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By Günter Petzow, Hans Leo Lukas, Hans Jürgen Seifert

"The CALPHAD method (CALculation of PHAse Diagrams) has been extensively developed in the last 25 years and became a useful tool in materials science. Thermodynamic descriptions for the functions of state of unary, binary and ternary phases are derived by the optimization of phase diagrams. These functions are stored in computerized thermochemical databases and can be combined to extrapolate to multi component systems. Depending on special demand, the actually most advantagous presentations of the calculated results can be chosen: tables or in a clear graphical form as phase diagrams, phase amount diagrams or volatility diagrams. The method will be desribed by the system Ti-Si-C-N-O including the ceramic subsystem Si3N4-SiC-TiCi,N1_1,-C-N-O which is very important for the development of ceramic composites. The calculations give the thermodynamic stabilities of the condensed phases as function of temperature, concentration and partial pressure of different gas species. Adjusting the sintering conditions to these results the formation of unfavourable compounds or liquid phases can be suppressed.IntroductionThe CALculation of PHAse Diagrams (CALPHAD-method) of multicomponent systems provides the possibility to plan experiments very efficiently and avoid the experimental trial and error approach for the development of materials. The main problem for best use of calculated results is their interpretation with regard to the specific applications under consideration. Tables give the exact quantitative data for the treated phenomena. However, most important to make best use of these thermodynamic data is their graphical representation especially designed for the solution of specific problems, scientific as well as application oriented. Only well chosen graphical representations support a comprehensive understanding of the thermodynamic interrelationships and the transfer to the problem."

Jan 1, 1996

By T. Wang, R. G. Reddy

"The corrosion of stainless steel SS316L in a low melting point novel LiNO3-NaNO3-KNO3- NaNO2 eutectic molten salt mixture was investigated at 695K. After long-term isothermal dipping corrosion experiments, the SS316L samples were analyzed using scanning electron microscopy (SEM) equipped with energy dispersive spectrometer (EDS) to determine the topography and corrosion products. Dense and protective lithium iron oxide scale formed on the surface and prevented the SS316L sample from further severe corrosion. Therefore, SS316L is considered to be suitable construction material for solar thermal energy storage materials containers.IntroductionMolten salt mixtures have been considered as potential candidates for thermal energy storage and heat transfer media in solar energy applications. To apply the molten salt in the energy transfer process, the standard pipes made of stainless steel must be utilized to carry the molten salt mixtures in parabolic trough system of solar power production. The pipes encounter continuous flow of hot and cold molten salt every day. Thus corrosion of stainless steel in molten salt mixtures becomes extremely essential for the long-term utilization of the thermal energy storage media. The corrosion of passivity materials inside high temperature molten salt systems have been studied which gives fundamental understanding of basic mechanism about the corrosion process [1-8].The corrosion behavior of Fe-Ni-Cr alloys in an equi-molar LiNO3–NaNO3–KNO3 mixture was studied [9]. According to the XRD analyses, the major phases in the oxide scales were identified as LiFeO2, Fe3O4 and Cr2O3. A HITEC® salt mixture (NaNO3–NaNO2–KNO3) was also tested as a corrosion medium for stainless steel [10] and the corrosion rate was found to be affected by the protective oxide layer. In most cases, the alloys having more than 10wt% chromium show high resistance to corrosion in molten salts."

Jan 1, 2014

By G. C. Yao

Iron and silicon impurities can form needle and branch shape intermetallie compounds in molten aluminum when there is no manganese. It is difficult to separate them from molten aluminum by electromagnetic separation. The Fe-Si-AI and Fe-AI intcrmetallic compounds were transformed into Mn-Fe-Si-AI and Mn-Fe-AI compounds by the addition of manganesc into molten aluminum, In molten aluminum the morphology of these intermetallic compound particles is lumpish and spherical. Migration resistance of these impurity particles is small, which is beneficial to separation. FeSiMnAl4 and FeMnAl6 arc paramagnetic. These impurity particles can be moved by magnetic force and can be separated from the molten aluminum.

Jan 1, 2003

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 Cheng Pan, Xuewei Lv, Guibao Qiu, Chenguang Bai, Meilong Hu

"Physic-chemical properties of slag at high temperature play an important role in the pyrometallurgical process of production of ferronickel alloy. It determines the operation efficiency, metal recovery ratio, energy consumption and the distribution of elements like S and P between the slag and metals. In the present work, the effect of MgO content in the slag on melting features and viscosity of the slag was investigated. The MgO content in the SiO2-CaO-MgO-Al2O3 -FeO in the quinary slag system varied from 14.5% to 22.5%. The results shown that all slag samples begin to softening at the same temperature, the softening temperature, melting temperature, flowing temperature decrease with the increase of MgO content when the MgO content is in range of 14.5 and 20.5 pct mass, and when MgO content up to 22.5 percent, the temperatures increase sharply. Besides the inflection point temperature of viscosity-temperature curve increase with the increase of MgO when the MgO content is in range 16 and 22.5 pct mass.IntroductionNickel is very important to modern society, without it, we would not be able to share many things in our daily life, such as airplanes, computers and many stainless steel appliances in our homes and workplaces1.. It is the essential element of the stainless steel making, and about 65% of the nickel consumed in the world is used to make stainless steel2., so with the increase of stainless steel, the nickel production and demand has continued to increase3.Nickel is produced from two distinct ore types: nickel sulfide deposits and oxide nickel laterite deposits. The great majority of world’s known nickel resources are contained in laterite deposits3.. The laterite ores are normal classified into two groups: the high-iron laterite ore and high-magnesia laterite ore1. Typical composition of high-magnesia laterite ore is in the range 1-3%, and these ores are suitable for pyrometallurgical process to produce ferronickel4."

Jan 1, 2012

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 H. Y. Sohn

The ignition and combustion of chalcopyrite particles under suspension-smelting conditions, in which the particle-particle interaction is neglected, has been analyzed by considering the intrinsic kinetics of oxidation and heat and mass transfer between the particle and its surroundings. Reasonable agreement has been obtained between the calculated results and experimental results from a laminar-flow furnace reported in the literature. This computation- al procedure has further been applied to flash-smelting conditions. Under suspension-smelting conditions (Sh = Nu = 2), chalcopyrite particles ignite at around 960 K. The effects of various parameters, such as oxygen concentration, particle size, and gas temperature, have also been evaluated. Comparison between calculated results in this work and experimental observations indicates that SO is the important gaseous product that forms at the surface of the particle.

Jan 1, 1993

By P. Rooney

In due course, new smelters will have to be installed in order to meet the increasing worldwide demand for copper. This paper presents the results of a study made for the purpose of identifying the most desirable countries in the world in which to locate a new smelter. Both sociopolitical and economic factors were taken into account. Criteria developed and methods used to assess each possible location are described. The study indicated that the most interesting potential locations are Canada, -Chile, Portugal and the USA for new copper smelting complexes.

Jan 1, 1983

By J. A. Bakken

Thermal plasmas are interesting for a wide range of metallurgical and chemical processing applications. The 300 kW experimental reactor PRESS, which has been in use since 1987, is operated in the transferred arc mode with three or one plasma torches . Tests include remelting of silicon fines and production of ultrafine silica. Work on a novel three stage process for production of silicon metal is under way. A 1:1 model of the plasma reactor is used to measure the wall heat flux distribution calorimetrically. The cold walls of this model are divided into several water-cooled sections. The same plasma torches as in the real hot-wall reactor are used. In parallel to the experiments and calorimetric measurements theoretical work is done on numerical modelling of one and three transferred arcs. A modified version of the flow simulation program FLUENT from Creare Ltd. is used.

Jan 1, 1991

By Michael A. Krstich

A soil washing pilot plant to treat soils at the U.S. Department of Energy (DOE) owned Fernald Environmental Management Project (FEMP), was designed based on extensive bench-scale testing. The system's design incorporated a combination of physical separation and' chemical extraction processes and was tested on two soils. The textural composition of the two soils was approximately 20 percent sand, 60 percent silt, and 20 percent clay. Since this grain size distribution was not considered optimum for physical separation techniques, thesoil washing pilot plant had to be designed with selected equipment to provide specific soil size fractions during processing operations. A trommel, vibrating screen deck, centrifuge, and attrition scrubber were used in the system to selectively separate specific soil size fractions at 4.75, 2, 0.3, and 0.02 millimeters (mm). The trammel used high pressure water [1000 pounds per square inch (psi)] during the initial step of the process to reduce soil aggregates to single grain composition, separate out greater than 4.75 mm gravel, and dislodge chemical contaminants from the individual soil particles. The vibrating double-screen deck provided 2 - 4.75 and 0.3 - 2 mm soil fractions that, when combined, averaged greater than 75 percent solids for both soils. The centrifuge was designed to take the less than 0.3 mm soil slurry from the screen deck and produce a particle size of 0.02 mm. The centrifuge produced a high solids stream that averaged greater than 70 percent solids for both soils. These 0.02 to 0.3 mm soil solids from the centrifuge were combined with the 0.3 to 4.75 mm soil solids from the screen deck and processed through the attrition scrubber. The data collected from the pilot-plant operation was used to aid in the design of a full-scale system and was instrumental in formulating full-scale process operations and the selection of equipment.

Jan 1, 1995

By C. E. Abbey

Cobalt, iron and manganese play various roles in copper electrowinning using lead–calcium–tin alloyed anodes. Cobalt catalyzes electrochemical water decomposition resulting in lower anode potential and reduced corrosion rates. Iron reduces cathodic current efficiency, but is used to reduce higher oxidation states of manganese that oxidize organics in solvent extraction. Manganese also produces anode scale and is generally considered a problematic impurity. The effect of the combined interaction of these three metal ions on the anode potential has not been quantified yet. The current work used a three factor, two level, three replicate central composite design of experiments to analyze the effects and potential interactions among cobalt, iron and manganese. The experiments consisted of chronopotentiometric analysis to assess anode potential after 24 h of operation. Higher [Co], lower [Mn] and either high or low [Fe] yielded lower anode potentials. Two regression models were developed to predict anode potential as a function of [Co], [Fe] and [Mn]. A method to estimate electrical energy consumption for copper electrowinning is also presented.

By Ji-He Wei

The ESR of Cu-Cr-Zr alloy has been experimentally investigated. The remelting experiments have been carried out with different slag fluxes in the Cal, + Nal, CaF2 + ZrO2 and CaF2 + NaF + ZrO2 systems on an ESR furnace of 25kg capacity; using a water-cooled copper mould of 96.5 mm diameter, with the forged square bar electrodes of 50x50 mm2. The slag amount was taken to be 1.5 kg. The remelting current and voltage used were 1600-1800A and !5-25K, respectively. The influence of the slag composition on the stability of the remelting process and the losses of alloying elements (2r and Cr) has been considered and examined. The technologies of hot working and heat treatment of the ES ingot have been described and discussed. Some physical properties of the slag in a CuF2 + NaF + ZrO2 system and the remelted Cu-Cr-Zr alloy have been determined. The results indicated that with the slag flux of CaF2 + NaF + l0 mass % ZrO2 and the other operation parameters employed, a high quality ingot of Cu-Cr-Zr alloy may be obtained at the considerably high yields of Zr and Cr by means of ESR. For the remelted Cu-Cr-Zr alloy with a specified composition of 0.5 mass % Cr and 0.1 mass % Zr, the appropriate electrical conductivity, hardness and softening temperature are as high as 45-46S/m, HRB 82-84 and 550°C. respectively. The properties of the Cu-Cr-Zr alloy products are in accordance with and superior to the requirements and specifications of ISO5l82-l99l(E).

Jan 1, 2000

By N. B. Gray, I. F. Taylor

"Gas injection to promote chemical reactions or mixing is a feature of many metallurgical processes. Often the aim of gas injection is to bring about a chemical reaction between the gas and liquid but most of the past physical and mathematical modelling work has ignored the influence of such reactions. In the work reported here, cold model studies have been conducted in which gas reacts with the liquid into which it was injected. The rate of liquid mixing has been measured as an indication of the mechanical energy transfer. It has been found that gas generated chemically within the liquid is significantly less effective at promoting mixing than the equivalent volume of inert gas. The relative ineffectiveness of chemically produced gas is thought to be due to smaller bubble sizes in comparison to the inert gas case. Small bubbles characteristic of chemically generated gas move with low slip velocities relative to the liquid and lead to different turbulence generation mechanisms.IntroductionIn processes such as steelmaking, copper conversion, bath smelting and ladle steel finishing gas is injected into liquid metal where it reacts chemically or simply serves as a source of agitation. An understanding of fluid flow phenomena in such situations is an essential pre-requisite to the calculation of process intensity and the optimisation of vessel productivity. Traditional physical cold modelling approaches to prediction of liquid flow in such situations are now often augmented by the techniques of computational fluid dynamics. Even with the availability of numerical modelling techniques cold physical models continue to have an important role for validation because it is generally difficult to obtain quantitative data from high temperature processes.Almost all previous cold modelling work has been based on the injection of an inert gas into water or some other non-reactive liquid. Such models do not include the significant increase in gas volume inherent in some processes. For example the oxidation of carbon in steelmaking leads to a twofold increase in molar gas flux through the reaction:"

Jan 1, 1996

By Barry Welch, Kai Grjotheim

"The capital intensive nature of the present process for aluminium smelting, the low productivity per unit reactor, and pressure to reduce the electdcal energy demand have motivated the search for an alternative process. Optional routes include carbo-thennal reduction of alumina (using an alloy phase immediate), chlorination followed by electrolysis of aluminium chloride, and electrolytic decomposition of alumina using inert electrodes. Materials performance and reactor design constraints have been a major limitation for alternatives. However parallel research has led to considerable advances in the process efficiencies and scale of both the Bayer process and the Hall-Heroult cells.Future development of alternatives is dependent on breakthroughs in Materials Science such as the development of stable conducting anodes and stable wettable cathode materials. However if successful it is probable that some spin-offs will be retrofitted to existing cells. Therefore the basic Hall-Heroult technology will continue as the dominant process for at least the next half century.IntroductionThe present Bayer/Hall-Heroult process for production of aluminium is just over 100 years old. Frequently, during the century of its technological development questions have been raised as to whether it is the ideal route for metal production. The questioning was particularly intense in the period between the mid-1950s and the mid-1060s when the limitations of the Hall-Heroult electrolytic stage were evident. Then the cells were only 30 to 35 % efficient with respect to the utilisation of the hydro-electricity (requiring 16 18 kWh/kg, thus making it strongly dependent on cheap electrical energy), while the size of cells being installed were 80 to 130 kA. Hence the process was capital intensive, the productivity per reactor volume low, and the process was labour intensive (requiring about 15 man hours per tonne of aluminium). In addition, the use of pitches for Soderberg anodes and the fluoride electrolyte were creating problems through emission. At that time material science had paid little attention to the manufacture and use of carbonaceous materials or the development of alternatives that were corrosion resistant to cryolite or liquid aluminium. Hence cell lives were short - typically 600 to 1000 days - thus adding to operating costs. Thus the grass over the fence, as foreseen in 1960s vintage crystal balls appeared much greener for alternative processes."

Jan 1, 1988

By René Winand

A new process was studied at large laboratory scale at Université Libre de Bruxelles, under contract with Metallurgie Hoboken-Overpelt. A two cathodes (1m long ; 0.2 m high) channel cell was used at 2000 A/m2, with an electrolyte flow rate up to 1.8 m/sec. The main results may be summarized as follows : cathodes are electro¬refined grade in analysis ; metallographic structure and surface roughness are kept under control up to 1.3 cm (one side deposits) ; silver in cathode is controlled by CI and Br ions in solution ; organics must be used at very low concentrations (in the range of 0.1 mg/1, with a consumption of about 0.01 mg/lh).

Jan 1, 1987

By V. Yahorava

Mintek has developed a non-destructive Resin-in-Leach method for the recovery of Rare Earth Elements (REE) from phosphogypsum (PG) waste dumps. However, PG from different sources was found to be highly variable in terms of REE recovery and physical properties. Development of a pre-treatment process was initiated to improve the robustness of the current REE recovery process in order to render it effective for any type of PG. Extensive research into the mineralogy of REE associations with PG revealed that the majority of REE are trapped inside phosphogypsum clusters which inhibits their recovery. Hydrothermal treatment of PG-containing slurry was found to result in re-crystallisation of gypsum with the release of REE phases encapsulated in it. This process was tested on various PG samples and subsequent REE recoveries improved from 5 to 80%. This approach carries a large potential for unlocking value associated with gypsum dumps worldwide.

By Derek J. Fray

"In order to extend the application of fused salts in\the electrowinning and electrorefining of metals, it is necessary to maximise the current density, minimise the voltage drop and greatly increase the area of electrode surface so as to compete with the space-time yield of pyrometallurgical reactions. The various designs of electrowinning cell are reviewed and it is shown that by the application of a modest centrifugal field it is possible to reduce the anode to cathode interelectrode spacing to 4 mm whilst still maintaining a current efficiency of 85-90%.The thermodynamic potential for electrorefining is far less than for electrowinning yet fused salt electrorefining is only applied in limited cases. The reasons for this are discussed and the important design parameters evaluated. It is concluded that by using packed bed electrodes, separated by a diaphragm, the possibility of electrorefining with very low energy consumption can be achieved. Carbothermically-produced metals are always cheaper than those produced by electrolysis but suffer from the disadvantage of low purity. It is proposed that fused salt electrorefining may offer an energy efficient way of upgrading the metal. IntroductionThe majority of metals can be deposited from fused salts (1,2) but as commercial production is restricted to the more reactive elements, it is worthwhile considering the advantages and disadvantages of fused salt electrolysis as' compared to smelting and aqueous electrolysis. The advantages over aqueous extraction are as follows:1) the much higher conductivities and diffusivities result in much lower IR losses and higher current densities can be achieved at modest voltages;2) the elevated temperatures of operation result in larger exchange currents which give rapid kinetics and lower activation polarisation for the electrode reactions;3) the absence of water as a solvent means that it is not necessary to consider the evolution of hydrogen as a competing cathodic reaction. Furthermore, alkali halide salts, often used as solvents in fused salt electrolytes, have high deposition potentials;4) molten salts generally are mutually soluble and, therefore, concentration polarisation effects are minimised."

Jan 1, 1988

By Veena Sahajwalla

The cupola furnace is a coke-fueled shaft furnace used as a primary melting unit in iron foundries. Control of chemical composition of the iron tapped from the cupola is a key factor in productivity and quality control. In an effort to develop a control model for the cupola, a fundamental approach based on physical and chemical principles has been taken to describe the melting process. The behavior of oxidation of the solid charge in the stack of the cupola has been studied. Sulfidation of the charge materials by sulfur-bearing components released to the furnace gases from the coke has been described. Carburization of metal droplets of iron and of steel in separate molten streams has been characterized. Finally, reactions with alloying elements in the hearth (well) of the furnace have been defined. These reactions have been described in a computer-implemented model developed to predict the composition of the iron tapped from the cupola. The model has utilized the thermodynamics and kinetics of the oxidation, sulfidation, and carburization reactions, including temperature and physical aspects, in the various zones of the melting unit. The model predictions have been compared favorably with operating results.

Jan 1, 1992

By R. D. Lrwin, W. M. Mullins, S. Venugopa, J. C. Malas

"Physical models for acoustic emission (AE) are introduced and expressions are derived to predict AE activity from such parameters as applied stress, strain and strain-rate. These models are then incorporated into a visco-plastic finite-element simulation program, and the acoustic emission event rate generated during metal forming operations are predicted. Simulation results are presented for upsetting operations on a typical C-Mn type steel for various friction and die geometry conditions. The AE model predictions compare well with the limited available experimental results reported in the literature and demonstrate that AE signatures can be reliably simulated. The signatures predicted for metal forging are fairly insensitive to processing parameter changes. This suggests that AE event rate monitoring may not be well suited to process monitoring for forging. However, the size of the features is conjectured to influence the frequency content of the AE signals. Thus, since current simulations include only the ability to predict the number of events for a set of processing conditions, future work is required to simulate the duration and magnitude of acoustic events. Fourier analysis techniques may then be applied to investigate correlation with microstructural features.IntroductionThe open loop control system method for deformation processing design, as described by Malas et al. [1 ], consists of several steps in series to achieve the final design. The first step uses microstructure development models to determine the optimum deformation path to achieve the desired final microstructure. The second step, the process model, calculates the processing parameters required to achieve this deformation path. Finally, the metal-working system uses the required processing parameters to produce the part. Figure 1 shows this in block diagram form"

Jan 1, 1997

By Eric Klaffenbach

Valorization of slag from metallurgical industrial processes becomes ever more important as this may help optimizing and reducing the use of natural resources such as rock and sand. In view of this objective, metallurgical processes have to be analyzed in order to modify the slag composition so that it will meet the expected requirements of potential users of these resources. This paper gives the results of a thermodynamic analysis of the flash smelting process to understand the impact of operational parameters on slag chemistry and elemental partitioning in the process. It is shown that an increase of the matte grade and temperature leads to higher deportment of Pb, Zn and As to the slag. With increasing matte grade the volatilization of these elements decreases. Furthermore, the results indicate an increasing solubility of Cu and S in slag at higher temperatures.