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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 G. H. Khoe

Although some hydrometallurgical process liquors contain significant amounts of ferrous and arsenate ions, no reliable thermochemical data for the aqueous complexes and the solubility of the ferrous arsenate precipitate are available. The complexation of iron(11) with arsenate has been investigated using the potentiomemc titration method. The results indicated that virtually no complexation of iron(@ with arsenate has been observed. This is in contrast to the significant complexing reported for iron(1n) with arsenate. The solubility product of the precipitate was calculated using the concentrations of appropriate arsenate species pertaining to the observed precipitation pH's. The fit of the observed precipitation points on the solubility curve of the computed stability diagram was used to assess the appropriateness of the equilibrium model.

Jan 1, 1991

By I. Gaballah

The electrochemical behavior of a chalcopyrite concentrate having a high pyrite content was studied in HC1 by potentiodynamic, potentiostatic and galvanostatic experiments using a cell having separate anodic and cathodic compartments. Anodic oxidation of chalcopyrite particles was realized both by their contact with the cunent feeder and by reaction with ferric and cupric ions. An increase of current leads to a more selective dissolution of chalcopyrite. Surface passivation was observed after an electrolysis time related to the cell current. Cathodic reduction of chalcopyrite concentrate seems to be more promising. Almost complete conversion of chalcopyrite to a copper sulfide (Cui.8.S) is observed, whereas no reaction of the pyrite was detected. This confirms the possible selective dissolution of copper from the chalcopyrite concentrate. Copper sulfide obtained by cathodic reduction was leached using a cupric chloride solution.

Jan 1, 1994

By Hu Long

Pyrite, as the host mineral in refractory gold ores and concentrates, has been treated by pressure oxidation in sulfuric acid solutions at temperatures above 180°C to liberate gold prior to cyanidation since the 1980's. However, no data is available on the kinetics of pyrite during acid pressure oxidation over the temperature range of 180 to 230°C which is the range employed by most commercial plants. The dissolution of pyrite (FeS,) in sulfuric acid solution under oxygen pressure was investigated at temperatures ranging from 170 to 230°C. The effects of temperature, particle size, agitation speed, oxygen partial pressure, and pulp density were evaluated. The effects of foreign ion addition and the concentration of sulfuric acid were also examined. The apparent activation energy was estimated to be 42.6 kJ/mol in the temperature range 170 to 230°C. The reaction orders with respect to particle size and oxygen partial pressure were found to be -1.5 and 0.5 at 210°C, respectively. Experimental evidence suggests that the kinetics are limited by the surface chemical reaction initially, and then also to some extent by the diffusion of ferrous ions away from the particle surface.

Jan 1, 1999

By Ignacy A. Lipiec

The advantage of microorganisms used in bioleach systems to conventional chemical reaction systems is that these apply the available energy more precisely where it is needed, either directly onto the mineral of interest or by efficiently catalyzing the production of a reactant. The literature cover the range from empirical models used in describing macro heat balance in heaps to detailed studies relating the micro heat effects of bacteria adhesion energy to the surface of minerals. In this paper, the heat effects are reviewed in a general way describing bioleaching in two macro systems, heap leaching and slurry bioreactors. The micro scale heat effects is the reactions and conditions at the microorganism scale, including the mechanism of leaching and bacterial behavior.

Jan 1, 1998

By J. S. Kirkaldy

A theoretical procedure is demonstrated for calculating two-dimensional binary cellular single-valued interfaces and extended to triple-valued (remelt) shapes. The numerical calculations for the single-valued local equilibrium problem which yield unique shapes as functions of the supersaturation parameter a and the partition coefficient k are reviewed. The cell amplitude L and wavelength A scale identically as the inverse velocity to the 112 power and the aspect ratio r is a constant equal to 312, independently of a and k for a < 0.5.. For 0.5 < a < m, L, A and r decrease asymptotically to zero indicating the finite amplitude nature of the instability at a = 1 and the existence of sub-marginal states which converge to a flat interface at a- m (Glv- m). Scaling comparisons between equilibrium single-valued and triple-valued and deep-rooted non- equilibrium cells are made.

Jan 1, 1992

By C. H. Bucknam

A review of phase analysis methods used to characterize refractory gold ores is presented. Updating of assay methods using database technology, on-line instrument interfacing and response surface modeling is highlighted. The use of assay results to classify ores for metallurgical purposes is demonstrated.

Jan 1, 1987

By M. R. Baren

Unpublished results obtained by Baren on thermodynamic properties of sulfur in liquid Fe. Co. Ni. Fe-Co. Fe-Ni. and Co-Ni are reevaluated. correlated. and interpreted on the basis of recent developments in thermodynamics of alloys:. Existing reliable data are reviewed and compared with the? present results. Sulfur obeys Henry&apos;s law up to 0.04 mol fraction. and in this range the standard Gibbs energy of solution of sulfur is expressed as a linear function of temperature for each pure metal. The activity coefficient of sulfur in each binary metal solvent 1s correlated with the composition of alloy.

Jan 1, 1983

By Hani Henein, J. Barry Wiskel

"The easy accessibility and power of the PC, as well as the education of our engineering students in the use of these tools, are compelling reasons for developing computer aided instructional (CAI) tools. There are a wide range of areas in the engineering curriculum where students must learn the steps and the process of applying judgement in problem solving. In the typical course instruction, · an instructor introduces theory to students; the application of the theory to solving problems is often demonstrated in the abstract. Students therefore spend a significant amount of time learning how to apply the theory to problem solving. Additional time and effort must then be spent to get students to the point of learning concepts and integrating this knowledge. A number of computer aided packages have therefore been developed for use in several courses in the materials science and engineering curriculum that encompass both calculational and instructional capabilities. This paper presents an overview of some of these packages which include the solution of a non-linear equation, the instruction of binary diffusion couples, an introduction of crystallography, an introduction to heat transfer and the solution of thermodynamic stability diagrams. The context in which these CAI Tutorials were developed and are being used will be discussed. The pitfalls in the development of these packages will also be discussed. The use of the tutorials has important implications on the expectations from an engineering education of both instructor and student.IntroductionTraditionally, it is quite routine to teach engineering students how to use a computer (the PC today for undergraduates) as a tool in performing engineering calculations or in simulating a process or a unit operation. This often takes the form of one course in computer programming, whether it is Fortran, Visual basic or a spreadsheet, and another course in numerical computation. However, the materials and electronic revolution have brought about considerable advances in computer power and speed, and accessibility. Today, the manipulation of digital images, movies, and speech are commonplace on a desktop PC.' Many mathematical models that were executed only on workstations can now be readily handled on a PC. Concurrently, more of our students own a PC even if their curriculum does not require them to purchase one. Today, virtually every university student has been introduced to the PC in either their elementary or high school education. Hence, the increased capabilities and accessibility of the PC and the familiarity of students with this tool make it compelling to explore its use as an educational tool for our engineering students. This is not a traditional role of a computer in our engineering curriculum."

Jan 1, 2000

By Kevin L. Gering

A detection method and apparatus have been developed to perform real-time measurement of aqueous free cyanide, C-. A laboratory prototype can measure cyanide ranging from 5 micrograms ,per liter to 100 milligrams per ?liter for analysis times as short as 2 minutes per measurement. Sample size per measurement is typically only a few mI, thus? minimizing the waste volume produced from spent samples. The basis for this detection device is a quantifiable, stable affinity between the electrode material and free cyanide in the sample; The electrode exhibits piezoelectric behavior, allowing it to be used as a microbalance. This technology &apos;has experienced two generations of laboratory prototypes, and has been thoroughly tested to determine the operational sensitivity toward process variables such as pH, competing reactions, etc. The speed and ,accuracy of this method make it superior to conventional wet chemistry methods used for quantifying cyanide levels in water. A device based on this technology could be useful in areas involving process monitoring and environmental compliance, .particularly in the cyanide-based leach mining industry. Interest for this detector has been shown by the gold mining industry and others. Patent application is in progress.

Jan 1, 1998

By Walter Curlook

An atmospheric acid leaching process for leaching nickel and cobalt from highly-serpentinized saprolitic fractions of nickel laterite deposits has been developed and patented [I]. The process involves leaching the highly-serpentinized saprolitic portion of the nickel laterite ore profile in strong sulphuric acid solutions at atmospheric pressure and temperatures between 80°C and 100°C, essentially autogenously, to extract over 85% of its contained nickel content and a large proportion of its cobalt content after leaching times of about one hour. The amount of sulphuric acid used in the leaching process is between 80% and 100% by weight of the finely ground highly-serpentinized saprolite ore on a dry weight basis. The metal values are recovered as intermediate products. Key words: Atmospheric Leaching; Nickel Oxide Ores; Laterites

Jan 1, 2004

By Kerri-Ann Hue, Kerry Hasapidis, Ken Babcock, Patrick O'Hagan

"Metallic nanoparticles exhibit properties that are significantly different from individual atoms or bulk materials. Their applications are diverse and have varying uses in areas such as cancer treatment, biochemical sensors, nanoelectronics, and drug delivery. For each application extensive characterization must be performed in order to probe the unique properties of these nanoparticles. In this study, ultra-high resolution mass sensors consisting of MEMs-fabricated, suspended microchannel resonators (SMRs) were used to determine the size and concentration of metallic nanoparticles. With femtogram (10- 15 g) mass resolution, ultra-high resolution mass sensors can weigh individual particles suspended in fluid, and so measure their mass, density, and size. Particle size analysis with these sensors provides excellent accuracy and resolution compared to mature technologies such as light scattering. This technique also provides quantitative information via the ability count particles.IntroductionThe unique electronic, chemical, and optical properties associated with nanoparticles vary with their size, shape, and composition[ 1-4]. These properties are attributed to increased surface area and nanosized mean free path of electrons to the particle surface. Nanoparticle colloidal solutions have been prepared and are commercially available. In recent years, noble metals such as gold, copper, and silver have been extensively researched[5-7]. In order to tailor the optical, electronic, and electrical properties of nanoparticles, size and shape must be controlled. For many applications a monodisperse colloidal solution is ideal. Methods of size characterization include Transmission Electron Microscopy (TEM), Dynamic Light Scattering (DLS), and Electrophoretic Mobility Measurements to name a few[6, 8]. Although TEM can provide shape and size distributions, sample preparation requires that samples be dried on a metal grid and cannot be analyzed in solution. DLS uses curve fitting algorithms that while useful for determining mean particle diameters are not ideal for polydisperse colloidal solutions. New technologies are therefore needed to accurately determine the particle size distributions of metallic nanoparticles."

Jan 1, 2011

By Hongbo Zhu, Kun Yang, Jingyan Jia, Jinhui Peng, Libo Zhang, Yi Xia

"Titanium dioxide is broadly considered as the most potential useful photocatalytic material. In this work, titanium dioxide was synthetized by microwave solid-state method and characterized by thermogravimetry-differential scanning calorimetry (TG-DSC), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The result demonstrates that through microwave solid-state synthesis, we can obtain uniform size and anatase TiO2 photocatalyst, with the precursor being Ti(C2O4)2·2H2O. And its degradation kinetic parameter of MO can reach to 0.21232.IntroductionSince Fujishima and Honda found the photovoltaic property of titanium dioxide TiO2 [l], it has been widely used in the field of pollutant degradation, virus killer and environment protection [2-5]. Compared to other semiconductors, TiO2 has the advantage of low toxicity/cost, chemical stability, excellent photocatalytic activity, and long lifetime of electron/hole pairs, thus it is considered to be a most potential useful photocatalyst material [ 6]. Solid-state synthesis of oxide nanoparticle is a new method developed in recent years, which not only overcomes the shortcomings of easily aggregation existing in traditional hydrometallurgical process, but also fully demonstrates the unique technologic advantages of without solvents, high yield, easy control, less environmental pollution in solid-state reaction [7-11]. Researches show that the new method of microwave synthesis shows a lot of advantages such as fast reaction rate, efficient, high purity of product, uniform morphology, energy-efficient, and nonpolluting [12-15].In this work, we associated microwave heating and solid-state synthesis to prepare TiO2 photocatalyst material. Its photocatalytic activity was studied in the degradation of MO queous solution. Meanwhile, the formation process as well as the crystal structure and morphology of the synthesized powders were characterized by means of chermogravimetrydifferential scanning calorimetry (TG-DSC), X-ray diffractometry (XRD) and scanning electron microscopy (SEM) techniques."

Jan 1, 2014

By Markus Reuter, Antoinette van Schaik

In this paper the link between process metallurgy, classical minerals processing, product centric recycling and urban/landfill mining is discussed. The depth that has to be achieved in urban mining and recycling must glean from the wealth of theoretical knowledge and insight that have been developed in the past in minerals and metallurgical processing. This background learns that recycling demands a product centric approach, which considers simultaneously the multi-material interactions in man-made complex ‘minerals’. Fast innovation in recycling and urban mining can be achieved by further evolving from this well developed basis, evolving the techniques and tools that have been developed over the years. This basis has already been used for many years to design, operate and control industrial plants for metal production. This has been the basis for Design for Recycling rules for End-of-Life products. Using, among others, the UNEP Metal Recycling report as a basis (authors are respectively Lead and Main authors of report), it is demonstrated that a common theoretical basis as developed in metallurgy and minerals processing can help much to level the playing field between primary processing, secondary processing, recycling, and urban/landfill mining and product design hence enhancing resource efficiency. Thus various scales of detail link product design with metallurgical process design and its fundamentals.

Jan 1, 2014

By Dean Ilievski

Mathematical modelling of the precipitation process requires that the kinetics of crystal growth, nucleation and agglomeration be known: This paper reviews the current state of knowledge on these precipitation sub-processes (ie. growth, nucleation and agglomeration) and describes a number of experimental techniques for estimating their kinetics. The experimental methods used to generate the precipitation data and the data analysis techniques used to extract the kinetics information from the data are discussed separately. There is no universal "best" technique for determining the kinetics. However, studies on multi-crystal systems are more reliable for modelling purposes than are single crystal studies. The selection of a technique will depend on which sub-processes are present. A problem with all kinetics studies is that there is generally a large uncertainty in the estimated kinetic parameters. This stems from the scatter in the experimental data being further propagated by the mathematical techniques used to extract the kinetic parameters.

Jan 1, 1996

By O. E. Omotoso

This study is part of an ongoing investigation to understand the mechanism of stabilization/solidification of hazardous chromium wastes in ordinary Portland cement (OPC). Tricalcium silicate (C3S*),a major component of OPC is mixed with reagent grade Cr(lll) and Cr(VI) solutions, to simulate complex cementiCr waste systems. Scanning electron microscopy (SEM) and energy disperse spectrometry (EDS) were employed to provide microstructural and chemical information. Transmission electron microscopy (TEMlEDS), apart from complimenting the SEM, was used to probe the distribution of Cr in the hydration products of C3S and to provide crystallographic information. 29Si MAS NMR (magic angle spinning - nuclear magnetic resonance) Was used to characterize the influence of Cr on the hydrated silicate structure.

Jan 1, 1995

By H. H. Law

Large amounts of waste material in the form of flue dust are generated in the operation of copper smelter furnaces. As a result of increasingly stringent disposal, it has become important to develop methods for treating such metallurgical wastes to extract metals and convert them into salable products. A two-step closed-loop hydrometallurgical process, has been developed: (1) extraction with sulfuric acid removes about 90% of zinc and decreases the dust volume by 50%; (2) extraction with hydrochloric acid dissolves the lead and further decrease the dust volume by 75%. A process scheme for generating salable products is proposed.

Jan 1, 1992

By S. M. Copley, M. Yankova, E. Y. Yankov, J. A. Todd

"Nanophased coupled growth structures, with spacings of -10 nm, have been observed in banded microstructures produced by laser melting hypoeutectic Ag-Cu alloys. These coupled growth structures comprised a Cu-rich phase of width - 1 nm and a Ag-rich phase of width - 9 nm. In this paper, microstructural observations of nanophased coupled growth structures in hypo eutectic AgCu alloys are presented. Laser beam velocities for the transition from banded to microsegregation free microstructures are modelled and compared with experimental values. Models are presented to show that, at a critical undercooling, initial growth of a Ag-rich, metastable, extended solid solution is rapid but slows to a halt as copper is partitioned into the liquid at the solid/liquid interface. Following nucleation, the coupled growth structure then grows until the partitioned copper is consumed, at which point growth of the Ag-rich solid solution is again accelerated. This cycle then repeats resulting in banded microstructures comprised of 750 nm of the Ag-rich extended, metastable solid solution, followed by 250 nm of the coupled growth structure.1. Structural Studies of Laser Melted and Resolidified TrailsPresented here are observations of laser melted and resolidified trails in Ag-Cu alloys obtained at beam velocities ranging from 0.7 to 34 cm S·I. When the laser beam is scanned along the surface (positive x-direction) with a velocity Vb a melt pool with the shape given in Fig. 1a moves with the beam. The isotherms move with the velocity, Vi,. = Vb cos.p. Calculations employing the thermal analysis of Kou, Hsu and Mehrabian [1] for the beam velocities of this investigation and for the thermal properties of AgCu alloys, indicated that, .p, the angle between the isotherm velocity and beam velocity should be small at the surface where microstructural studies were made. This prediction was supported by observations of trail cross-sections. Based on these observations, and the calculations which include latent heat effects, the isotherm velocity for observations near the surface in our investigation was taken to be 27 cm S-I."

Jan 1, 1994

By K. G. Wang, M. E. Glicksman, P. Crawford

"We formulate the mathematical solution to late-stage multi particle diffusion in finite systems. The transition from finite system behavior to that for an infinite system is established. Large-scale simulations are reported regarding the dynamics of phase coarsening. Even in the case of a small volume fraction (Vv = 10-4), the particle size distribution is broader than that for the well-known Lifshitz-Slyozov limit at zero volume fraction. We also report the first simulation studies of extremely low volume fraction, for which corresponding experiments, as well as other simulations, do not exist at present for comparison. However, in the case of moderate volume fractions (Vv = 0.1), the fiucutations in the volumetric growth rate of particles are extracted from our simulations. These simulations provide additional insight into the statistical nature of diffusion interactions, including multiparticle stochastics during microstructural evolution.IntroductionPredicting microstructure evolution in alloys remains one of the cornerstones of materials science. Phase coarsening is a common process in microstrucural evolution that leads to a decrease in the excess total interfacial energy of the system. The system typically consists of separate and identifiable units, or domains, such as second-phase particles distributed in a matrix. During phase coarsening, larger particles grow at the expense of small particles. Over time, this ""competition"" results in an increase in the average size of the particle population, and in a concomitant decrease in the number of particles.Particle size and microstructure of many cast alloys depend on similar coarsening processes. Indeed, properties of these materials, such as strength, toughness, ductility, and electrical conductivity, depend on the material's average particle size and particle size distribution (PSD). Understanding and controlling microstructures in two-phase systems are clearly of widespread technological importance."

Jan 1, 2001

By David R. Brosnahan

Increased Cu grades due to chalcopyrite-rich ore from The Doe Run Company&apos;s new Casteel Mine prompted a program to increase Cu recovery. Preliminary tests indicated that prohibitive quantities of FeS2 float with chalcopyrite. Point counting of mill stream samples showed that locking was not a major problem, although grinding to finer particle size enhanced the floatability of both chalcopyrite and marcasite. Backscattered electron images and microprobe analyses of FeSz minerals revealed the presence of Pb which appears to occur as solid solution in marcasite, and as a sub-micron particulate Pb phase in pyrite.

Jan 1, 1987