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By W. -S. Hwang, R. A. Stoehr, P. Ingerslev

"The flow of molten metal entering complex two-dimensional foundry molds has been modeled using the Simplified Marker and Cell (SMAC) and Solution Algorithm (SOLA) techniques. The molds were for a series of four and three-spoke wheel designs. The computer calculations were compared to physical experiments in which molten cast iron was poured into C02-bonded sand molds. The metal was photographed with a high speed motion picture camera focused through a Pyrex glass window on one face of the mold. To get good agreement between the calculations and the experiments, it was necessary to accurately represent the velocity through the ingate. This was calculated by application of the Bernoulli equation to flow through the feed system. Some difficulties were experienced with mathematical instability, expecially in the three-spoke design with a narrow ingate. This was overcome by using 100% upwind differencing, and over relaxation parameter near 1.0 (i.e. no over relaxation), and variable mesh spacing.IntroductionModeling the flow of molten metal entering molds has the potential for making significant contributions to the design of feed systems. It will supply information to the computer-aided-design systems of the future that will enable the designer to optimize the placement of gates, dimensioning of passages, and designation of casting speeds. Such design criteria have generally been based on application of energy balance (Bernoulli equation) principles to flow in the sprues, runners, and gates. Indeed, this is the easiest way to determine the proper dimensions to give a suitable filling time for a casting of a given size. A number of computer programs, including one by some of the present authors, have integrated such calculations into CAD systems. l Modeling the flow of metal inside the mold cavity requires other techniques that will handle free-surface transient flow. Stoehr and Hwang reported on the application of the Marker-and-Cell (MAC) technique to mold filling problems at the previous conference in this series at Hennicker, N.H. in 1983. 2 Although considerable progress has been made since that time in improving the accuracy, stability, and convenience of these techniques, the shapes to which they were applied remained limited. Also, physical verification of the results of the calculations was limited to water models.The work to be reported in this paper was undertaken with two objectives: (1) to apply these techniques to more complex and realistic shapes, and (2) to verify the results by comparison with flow patterns observed in molten metal poured into actual sand molds."

Jan 1, 1986

In low carbon TRIP steels, the formation of carbide-free bainitic ferrite is crucial for the stabilization of austenite. Based on experimental investigations modeling the bainite reaction is examined adopting diffusional and displacive mechanisms, as well as the semi-empirical JMAK approach. Transformation tests were carried out to study the isothermal austenite decomposition into bainitic ferrite for a model steel containing 0.6wt%C, 1.5wt%Mm and 1.5wt%Si which replicates the composition of remaining austenite at the start of the bainite reaction in a classical C-Mn-Si TRIP steel. In the diffusional approach, classical nucleation theory is employed and subsequent growth of bainite plates is modeled using the Zener-Hillert theory. In the displacive approach, the autocatalytic nucleation of bairtite plates is assumed to be rate controlling. The predictive capability of all models is evaluated for temperature ranges where different morphologies of bainitic ferrite have been detected, The shortcomings and inherent challenges associated with either of these modeling approaches will be delineated.

Jan 1, 2003

By James P. Bennett, Jasper Kwong

As concerns about the environment and the disposal of industrial wastes increase, the utilization of spent refractories from electric arc furnaces (EAF) is receiving more attention. Longer service life of refractories in an EAF can be achieved by foaming MgO saturated slag. The refractory wastes removed from a melt shop can be utilized as a part of these slags. The Albany Research Center is conducting research on recycling spent basic refractory materials as EAF slag conditioners. A good foaming slag should be a creamy, MgO saturated slag, which contains some solid particles (MgO-FeO). A computer model was developed to calculate the dual saturated slag chemistry with respect to CaO and MgO, the MgO saturated slag chemistry, and the solid content in solution. The effects of C/S ratio, AhO3 and temperature on the MgOsaturated slag as calculated by the model will be discussed.

Jan 1, 2000

By J. M. Casas

This work presents the development of an ionic equilibrium model and its use to simulate the distribution and concentration of chemical species (speciation) in sulfuric acid - cupric sulfate solutions in the 0-2 pH range, 0.1-10 gpl copper concentration range and 15-45°C temperature range. The model consists of a set of equations which represent the equilibrium relationships for the ionic reactions and the mass balances for the components present in the system. The effect of ionic strength was taken into account by correcting the equilibrium constant in concentrated solutions. Several species can be formed at different pH and temperature values, the principal being: HSO-4, SO42-, CuSO4(aq), Cu2+, and H+ in order of increasing solution acidity. Simulations show that concentrations are highly dependent on pH. The sulfuric acid speciates mainly as bisulfate ion (HS0-4) and hydrogen ion (H+) at pH values lower than 1. The model presented in this work can be applied to predict and analyze the solution composition in electrolytic copper processes such as electrowinning, electrorefining and electrodialysis, as well as the purification of various industrial solutions.

Jan 1, 1999

By K. Pagalthivarthi, P. V. Desai

"During solidification of alloys, many inter-related physical processes, such as melt convection, mass diffusion, heat transport, macrosegregation and melt-undercooling occur. Several research workers have studied one or more of these effects separately. To answer important questions on solidification behavior, an overall approach interrelating the processes is necessaryAs a first step toward accomplishing the overall modeling, the freezing of a binary liquid metal is examined. The various stages during freezing of the alloy are critically described to build a continuum model for the entire process. Diffusive mixture theory is used to write the conservation equations for the liquid and the mushy zones. The concept of local thermodynamic equilibrium in the presence of curvature effects is used to restrict the number of degrees of freedom within the mushy zone. Constitutive equations relating flux quantities and affinities, the governing differential equations and boundary conditions are discussed briefly for the freezing process.IntroductionA solidification study encompasses such facets as solifidication time, microstructure, macrosegregation of the solute, shrinkage effects and soundness of the casting. Influence of one or more of the coupled heat and mass transfer phenomena such as local solute redistribution, thermosolutal convection, melt undercooling at dendrite tips and heat dissipation to the ambient have all been previously examined [1-3J. Several studies have examined the individual facets of alloy solidification as isolated processses. In fact, the transport processes occur simultaneously and a comprehensive model should include their inter-relationships. In particular, some of the existing studies of the mushy zone [4-6J do not emphasize thermodynamic completeness. This work represents an attempt to develop a thermodynamically consistent model of the entire solidification process on physical grounds."

Jan 1, 1986

By Rune Gammelsmter

Turbulent chemically reacting flows are generally very complex, involving interactions of chemical, thermodynamic, and fluid mechanical processes. A combustion model based oh algebraic moment closure has been developed. The model is applicable for reaction rates where the chemical kinetics can vary from slow to fast. The effects of turbulence is taken into account by means of modifications to the well known k-e modelling procedure. The model is applied to an industrial combustion process. Calculation of furnace off-gas combustion from an aluminum reduction cell has been performed. The theoretical results agree well with experimental values.

Jan 1, 1992

By Vianey Garcia-Osorio

One of the problems in the carbothermic aluminum process is the substantial loss of aluminum compounds as vapors due to the high temperatures in the process. In order to solve this problem a Vapor Recovery Unit (VRU) is proposed. In this unit operation the aluminum vapor undergoes a series of heterogeneous non-catalytic reactions forming solid, liquid and gas products. In this work a model for the simulation of this unit was developed which includes heat and material balances as well as heterogeneous non-catalytic reactions. The model leads to a system of differential equations; its solution was implemented in Matlab giving as a result a stage-by- stage solid-fluid reaction model.

Jan 1, 2001

By N. S. Raghavendran

Based on the weld pool length and width calculations due to an empirical model (1) for submerged arc weld metal, an elegant quantitative definition of tandem submerged arc welding is established. On the basis of this theoretical consideration optimum welding parameters for joining 25 mm thick low carbon steel plate in two passes by tandem wire submerged arc welding have been experimentally found out. An assessment of the metallurgical quality of weld metal and the dependence of mechanical propenies on pool overlap has been made. Also the solution of Rosenthal (2) etc. for a moving point source of welding, which was used as a guide line in formulating the empirical model for the calculations of weld pool dimensions, is compared with the solution of empirical model for submerged arc weld pool dimensions.

Jan 1, 1990

By Pengfu Tan

One copper Isasmelt furnace has been operated in Xstrata Copper at Mount Isa in Australia since 1992. A thermodynamic model and computer program, CuModel, has been developed to model the distribution behaviors of Cu, Fe, S, O, Ni, Co, Sn, Pb, Zn, As, Sb, Bi, Au and Ag, copper loss in the slag, and heat balance in copper smelting process, matte converting process and copper continuous smelting process. The thermodynamic model has been used to model the key parameters in the control of the copper Isasmelt furnace. The effects of the process parameters on the control of the copper Isasmelt furnace have been predicted and discussed. These process parameters include SiO2/Fe, matte grade, coal, temperature, spec air of feed, oxygen enrichment, and MgO contents in slag.

Jan 1, 2006

By Ravi S. Bellur-Ramaswamy, Daniel A. Tortorelli, Robert Haber, Nahil A. Sobh

We optimize continuous quench process parameters to produce functionally graded aluminum alloy extrudates. To perform this task, an optimization problem is defined and solved using a standard nonlinear programming algorithm. Ingredients of this algorithm include 1) the process parameters to be optimized, 2) a cost function: the weighted average of the precipitate number density distribution, 3) constraint functions to limit the temperature gradient (and hence distortion and residual stress) and exit temperature, and 4) their sensitivities with respect to the process parameters. The cost and constraint functions are dependent on the temperature and precipitate size which are obtained by balancing energy to determine the temperature distribution and by using a reaction-rate theory to determine the precipitate particle sizes and their distributions. Both the temperature and the precipitate models are solved via the discontinuous Galerkin finite element method. The energy balance incorporates nonlinear boundary conditions and material properties. The temperature field is then used in the reaction rate model which has as many as 105 degrees of- freedom per finite element node. After computing the temperature and precipitate size distributions we must compute their sensitivities. This seemingly intractable computational task is resolved thanks to the discontinuous Galerkin finite element formulation and the direct differentiation sensitivity method. A three-dimension example is provided to demonstrate the algorithm.

Jan 1, 2001

By H. Aminian

Copper electrowinning (EW) is an important process in connection with the solvent extraction to produce pure and marketable copper cathodes. A phenomenological model was developed to simulate the copper electrowinning process. The simulator is used to predict the operation of the Mines Gaspe pilot plant electrowinning cells put in operation in 1996. Results confirm the potential of the simulator that would subsequently be used for student training, process optimization and assessing the performances of control strategies.

Jan 1, 1999

By J. W. A. Morris

To investigate the use of centrifugal fields in fused salt electrowinning cells, a high temperature rig has been designed, constructed and commissioned. Initially, the cell has been applied to the fused salt electrowinning of zinc. Current efficiencies of 93% have been obtained for inter electrode gaps as small as 8mm for 70mm diameter electrodes rotating at 100rpm. The construction of a semi-rigorous physical model has shown the potential exists to extend the use of centrifugal fields to the electrowinning of light metals.

Jan 1, 1994

By M. R. Jolly, J. -C. Gebelin

"A number of different types of so-called ""filters"" are used in the metal casting industries to impart some cleaning effect and flow control on the liquid metal as it passes through them. The filters range from simple planar meshes through extruded channels to reticulated foam structures and they are manufactured from a range of material going from metals to glass or ceramics. It is most common that software packages used in the industry model the filters by a simple pressure drop associated with some area fraction and permeability parameters.Recent experimental work at the IRC in Birmingham [1] has shown that filters of the same type can behave very differently depending upon the casting process in which they are employed. Modelling filter geometries for a range of different casting processes has indicated that the flow of metal and heat losses through the filters are rather complex and should be considered when using filters in the casting processes. This paper will present a number of cases of different types of filters modelled and different processes and indicate some of the sensitivities of the processes to boundary conditions imposed by the process.IntroductionFilters are commonly used in the foundry industry. The real action of the filters on the liquid metal is not really understood. Some filters are claimed to have a chemical action on the liquid metal or to be able to clean the metal by stopping the impurities or oxides that will result in inclusions in the cast part. However, some recent experiment carried out at the University of Birmingham in investment casting and results available on sand casting [2] have shown that the action of filters may be different in these two processes. As the main difference between these two processes is the mould temperature, the hypothesis of a partial solidification of the metal in the filter occurring in the sand casting process during the primary stage of the filling has been advanced, whereas there is little or no solidification in investment casting. In order to verify this hypothesis, and to reach a better understanding of how filters work, a numerical investigation of the flow and heat transfer in filters in both sand and investment casting has started at the University of Birmingham, in the framework of the FOCAST project. The FOCAST project is an EPSRC project aimed to increase the understanding of the investment casting process. Another issue is the way the simulation packages predict the influence of the filters on the metal flow. The filters are most of the time modelled as porous obstacles characterised by a pressure drop calculated from porosity and some surface ratios or proprietary coefficients. This paper will present the preliminary results of this numerical investigation. First, the different models that have been used are presented, followed by the obtained results. A discussion of these results and their perspectives conclude the paper."

Jan 1, 2001

By G. Taylor, S. Bounds, G. Moran, M. Cross, K. Pericleous

"A variety of interacting complex phenomena takes place during the casting of metallic components. Here molten metal is poured into a mould cavity where it flows, cools, solidifies and then deforms in its solid state. As the metal cools, thermal gradients will promote thermal convection which will redistribute the heat around the component (usually from feeders or risers) towards the solidification front and mushy zone. Also, as the evolving solid regions of the cast component deform they will form gap at the cast-mould interface. This gap may change the rate of solidification in certain parts the casting, hence affecting the manner in which the cast component solidifies. Interaction between a cast component and its surrounding mould will also govern stress magnitudes in both the cast and mould - these may lead to defects such as cracks.This paper presents a multiphysics modelling approach to this complex process. Emphasis will be placed on the interacting phenomena taking place during the process and the modelling strategy used. Comparisons with plant data are also be given."

Jan 1, 1999

By Evgueni Jak

Recent advances in analytical, experimental techniques, and computer-based theoretical modelling of fundamental properties and elemental processes, provide new opportunities to develop the next level of whole-of-reactor pyrometallurgical furnace models. These models have the potential to significantly improve the prediction of, and adding value to, industrial operations. In non-ferrous smelting, the starting point of these models is the development of multicomponent thermodynamic databases for gas-slag-matte-speiss-metal-solids phases supported by systematic experimental research. The whole-of-reactor-models additionally should take into account kinetic processes taking place at micro- and macro- scales, and other key factors. Examples of applications of the latest research tools and modelling approaches to analysis of industrial flash and top submerged lance (TSL) sulphide smelting processes are presented. Different levels of industrial modelling are discussed from elemental local reactions, through general and more detailed whole-of-reactor-models, to plant sections and further to whole plant operation models. Some principles for development of pyrometallurgical reactor models are discussed.

By Peter Stiaszny, Andrej Samoilov, Yuri Titovets, Gottfried Hribernig, Nikolai Zolotorevskii

"The model has been developed to simultaneously predict both transformation product portions and mean ferrite grain size from the same common · principles as a result of the austenite decomposition during any cooling path of dual phase steels. The transformation products considered are polygonal ferrite, pearlite, bainite and martensite. The model is based on the classical equations of nucleation-growth theory and also contains some empirical parameters. The chemical driving forces for nucleation and composition of elements at the phase interfaces are derived by computation thermodynamics. The empirical parameters related to the model were determined on the basis of a series of austenite transformation dilatometric curves and grain size measurements for continuous and interrupted cooling of several steel types. The model is aimed to predict phase transformation in the complex cooling conditions of the run-out table of the hot strip mill at YOEST-ALPINE STAHL LINZ GmbH as a part of the computer aided system for prediction and on-line controlling of the mechanical properties of hot-rolled strip.IntroductionThe term ""dual phase steels"" is used to refer to a steel consisting essentially of a dispersion of martensite in a fine-grained ferrite matrix. These steels are of increasing technological interest since they provide a better combination of strength and ductility than any other conventional steel sheet material. The strength is important because it offers an opportunity to produce lighter components, while good ductility is needed to permit easy forming of components. It is generally recognized that martensite plays an important role in determining the strength level of dual phase steels. A full understanding of the role played by the phases in determining such characteristics requires investigating in more detail how to optimize the martensite level of such steels, while maintaining good ductility remains the subject of continued research in the industry."

Jan 1, 2000

By Zdzislaw Miczkowski

At KGHM Polska Miedz S.A, a direct flash smelting process is used for smelting of chalcocite concentrate for the production of blister copper. The paper presents a model of complex oxidation process of single concentrate grains smelted at KGHM. The description covers main chemical reactions, phenomena of heat and mass exchange inside the grains and between a grain and the surrounding space. In the model, two zones describing the course of process inside the grain were distinguished: ? The first one, which moves faster towards the centre of a grain, both organic and carbonate carbon are freed, The process takes place without the presence of oxygen and results in an increase of the temperature in the core of the particle. ?The second zone moves slower into the grain and the rate of the movement is determined by the presence of oxygen, In that zone the sulphur is eliminated and the oxidation of the organic compounds vapours moving from deeper layers of a grain takes place. Based on the results of laboratory tests, the coefficients that describe the oxygen transportation into the grain and decide the progress in the chemical reaction were determined, The paper contains the results of model calculations for single grains reacting in environment of various content of oxygen as well as the results of model calculations for the laboratory reactor system.

Jan 1, 2003

By Zdzistaw MiGzkowski

At KGHM Polska Miedi S.A. a direct flash smelting process is used for smelting of chalcocite concentrate for the production of blister copper. The paper presents a model of complex oxidation process of single concentrate grains smelted at KGHM. The description covers main chemical reactions, phenomena of heat and mass ex-change inside the grains and between a grain and the surrounding space. In the model, two zones describing the course of process inside the grain were distinguished: ? The first one, which moves faster towards the centre of a grain, both organic and carbonate carbon are freed. The process takes place without the presence of oxygen and results in an increase of the temperature in the core of the particle. ? The second zone moves slower into the grain and the rate of the movement is deter-mined by the presence of oxygen. In that zone the sulphur is eliminated and the oxidation of the organic compounds vapours moving from deeper layers of a grain takes place. Based on the results of laboratory tests, the coefficients that describe the oxygen transportation into the grain and decide the progress in the chemical reaction were determined. The paper contains the results of model calculations for single grains reacting in environment of various content of oxygen as well as the results of model calculations for the laboratory reactor system.

Jan 1, 2003

By Du Sichen

The present paper presents the modeling of gas-solid reactions in the case of the decomposition of CaCO3, describing the reaction kinetics on the basis of heat-transfer concepts which could be compared with thermogravimetric results. In the case of solid-solid reactions, the present paper describes the model developed for describing solid-solid reactions from dynamic X-ray diffraction technique, developed by the present team. The model has been successful in explaining the formation of spinel from MgO and Al2O3.

Jan 1, 2006

By Pedro Lobarinhas

In the present work a two dimensional computational model is derived for the description of the time dependent heap leaching process. The flow inside the heap is calculated using the diffusion equations for the flow in porous media. The soil conductivity is also estimated assuming a close packed structure for the grain packing inside the heap. These equations, with appropriate boundary conditions, are solved using a time step splitting scheme. From this calculation the amount of leaching reagent in contact with the ore at any position inside the heap can be calculated and, once coupled with appropriate reaction equations, the amount of metals extracted can be computed and leaching agent concentration updated. The model is tested with available experimental data and the results have shown to be in a very good agreement. The model predicts all the transient features of the data.

Jan 1, 1999