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By M. Friák, L. G. Wang, M. Šob, V. Vitek

"The paper gives an account of applications of quantum-mechanical (first-principles) electronic structure calculations to the problem of theoretical tensile strength in metals and intermetallics. First, we briefly describe the way of simulating the tensile test and the electronic structure calculational method. Our approach is then illustrated on calculations of theoretical tensile strength in W, NiAl and transition metal disilicides MoSi2 and WSi2 with C11b structure. In Wand NiAl, we consider uniaxial tension along [001] and [111] directions. Although tungsten is elastically nearly isotropic (C44 = C”), theoretical tensile strength exhibits a marked anisotropy (oth/001 = 29 GPa, o'th/111 = 40 GPa). Calculated results compare favorably with experimental value of 24.7±3.6 GPa obtained for tungsten whiskers grown along the [110] direction. Similarly, in NiAl, the 'hard' orientation [001] differs very significantly from the [ill] orientation (oth/001 = 46 GPa, oth/111 = 25 GPa). This anisotropy is explained in terms of higher-symmetry structures present or absent on the calculated deformation paths. In disilicides, the theoretical strength is calculated for [001] loading (oth/001 = 37 GPa and 38 GPa for MoSi2 and WSi2 , respectively). The role of relaxation of internal structure parameter is discussed and changes in bonding conditions during the tensile test are analyzed.IntroductionIn most engineering applications, the strength of materials is limited by the presence of internal defects. If there were no defects, then, for example, the tensile strength could be several orders of magnitude higher and its value would be comparable with that of shear modulus. Therefore, the strength of ideal (defect-free) crystal represents an upper limit of attainable stresses, which is called the ideal strength. While it may not be possible to achieve the ideal strength in practice, it is not possible to exceed it. However, the ideal strength is already approached in situations which are technologically relevant. These include the low-temperature deformation of inherently strong materials, such as diamond, Si, Ge and some of the transition-metal carbonitrides, deformation of whiskers, nanoindentation of materials with low defect densities, hardened thin films and coatings etc. The ideal strength sets the limits of elastic stability of a solid. Its knowledge is useful for estimation of the ideal work of fracture stresses needed for homogeneous nucleation of dislocations and for modelling of crack propagation."

Jan 1, 2001

By Akira Yazawa

In the field of pyrometallurgy, the equilibrium evaluation has recently become easy by use of thermodynamic software, but it is strongly desired to estimate the amounts of non-equilibrium minor components to simulate practical processes. However, simple physico-chemical technique can not be applied to evaluate practical non-equilibrium components for many reasons. As an engineering solution for postulated equilibrium system, the activity coefficient is modified and introduced as the simulation parameter referred to as the "adjustment coefficient." This modified thermodynamic calculations were adopted to various sulfide roasting processes where many solid phases are participating and the system is not necessarily in equilibrium. Successful simulation was realized by assigning suitable adjustment coefficients for minor components which form a pseudo solid solution in the calcine. Some examples from sulfation roasting and dearsenizing roasting were discussed. In the smelting system, the loss of copper in slag is caused by equilibrium and non- equilibrium reasons, that is, chemical dissolution and entrainment of copper in slag. The total copper content of slag was simulated by use of the adjustment coefficient for entrained copper.

Jan 1, 1998

By Hiroshi Hashimoto

For the application of sodium carbonate slag treatment to product high purity copper on an industrial scale, the counter-flow batch process that reduces the amount of utilized slag is proposed from the viewpoint of the post-treatment of slag. Based on the distribution ratios of several impurities between the slag and molten copper determined previously, the effectiveness of this process is discussed using a mathematical model and confirmed experimentally. According to the model, the slag consumption to remove Sb to a required level in case of the counter-flow batch process with 3 reactors is calculated to be around 30 % of that in the case of an ordinary batch process, where pure sodium carbonate is used as a slag at every stage.

Jan 1, 2003

By Gang Qi

The solubility of nitrogen in pure molybdenum was measured over the temperature range 2173 to 2473 K and up to one atmosphere (101 kPa) of nitrogen gas pressure. Both thermochemical and kinetic aspects of this phenomenon were considered in this study. The solution of nitrogen in molybdenum may be expressed by the reaction 1/2N2(g) = {N} (Mo,s), for which the standard Gibbs energy is given by the expression {A}G° = 78,500 + 27.36T Joules/g atom N. The formation of molybdenum nitrides, specifically Mo2N, was considered. Attention was also focused on the mechanism of nitrogen solution in molybdenum. Estimates of the diffusivity of nitrogen atoms in solid molybdenum were derived from the kinetic data.

Jan 1, 1991

By Alicia E. Ares

316 L Stainless Steel samples were solidified directionally under conditions which produced the columnar to equiaxed transition. The position of the transition was located in each sample and the distance from the bottom of the ingot was measured. During solidification the distribution of temperatures were measured by means of thermocouples located strategically. From the measured temperatures the following parameters were derived; the local temperature gradient, the cooling rate and the velocities of the liquid and solidus fronts. Comparing the location of the transition and the values of these parameters it was found that the temperature gradient reaches negative values of as low as -13.44 "C/cm, and velocities of the fronts of around 0.1 cm/s. Also, a supercooling of 5.81°C were measured which was associated with the supercooling for the nucleation and growth of the equiaxed grains ahead of the columnar front. In addition the primary and secondary dendritic spacing was measured in both regions. The spacing was compared with the predictions from available models. The results are presented and discussed in the frame of the results obtained for other alloys

Jan 1, 2002

By Willem P. C. Duyvesteyn

A novel hydrometallurgical process for Escondida copper concentrates has been developed by The Minerals Laboratory of BHP. The Escondida Process consists of concentrate leaching, solution purification, electrowinning and residue flotation. Part of the copper will be sold as high grade concentrate and part as high purity SX-EW copper. Contrary to previous efforts for the development of a hydrometallurgical process for copper concentrates, this patented process does not advocate the total dissolution of copper. It only aims for the copper that is readily soluble in a mildly oxidizing environment with an ammoniacal or acidic lixiviant. Both lixiviants were studied, but ammonia was preferred because of fast kinetics at ambient temperatures and pressures. By controlling the oxidation potential, the formation of sulfate ions and, consequently, of an ammonium sulfate byproduct, is precluded. These mild leaching conditions also prevent the dissolution of unwanted impurities and result in the production of ultra-high purity electrowon copper. Solution purification is carried out by solvent extraction with LIX-54. The very high loading capacity of this organic results in a compact SX circuit, consisting of two loading, one scrubbing, and one stripping stage. As the organic is selective for simple copper ions, the copper amine complex is broken down and free ammonia is regenerated and recycled for leaching. High purity copper cathodes are produced in a conventional sulfuric acid based electrowinning system. One scrubbing step is needed to separate the ammoniacal circuit from the acid circuit. Limiting copper dissolution to less than 50% also provides an opportunity to produce high grade concentrates by residue flotation. Copper recoveries in excess of 98% with precious metal values reporting to the final concentrate can readily be obtained. Complete breakdown of the copper mineral- pyrite middlings results in a final concentrate grade that can be even higher than the original feed material. The Escondida Process also provides an opportunity to accept lower grade copper concentrates producing improved copper recoveries in the mill and yet high quality concentrates for marketing. The Paul E. Queoeau International

Jan 1, 1993

By Satu Jyrkönen

A single-particle laminar-flow technique was used to study reactions of sulfidic nickel particles. The studied materials were three natural nickel concentrates and four synthesised nickel mattes. The variables of the experiments were the gas preheating temperature (500 - 1300°C), the composition of the reaction gas (N2 + 0 - 75 vol-% 02) and the ,particle size of the feed. Chemical analysis of the particles was used to determine the oxidation degree of the materials, and optical and scanning electron microscopy were used to detect alteration in their morphology, internal composition and structure. General reactivity of the materials was monitored by the extent of sulfur removal. The reaction mechanism of the studied materials was found to depend primarily on the materials composition as well as oxygen content of the reaction gas.

Jan 1, 1998

By E. Salinas Rodríguez, I. Rivera Landero, E. G. Palacios Beas, J. Hernández Ávila, E. Cerecedo Sáenz, M. A. Mesinas Romero, M. I. Reyes Valderrama

For this study, a sample of 5 g of copper powders obtained by grinding printed circuit boards of computers fixe to 50 mesh (270 μm) according Tyler® series was used. This sample was wholly characterized by XRD, SEM–EDS and AAS. The leaching medium used wasO2S2O3 2. From the evaluated variables it was obtained an apparent order of the reaction of n = 2.34 s−1, whereas according the effect of partial oxygen pressure it was obtained an apparent order of reaction of n = 0.9516 and the activation energy of system was of 6.5 kJ mol−1, the results so achieved suggest a transport control to the solid–liquid interface. Under certain work conditions such as: S2O3 2 ¼ 0:5M, 500 mL, 750 min−1, P/PO2 = 1 atm, 338 K, 5 g of sample and 9000 s of reaction time, it is possible get up to 97.35% of leached copper.

Mar 1, 2017

By I. Gaballah

Cadmium is toxic to plant, animals and humans. The council directive of the European Communities No 8315 13lEEC has fixed an upper limit of 200 ppb for the release of cadmium in industrial effluents. The conventional method of neutralization/prccipitation ( NIP ) is inefficient to reach this limit. The objective of this study is to test the efficiency of the trees modified bark to remove cadmium cations from industrial effluents after the conventional treatment by NIP. Laboratory scale tests with synthetic solutions show that the cadmium removal depends upon pH and initial concentration. About 99.9 %, 99 % and 96 % of the metal are removed from synthetic solutions containing 10, 100 and 1000 ppm respectively. Pilot plant trials ( 1 m3 ) with an industrial effluent bearing about 500 ppb of cadmium lead to the almost complete elimination of the cadmium ( final concentration is lower than the analytical detection limits < 20 ppb ).

Jan 1, 1994

By Z. Zhang, R. G. Reddy

The viscosities of industrial lead slags with various compositions were measured as a function of temperature. It was found that viscosities of lead slags decreased with increasing temperature, and the plots of ln(11) vs. 104tr followed a linear relation over the reported ranges of temperature. Using the data of this study and available other related data from the literature, a viscosity expression was developed as a function of composition and temperature. The calculated results using this viscosity expression are in good agreement with the measured data. The composition dependency of viscosity of lead slags is discussed.

Jan 1, 2000

By Mansoor Barati, Yindong Yang, Yonggang Wei, Bo Li, Alexander McLean

Reduction roasting followed by magnetic separation is an important method for treating laterite nickel ores. In this work, garnierite type laterite ore from Yunnan province in China was reduced by methane under different conditions followed by magnetic separation to obtain the ferronickel concentrate. The phase and microstructure transformations of garnierite in the reduction process were investigated using XRD and SEM-EDS. The experimental results showed that reduction temperature from 873 to 1173 K had only a small effect on content and recovery of nickel and iron. The content and recovery of nickel and iron in the concentrates increased slightly with prolonging reduction time. In addition, the nickel and iron content decreased with increasing methane concentration, but the recovery of nickel and iron increases. A decrease in the iron content and recovery were observed when the dosage of sodium sulfate varied from 5 to 20% at a temperature of 1073 K and reducing time of 90 min, while the nickel content and recovery gradually increased.

Mar 1, 2018

By R. E. Moore

The lining systems currently in use in BOF furnaces, certain steel ladles, and the slag line of electric are furnaces were developed during the late seventies through the mid-eighties using a trial and error method of combining aggregate, carbon sources, additives and binders. They are currently based on magnesia, graphite, metal additives and resin binders, the selections of each being tied to the anticipated intensity of the use conditions. The general functions of the respective constituents are well appreciated, however, there is still a great deal that is not known about how the socalled antioxidants protect the graphite nor how impurities from the graphite and the aggregate enter into the wear processes. In a simplified assessment of wear processes, it appears that if the deoxidized layer can be kept very thin, less than 810 mm in depth, and if the viscosity and quantity of the matrix glassy phases can be controlled to resist erosion of the deoxidized layer, lining life can be maximized for the various applications. This paper will discuss the characteristics of the starting materials systems currently being employed for applications requiring a deoxidation function to realize extended wear. It will not attempt to explain all the complex interrelationships between the respective constituents but will point to the potential for improvements through the use of improved constituents.

Jan 1, 1991

By May Nyman

Due to the vast diversity of chemical media in which metal separations are executed, a wide range of ion separation materials are employed, This ,results in an ongoing effort to discover new phases with novel ion exchange properties. We present here the synthesis of a novel class at, thermally and chemically stable microporous, niobate-based materials. Ion exchange studies show these new phases are highly selective for Sr2+ and other bivalent metals.

Jan 1, 1999

At its Copper Cliff Smelter, Inco Limited processes a bulk copper-nickel concentrate in two Inco oxygen flash furnaces. The furnace matte is converted to low iron matte for further processing, and the molten converter slag is recycled to the flash furnaces. The flash furnace slag is discarded. Natural gas or coke supplies a minor proportion of the process heat requirements, thus limiting the flash furnace matte grade to the target 45% CuNiCo. Coke addition to the furnace offers a potential means of establishing a reducing barrier on the surface of the molten bath. Such a practice would be conducive to producing sulfur deficient (partially metallized) matte. At the same iron content, the iron activity of sulfur deficient matte is higher than that of regular matte. A supernatant coke barrier could, therefore, be expected to lead to higher nickel and cobalt recoveries, reduction or even elimination of magnetite furnace bottom build-up and increased sulfur elimination as SO2 in the flash furnace. Preliminary experiments were conducted in a mini plant flash furnace to investigate the effect on process metallurgy of the suggested modified scheme. This paper presents the experimental results and discusses key aspects of the possible operation of the Inco flash furnace with a coke barrier separating the freeboard from the molten bath.

Jan 1, 2003

In accordance with the new concept described in the paper presented at the TMS annual meeting in 1989, 1 a new zinc cellhouse was constructed and successfully operated. The new concept was proposed in order to reduce energy requirements and to mechanize the electrode handling in the cellhouse. Major modifications involved the use of an electrode unit consistfog of assembled anodes and cathodes with frame bodies between each cathode and anode. The space between a cathode and an anode could be halved by this unit structure. In this paper actual operation data are summarized and discussed in comparison with the calculated figures.

Jan 1, 1990

By Staia. Mariana H.

Thermochemical equilibria of the heterogeneous system Ti-N-H-CI-Fe-Cr-Mo-Ni-Mn-C were calculated by using a commercial software based on the minimization of the free energy. Equilibrium calculations were done for temperatures varying between 800" and l 100°C and an initial molar relationship between reactants, a=NJTiCI,, of 0.1 to 2. The deposition process was considered to occur at atmospheric pressure. The activities of the alloying elements of the stainless steel were considered equal to their molar fractions. It was shown that for the conditions studied the substrate is no inert with respect to the gaseous phase. The existence of liquid chlorides was predicted for temperatures between 800" and 850°C and a ratio between 0.3 and 0.9. The most important metallic chlorides which appears to be present from the calculations in appreciable quantities in the gaseous phase are iron dichloride and manganese dichloride. In the low-temperatures zone and for low initial nitrogen contents, it result that the appearance of the liquid chlorides seems that partially inhibits the production of gaseous HCI. The highest deposition process efficiency calculated is obtained at a temperature 2 900°C and a N2/TiCI, ratios 2 0.7.

Jan 1, 1995

By Shiju Zhang, Yongnian Dai, Songli Liu, Wenhui Ma

The BaZrO3 and CaO-doped BaZrO3 ceramics were fabricated at 1750 °C for melting the Ti2Ni alloys, respectively. Employing XRD, OM and SEM, the influence of CaO on the composition of BaZrO3 and the interaction between the BaZrO3 ceramic and titanium alloy was investigated. The results showed that the CaO doped BaZrO3 was consisted of CaO and Ba 1−xCaxZrO3. The grain on the surface of BaZrO3 ceramic was loose after melting, and the thermodynamic analysis indicated that the dissolution-erosion was responsible for the interaction mechanism. An amount of BaZrO 3 refractory was attached to the Ti2Ni alloy bottom after the alloy was cooled. However, no refractory was found on the bottom of Ti2Ni alloy, which was cooled down on the CaO doped BaZrO3 ceramic. CaO additive can effectively reduce the interaction between the BaZrO3 refractory and the titanium melt, indicating that it was a very promising refractory for preparing the titanium alloy.

Mar 1, 2018

By Nicholas E. Vanderborgh

Projections show that domestic coal will serve for the majority of energy supplies during the next decades. Thorough chemical cleaning of this coal can be accomplished in long-residence time, slurry-transport systems to produce high-quality fuel product. Concurrently, mineral recovery from coals will supplement existing ores. This paper describes this concept and gives preliminary engineering considerations for mineral recovery during transport operations.

Jan 1, 1982

By George P. Demopoulos

In this paper the production and stability of crystalline scorodite (FeAsO4·2H2O) is discussed both on the basis of previously published work as well as recent work performed in our laboratory. The production of scorodite, especially from arsenic-rich and iron-deficient sulphate solutions offers a number of operational advantages such as high arsenic content, stoichiometriciron demand, and excellent dewatering characteristics. In addition to hydrothermal production of scorodite the work done over the last 10 years in our laboratory has determined that it is feasible to produce scorodite by step-wise lime neutralization at 90°C. The atmospheric scorodite possesses the same structural and solubility characteristics with the hydrothermally produced scorodite. Long term equilibration tests (up to 66 weeks) in the pH range 5 to 9 and temperatures from 22 °C to 75 °C revealed scorodite to undergo slow incongruent dissolutionyielding a highly metastable nano-sized 2-line ferrihydrite phase. The equilibrium arsenic concentration with this phase was 0.35, 0.96 and 5.87 mg/L at pH 5, 6, and 7 respectively at 22°C. In the presence of gypsum slightly lower concentrations were measured, this being more pronounced at pH>7. It was tentatively deduced that a Fe-Ca-AsO4 association (in the form of a phase resembling the mineral yukonite) contributes to the lowering of As concentration. Finally thermodynamic calculations determined that scorodite is stable in the presence of ferrihydriteunder oxic conditions up to pH 6.75 at 22 °C or higher pH at lower temperature and gypsum-saturated solutions. Keywords: Scorodite, Crystallization, Arsenic, Solubility, Stability, Precipitation, Disposal, Extraction, Processing, Metals, and Environment.

Jan 1, 2005

By Joseph Gambogi

In 1998, approximately 57,000 tons of titanium metal was consumed in the form of mill products (1). Only about 5% of the 4 million tons of titanium minerals consumed each year is used to produce titanium metal, with the remainder primarily used to produce titanium dioxide pigment. Titanium metal production is primarily based on the direct chlorination of futile to produce titanium tetrachloride, which is then reduced to metal using the Kroll magnesium reduction process. The use of titanium is tied to its high strength-to-weight ratio and corrosion resistance. Aerospace is the largest application for titanium. In this paper, we discuss all aspects of the titanium industry from ore deposits through extraction to present and future applications. The methods of both primary (mining of ore, extraction, and purification) and secondary (forming and machining) operations will be analyzed. The chemical and physical properties of titanium metal will be briefly examined. Present and future applications for titanium will be discussed. Finally, the economics of titanium metal production also are analyzed as well as the advantages and disadvantages of various alternative extraction methods.

Nov 26, 1999