodes leads to inconsistent carbon content: small cells make 1 kg batches for analysis, sorting and sale by carbon content, with very high labor and analysis costs. And vertical electrodes give no incentive to reduce anode effect: some reports indicate that China's rare-earth metal industry emits more CF4 and C2F6—with global warming potential (GWP) 6500 and 9200 times CO2 respectively—than China's aluminum industry [5]."

Jan 1, 2014

By G. Mawire

The extraction of scandium from its oxide with a task specific ionic liquid [Hbet][Tf2N] offers potential advantages of lower energy consumption, recycling of the extractant and reduced environmental impact compared to conventional methods. In this paper, the influence of reaction temperature, solid to liquid ratio and water to the ionic liquid ratio on the extraction of scandium from a synthetic scandium oxide (Sc2O3) system was studied. The influence of investigated parameters on leaching was very significant as approximately 98% scandium was extracted from its oxide after 72 h. Furthermore, the ionic liquid also selectively extracted 47% scandium after 48 h from a mixture of pure metal oxides containing oxides of tantalum, niobium, and scandium. The research demonstrated the potential of [Hbet][Tf2N] to selectively extract scandium from columbite processing tailings and other scandium bearing ores like Ixiolite, Heftetjernite and Tantalite which predominately contain tantalum and niobium.

By J. G. Eacott

This paper reviews the role of oxygen potential and the advances that have been made in the application of tonnage oxygen in copper smelting. Brief reference is made to reaction kinetics before attention is turned to the thermodynamic considerations in copper melting to illustrate the importance of oxygen and. oxygen potential in the component parts of the overall smelting process. The chemical potential diagram for the Cu-Fe-S-O-Si02 system is used to elucidate the difference b etween the conventional matte smelting process and the modern continuous processes. A progressive oxidation scale' is constructed to show the common elements which exist, and the matte grades produced, during the smelting of concentrates to blister copper in commercially available copper smelting processes and those under development. The common route in producing blister copper from molten mattes, regardless of process, is illustrated on the Cu-Fe-S equilibrium phase diagram. The essential features of oxygen enrichment, in terms of its effect on combustion conditions (i.e. oxidation of fuel and sulphide minerals) and the heat balance are outlined. The benefits of oxygen enrichment are listed. The influence of tonnage oxygen and its effect on productivity, fuel savings, gas volume and strength in various copper melting processes are examined as a state-of-the-art review. Reference is made to the economics of tonnage oxygen utilization.

Jan 1, 1983

By W. G. Davenport

Chapter 1 showed that flash smelting is a key step in extracting copper from sulfide ores. It also showed that there , are two versions of flash smelting: (a) Outokumpu flash smelting, which uses oxygen-enriched air blast and injects dry feed downwards into a hot furnace (b) lncoflash? smelting, which uses industrial oxygen blast and injects dry feed horizontally into a hot furnace. This chapter describes Outokumpu flash smelting.

Jan 1, 2001

By Jerold L. Johnson

Remediation of small-arms firing ranges is being investigated by the Naval Civil Engineering Laboratory and the U.S. Bureau of Mines. Scheduled closures of military installations, as well as the management of active ranges, require the development of methodologies for heavy metals removal to prevent their entering the surrounding environment. The impact berms contain high concentrations of metals, and the soil and vegetation surrounding the berms were found to have slightly elevated levels. The heavy metals characterized are in the form of whole bullets, a wide size distribution of free fragments, smeared lead on the surface of the soil grains, and very finely attached particles. Gravity beneficiation can remove liberated metal contamination effectively. Weak acetic acid leaching shows promise in lowering the final metal contamination to allow the ,soil to pass the Environmental Protection Agency's (EPA) Toxicity Characteristic Leaching Procedure (TCLP) criteria.

Jan 1, 1993

By P. Chris Pistorius

An example is presented to illustrate the joint effect of local reaction equilibria and mass transfer limitations, for reactions during ladle refining of steel. The example relies on some of the kinetic principles that David Robertson has employed to quantify many metallurgical processes. In calcium treatment of alumina inclusions in aluminum-killed steels, solid CaS forms as an intermediate reaction product. During subsequent reaction, CaS disappears and calcium aluminate forms; at the same time, aluminum and sulfur dissolve in the steel. Kinetic analysis shows that the rate of this reaction is not limited by mass transfer of dissolved aluminum and sulfur away from the reacting inclusions. The reaction rate is likely limited by transport of dissolved calcium. This example also illustrates the use of FactSage macros for kinetic modeling.

Jan 1, 2014

By D. M. Wyslouzil

The fundamentals of dissolving silver and silver minerals are discussed in the following sections: 1) Basic chemical reactions in the silver system 2) Leaching of pure silver minerals 3) Leaching of silver-bearing ores 4) Description of processes The basic chemical reactions of silver are an important guide to the mineral processor or the extractive metallurgist, particularly for systems in which complex formations are balanced against solubilities. The competition of other cations for free ligands can shift the equilibrium to the detriment of silver. Solubilities of pure silver minerals in specific solvents may not be a good indication of the solubility of silver minerals in ores. The abundance of silver minerals which usually appear in a typical ore precludes the selection of a single method that would result in the best extraction of silver from all minerals in the ore. Frequently, the recovery of silver from host minerals requires a destructive pretreatment such as intensive leaching, oxidation with or without elevated temperature and oxygen pressure, or roasting. The transformation of the host or the silver minerals does not always result in a leachable species? and this requires additional treatment before the precious metal can be recovered.

Jan 1, 1990

By Joseph Bloch

The hydriding of bulk metals and alloys is a gas-solid reaction in which a hydride product layer is initially nucleated adjacent to the gas-solid interface and continues to grow until a complete transformation of the parent (a) phase into the hydride phase. The combination of measurements of the overall hydriding kinetics of samples having defined shapes and dimensions, together with examinations of partially hydrided samples, enables the presentation of the reaction rate in terms of an appropriate reaction model. A common and important type of topochemical development of the hydride in bulk metals and alloys involves a hydride layer formed on the metallic surface. The continuity of the layer can affect the reaction rate. The rate of hydrogen absorption in a sample, in the presence of a hydride layer, is usually analyzed using a model combining several sequential steps in which the hydrogen is transferred from the gas phase into the reaction site. Coupling the flux equations across the layer under proper steady state conditions, results in a complex rate equation in which the steady state rate of hydrogen absorption (proportional to the hydride layer velocity) is expressed in terms of the pressure, temperature, the rate constants of the sequential steps and the critical concentrations of hydrogen in the hydride. Generally, the rate constants of the individual microscopic processes are comparable in magnitude, so that the overall rate is not controlled by any of the specific sequential steps. However, there are two limit cases related to the first stage, the adsorption, for which the general rate equation is much simpler, namely, the fast and the slow adsorption approximations. Using this limit cases, equations are derived for the steady state hydriding rate of a given system. These equations provide means to anticipate the pressure dependence of the steady state absorption rate under low pressures, close to Peq and under very high pressures. At the low pressure regime both the fast and slow absorption cases yield linear pressure dependence. For the very high pressure range, it is found that the rate become independent of the applied pressure. The rate is given then by a combination of the individual rate constants of the system and the critical hydrogen concentrations. The model is shown to apply in several real cases, such as ZrCo, LaNi5 and titanium.

Jan 1, 2002

By Shoukun Wei, Cong Wang, Lin Cheng, Zhiyu Qiao, Jingkui Liang, Weidong Zhuang

"The subsolidus phase relations in the Sm2O3-CeO2-CuO ternary system sintered at 1000°C in air have been investigated by X-ray powder diffraction. The system can be divided into two ternary phase regions and three binary phase regions. Solid solution Sm2-xCexCuO4-y is the only ternary phase in the system. The maximum solid solubility was confirmed to be x = 0.2. The crystal structure, oxygen content and superconductivity of the solid solution Sm2-xCexCuO4-y have been investigated.I. INTRODUCTIONAfter the first discovery of the superconducting ceramic system La-Ba -Cu-O[l] with Tc = 30 to 40K, other families of cuprate-based ceramics have been synthesized with higher critical temperature. These oxides include the R-Ba-Cu-O (R: rare earth) systems (Tc=90K or so)[2,3], the Pb-Sr-(R,Ca)-Cu-O systems (T c = 50 to 100K), the Bi-Sr-Ca-Cu-O systems (Tc=80 to 105K)[4], the T1-Ba-Ca-Cu-O systems (Tc=85 to 125K)[5], the Hg-Ba-Ca-Cu-O systems (Tc=90 to 150K)[6,7], and some others. The improvement of Tc is very rapid. The measurement of the Hall and Seebeck coefficients shows that they all are p-type superconductors. In 1989, Tokura et al.[8] discovered the superconductors R2_XCexCU04_y(R = Nd, Pr, Sm) with Tc=20 to 24K (onset) and found that the charge carrier is electron in contrast to their hole doped counterparts. This discovery increases the fundamental understanding of the cuprate-based superconductors by comparing their characteristics and mechanisms to those of the p-type superconductors.One of the outstanding features of these n-type superconductors is the difficulty in obtaining samples in good charactors, such as the difficulty in obtaining zero resistivity state in single crystal or bulk samples; the semi-conductivity of bulk samples in ordinary state (opposite to the superconducting state) and a reducing reaction involved before the superconductivity has been found[9]. Therefore, it is necessary to optimize the sample preparation of the n-type superconductors. All the n-type superconductors have been found· considerable solid solubility. The compositional variations play a governing role in the carrier doping of the superconducting phases. Also, it is vital to the ceramic processing of superconductors to identify the compatible phases in the phase diagram. Finally, there is always the possibility of finding additional compounds, both superconducting and non-superconducting, in an unexplored system."

Jan 1, 1996

By J. Jakumelt

The coupled simulation of mold filling and solidification for an investment casting process presents difficult. This is due to the complexity of the carious physical process and the geometry, To achieve this task in a precise way, the CFD program FLUENT and the casting simulation tool CASTS were closely coupled. Any physical quantity, such as velocities or temperatures, can be exchanged via files after each time step of the simulation. The communication and operating sequence of the programs is controlled by PERL-scripts. This enables the expertise of FLU ENT for flow simulation and the strength of CASTS, for casting simulation to be combined. The coupled simulation was successful applied to an aerospace investment casting. Several physical models were tested for correct treatment of the casting filters, the porosity of the mold and the viscosity of the liquid metal. The results demonstrate that even complex investment casting geometries can be investigated using CASTS-FLUENT.

Jan 1, 2003