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By Mark R. Jolly, Jean-Christophe Gebelin, Aleksander Cendrowicz

"Injection of wax patterns is the first stage of the multi-stage process of investment casting. The quality of the final casting and its dimensional accuracy is highly dependent on this stage of the process. Pattern waxes used in the industry behave in a complex visco-elastic-plastic manner. The modelling of such material behaviour is therefore not simple.In this paper a number of configurations of die will be shown in which the injection of the wax has been carried out for a range of processing conditions. Some of the dies are transparent and the movements of wax front observed can be compared with those predicted by simulation. Surface defects in final components will also be shown and compared with the location predicted by simulation software. Some discussion will be presented on the limitations of the software used and the time-scales achieved for practical use as a design tool within the foundry environment. IntroductionThis paper presents the research activities carried out at the University of Birmingham on the modelling and prediction of the behaviour of industrial investment casting waxes during the injection of wax patterns. These research activities are done in the context of a more global study of the fundamental aspects of the investment casting process, the FOCAST project. Regarding the wax injection process, the aim of the project is to achieve a better understanding of the key factors that will lead to better castings. The filling of the die during the injection has been studied. Some other phenomena such as shrinkage/warpage or creep under residual stresses are also studied, but not presented here. Two commercial investment casting waxes have been characterised in order to model their behaviour and predict mould filling and subsequent defects.This paper will present the models that have been used in our work, the simulation packages used, the experiments carried out to validate the modelling and exhibit the defects due to bad filling, and finally the numerical simulation results."

Jan 1, 2001

By James A. Warren

The phase field method has been successfully employed as both a tool to model heterogeneous materials and as numerical method for calculating the motion of interfaces and phase boundaries without explicitly tracking those interfaces. The method has been used to model a diverse suite of problems describing the microstructural evolution in materials. These models are derived from thermodynamic arguments and symmetry principles, and usually guarantee positive local entropy production for systems out of equilibrium. Descriptions of how phase field methods can be applied to the problems of solidification, grain growth, and electroplating will be presented.

Jan 1, 2001

By Yan Beygelzimer, Alexander Spuskanyuk, Victor Varyukhin

"A cellular model of the plastic deformation of polycrystalline aggregate is proposed and comprehensively described. Representative volume element (RVE) of a solid body, that is being deformed, is described as a population of interconnected units that, in turn, can consist of lower scale level units. Sliding along the various allowed sliding systems deforms simple units, which do not have an internal structure. For consideration of stress distribution within the limits of components, the approach of self-consistent field is used. Rotation of units and moment stresses connected with it are taken into account. Results of computer experiments are analyzed.1. IntroductionMicromechanical models of polycrystals are a link between the research of plastic deformation on micro and macro levels. Computer simulation of inelastic strain of polycrystals has found a great deal of interest as well. Despite the fact that this approach does not allow to obtain macroscopic constitutive relationships that are used in deformed solid body mechanics, it clarifies essential features of the phenomena in many aspects. First of all, it concerns effects stipulated by interdependence of micro-level and macro level of plastic deformation processes. Also, with the computing mechanics, instead of constitutive relationships, the adequate computer models can be used. Broad possibilities for computer simulation of various processes are opened by cellular automata approach. By means of numerical experiments, the cellular automata allows to study the macro behavior of the whole ensemble of cells depending on the local microscopic laws that define evolution of each cell and its interaction with the closest environment.We propose a mathematical model of a polycrystalline aggregate (the cellular model) based on a self-consistent scheme and on the interaction law similar to the one by Berveiller and Zaoui [1]. Our original solution is the self-similar structure of cellular automata that allows modeling of the fractal nature of real materials (Figure 1). The goals of this work are to present the major structures and relations of cellular model of polycrystal and to test this model for its adequacy as for describing known effects and dependencies. Identification of the model and its application for studying of concrete polycrystals are put aside for the future research."

Jan 1, 2001

By M Philip Schwarz

"This paper reviews the status of computational modelling of a variety of common metals reduction processes, namely the blast furnace, rotary kiln and fluidised bed, and one new process not yet commercialised, namely smelting-reduction as in the HIsmelt Process. In each case, the last decade has seen the emergence of the capability to simulate the processes using multi-phase reacting computational fluid dynamics techniques. In some cases this capability is still in the process of being developed, and the next few years will see the maturing of the modelling techniques. As they become established, it will be possible to apply them to further refine the older technologies such as blast furnaces and rotary kilns, and assist in the optimisation, commercialisation and acceptance of the newer technologies such as fluidised bed and molten bath reduction. The development of a computational fluid dynamic model of bath smelting-reduction is described in some detail to illustrate how a large number of complex and interacting phenomena can be successfully simulated within a CFD framework. IntroductionPyrometallurgical reduction processes, such as the iron blast furnace, have become increasing more sophisticated through the centuries, so that today they are often highly efficient. There are continuing pressures, however, to refine existing processes and develop new ones. The imperatives are often economic, given that the long-term trend in the price of metals is always downward. In recent times, there has been the additional need to improve the environmental impact of metal production. Given that they almost inevitably require the use of carbon, metal reduction processes are large sources of greenhouse gases, and even a relatively small improvement in efficiency can be valuable in reducing CO2 production. Local environmental issues, such as the need to control of particulate emissions, are also driving incremental improvements in equipment.In addition to the economic and environmental drivers mentioned above, new process development is also being driven by the need to process new ores, and the need to produce unrefined metal in a form more compatible with alternative routes for downstream processing. An example of the latter is the production of DR! (Direct Reduced Iron) as a feed for EAF Electric Arc Furnace) in mini-mills.Further improvement of processes that have already been honed by continual plant experimentation over many years is not an easy task. To deliver further gains in efficiency, throughput, or product quality requires a highly sophisticated tool: one such tool· is computational modelling."

Jan 1, 2001

By Oszkar Bíró, Peter Mittag, Bernhard Aigner, Stefan Pirkeri, Philipp Glttleri

"This paper considers CFD modeling of processing and melting of small metallic particles by means of electrical heating. The particles fall continuously onto a liquid metal bath which is heated by an electric arc. After melting of the particles liquid metal is tapped.The charging behavior of the particles in the supply unit as well as in the reactor freeboard is studied by means of Euler-Euler granular simulations. The flow situation in the metal bath due to gas injection and magnetic fields is calculated by combining Navier-Stokes and Maxwell solvers. The macroscopic melting process occurring during the continuous charging of the particles is studied by kinetic laws for melting reactions. The temperature field is evaluated by balancing heat sources due to Joule's heating and heat losses due to latent heat of melting as well as convection and radiation.As a result of these simulations the fully three-dimensional flow fields of particles and gas in the atmosphere is obtained. Furthermore the flow field as well as the magnetic field in the metal bath can be studied. As a main result the three-dimensional concentration field of the still unsolved particles in the liquid metal can be evaluated.IntroductionIn this paper a metallurgical process for melting small iron particles is investigated by means of CFD-simulations. In a first process step the preheated and already mostly reduced iron particles fall continuously into the reactor through a vertical tube mounted at the lid of the furnace. In a second step the particles are melted in the liquid metal bath. Meanwhile the melt is heated by electric arcs to provide the heat needed for melting the incoming particles.In Figure I a sketch of the geometry setup considered in this paper is provided. The particles fall from a height of approximately 12 meters onto the bath surface in the center of the furnace. The melt is heated by electric arcs that are placed symmetrically around the center axis."

Jan 1, 2001

By G. A. Irons, D. Guo

"The average spout height and width produced by bottom gas injection in a water model of a steel ladle were measured with an image processing technique. It was revealed that the spout height could be described by a Gaussian curve. A combined SIMPLE -VOF model was developed to simulate the liquid surface and flow. The results showed that, though the model produced reasonable velocity distributions and free surface positions, the spout height due to the dynamic head of the rising liquid was substantially lower than observed, indicating that the bubble dynamics at the bath surface play an important role in spout height.IntroductionDue to the enormous importance of gas injection and stirring in metallurgical processes, there have been numerous publications on water and numerical modeling of such vessels. The free surface of the bath has received considerably less attention, despite its importance. At the free surface there are often important chemical phenomena occurring that require a good understanding of the fluid flow; these would include reoxidation of steel, metal splash and fume formation. Furthermore, to understand the details of slag-metal interactions such as slag entrainment, metal losses to slag and the transport phenomena associated with refining reactions, it is necessary to understand the plume and spout interactions first.There have been few experimental studies of the free surface of liquid in gas-injected ladles [1- 3], and even fewer on numerical modeling. Brimacombe and co-workers [1] studied the gas void fraction in the spout region, using a double-tip electrical resistance probe. This sensor cannot distinguish between gas in bubbles about to break and gas in the freeboard. Thus, it is a matter of judgement as to the position of the free surface. Schwerdtfeger and co-workers [2] used a single probe configuration with a wire and a counter electrode in the liquid, so that the height of the continuous liquid phase was unambiguously determined. Irons and co-workers [3] measured the spout height by ultrasonic and electrical capacitance techniques. These techniques were as reliable as the resistance techniques, but were restricted to low flow rates."

Jan 1, 2001

By John ?gren, Martin Schwind, Henrik Larsson

"A new model for internal oxidation, as well as similar processes, has been implemented on computer. It is based upon a combination of random walk and cellular automata and is capable of treating 3-dimensional cases. To model diffusion, it utilises quantised units of matter. All steps of the process are included: nucleation, growth and coarsening. The effect of grain boundaries on diffusion as well as nucleation is taken into account. Further possible development is briefly discussed; especially the treatment of nucleation needs further consideration. IntroductionComplex diffusion-controlled processes may now be simulated on a routine basis when concentration varies along one co-ordinate only. One-dimensional simulations capture much of the information of interest but not all. For the case at hand, especially the spatial and the size distribution of precipitates, as well as the impact of grain boundaries, would be interesting information not accessible from 1-D simulationsSolving the full Fick-Onsager law in three dimensions does not seem feasible with the computers of today. In the model described in this article, random walk by quantised units of matter are considered. The model should be useful for a number of cases involving dispersed systems. With further development, it would indeed seem possible to simulate most types of phase transformations.Previous workWe have previously published two articles [1,2] on the new approach discussed in this work. In those articles we described the basic idea and showed, among other things, that very good agreement with an experimental concentration profile can be obtained, in a single-phase system, using independently assessed thermodynamic and kinetic data. Also, Schwind used the same random walk based concept to model coarsening [3]."

Jan 1, 2001

By John P. Hager

One possible approach for the recovery of mercury from acid plant blow-down sludge in smelters is the use of a vacuum retort reactor for the vaporization of the mercury with subsequent collection of metallic mercury in an attached condenser. An experimental study was undertaken to investigate the vaporization of mercury when present as a compound in the Hg-S-O and Hg-Se systems. A transpiration reactor was modified to operate under reduced pressure and with a continuous flow of inert sweep gas. A water-cooled cold finger was inserted into the exit end of the reactor to provide for the rapid quenching of the exit gases and the collection of the mercury. Rates of vaporization were measured at several temperatures for each compound and were generally found to be constant at a given temperature and reactor pressure. The results were used to determine the minimum operating temperature for 100% vaporization of the compound in 60 minutes. For Hg2SO4, HgSO4, and HgSO/2HgO the required temperatures. for a reactor pressure of 50 Torr. were determined to be 634°, 622°. and 603°C. respectively. For HgO, HgSe, and HgS the required temperatures were 557°. 451°. And 382°C. respectively. For HgS the rate of vaporization was also measured at a reactor pressure of 1 00 Torr. The rate of vaporization was found to be slower resulting in an increased vaporization temperature of 423°C. It was also determined that the mercury vapor present in the exit gas stream can back-react with the other gas species to a significant extent and can result in very little condensed metallic mercury. For the vaporization of both HgS and HgSe. the mercury vapor was found to have back-reacted to the extent that virtually none of the vaporized mercury was collected in metallic form. For the vaporization of Hg2S04? HgS04, and HgSO4*2HgO the amount of metallic mercury recovered varied from approximately 50% for HgS04*2HgO to approximately 10% for Hg2S04 and HgS04. Only for HgO was the recovered mercury in primarily elemental form. The application of the results to the operation of a vacuum retort and condenser system is discussed.

Jan 1, 2001

By Raj P. Singh

Lewatit TP207, a chelating resin with iminodiacetate functional group, is used for the purification of cobalt hexammine chloride solution for divalent cationic impurities (US Patent No. 5,154,757). The method is employed at commercial scale in OSRAM SYLVANIA Inc. cobalt chemical production since 1992. It is observed that after long use in the purification of cobalt hexammine chloride solution, a large number of resin beads tum black from their original beige color. The purpose of this paper was to characterize these black-colored resin beads for their ion exchange behavior. The resin sample used in this work was an exhausted production TP207 resin containing large number of black-colored beads. The results indicated that blackened resin beads can be regenerated to almost full capacity and' their ion exchange behavior for the purification of cobalt hexammine chloride solution was comparable to the new resin.

Jan 1, 2001

By David N. Hanlon

The effect of high-temperature plastic deformation of the austenitic phase (y) on the subsequent phase transformation to ferrite (a) has been experimentally investigated, and modelled using a physically-based model. The effect is of importance for steel sheet, in view of me significance of the phase transformation with respect to the eventual properties of the material. In this paper the kinetics of the y ? a phase transformation has been studied after different degrees of prior deformation. The degree of deformation is varied by applying different deformation temperatures and strain rates, and by allowing a varying extent of recovery and recrystallisation. Consequently, both dynamic and static recovery and recrystallisation have been involved. The dilatometric observations on the phase transformation have been modelled using an interface-mobility model, in which the effect of the dislocation structure is introduced as an additional driving-force term. The effect of the stored energy on the nucleation process, which appears to be affected more strongly than the growth of ferrite, is examined in terms of the classical nucleation theory.

Jan 1, 2001

By W. G. Davenport

Smelting oxidizes Cu-Fe-S concentrate to matte. Converting oxidizes this matte to metallic copper. Smelting and converting are, therefore, part of the same oxidation process. It would seem natural, then, that smelting and converting should be combined to produce metallic copper in one step. This would: (a) maximize S02 capture by restricting S02 emission to a single, continuous source (b) minimize industrial oxygen and fuel requirements (c) minimize cost. This chapter discusses one step, direct-to-copper flash smelting as it is practiced in 2000. It then uses. the matrices of this book to determine: (a) the industrial oxygen and oil requirements of direct-to copper flash smelting (b) the distribution of Cu between metal and slag during direct-to-copper flash smelting. It concludes that direct-to-copper flash smelting: (a) captures?S02 efficiently from its single continuous stream of SO2 off gas (b) minimizes oxygen/oil consumption but: (c) sends -114 of its Cu-in-feed to slag.

Jan 1, 2001

By Robert A. Medower

This paper will review the operational benefits of applying contemporary control technology to balance the blast to a cupola. Reported benefits from existing installations include reduced channelling, higher pour temperature, reduced oxygen consumption, lower coke consumption & reduced emissions.

Jan 1, 2001

By W. G. Davenport

The remainder of this book develops and uses mass and heat balances to describe steady"state flash smelting. Its objectives are to: a) describe the many ways a flash furnace operator can produce specified products, e,g. 65% eu matte, 35% SiOz slag, 1500 K (b) determine the oxygen, air, flux and hydrocarbon fuel requirements of each method (c) show how the flash furnace can be controlled to give specified products with varying feed compositions (d) suggest how the flash furnace operator can maximize profitability while producing specified products. This chapter develops the basiC heat and mass balance equations of steady-state ?flash smelting. It then adapts the equations to industrial feed materials .and products. Lastly it determines the amounts of oxygen and flux needed to produce molten matte and 35% SiOz slag from chalcopyrite concentrate in an Inco oxygen flash furnace,

Jan 1, 2001

By Stavros A. Argyropoulos, Henry H. Hu

"The assimilation of exothermic additions in liquid metals exhibit an array of unique coupled heat, mass and momentum transport phenomena. These phenomena are further complicated by the presence of a moving boundary.This paper describes a) A mathematical model which simulates the complex phenomena, and b) An extensive verification of the mathematical model. The SIMPLER algorithm was employed to solve numerically the pertinent partial differential equations. The computational results indicated that the exothermic heat of mixing led to a rapid increase in temperature around the moving boundary, which produced an enhanced convective flow in the liquid phase. The intensification of fluid flow around the moving boundary resulted in an acceleration of the melting process.Verification of the model was carried out in two contexts. The first was, in a low temperature physical model consisting of ice immersion in different sulfuric acid solutions. In this physical model, both temperature and velocity measurements were carried out. The model results were compared with experimental measurements and they were found to be in excellent agreement. The second context employed high temperatures, involving the assimilation of silicon in high carbon liquid iron. The model was also applied to predict fluid flow, heat and mass transfer for these high temperature experiments and a good agreement was obtained.In addition new dimensionless heat transfer correlations that quantify these complex phenomena will be presented."

Jan 1, 2001

By Katsukiyo Marukawa, Manabu Iguchi, Sigeta Hara, Shinichiro Yokoya, Sigeo Takagi

"A numerical analysis and water model study of the mold region of a continuous casting apparatus was performed with a novel injection concept using swirling flow in the pouring tube, to control the heat and mass transfer in the continuous casting mold.As a result, the following results were found:1) By changing swirl strength, it is easy to control the flow pattern as well as the direction of the flow.2) Uniform velocity distribution can be obtained within a very short distance from the outlet of the nozzle.3) Heat and mass transfer near the meniscus can be remarkably activated compared with a conventional straight type immersion nozzle without swirl.4) Swirl helps the superheat in the melt dissipate.S) Penetration depth of nozzle outlet flow is decreased remarkably by the application of swirling.6) For the case without swirl, the peak of the flow moves near the mold-wall with flowing down from the outlet of the nozzle due to the Coanda-effect. On the other hand, peak of the flow moves near the mold axis with flowing down from the nozzle-outlet within considerable short distance, namely axi-symmetric velocity distribution can be obtained within very short distance from the nozzle-outlet.Those findings mentioned above are very useful to control the flow pattern in the billet and bloom continuous casters."

Jan 1, 2001

By E. J. Peuraniemi

Primary copper production using suspension smelting techniques like Outokumpu Flash Smelting always causes some dust formation. Flue dust particles are formed when sulphide feed material reacts violently with oxygen inducing particle disintegration and total desulphurisation of fragments. In the process, flue dust follows the off-gases to the heat recovery boiler (HRB) where its sulphation takes place because of prevailing conditions. Sulphation releases heat and causes also a drop in particle melting temperature and, further, particle sticking to the walls and heat exchange tube banks. Sulphation of synthetic CU20 particles were examined using a laboratory scale fluid-bed reactor. This study aims to a better understanding of flue dust behaviour in a HRB and, thus, to a better operational practise and design of a HRB. The effect of PSO/PO2 -ratio and temperature on the sulphation kinetics were tested. Standard chemical analysis, light optical and scanning electron microscopy with energy dispersive spectroscopy were used to examine the samples.

Jan 1, 2001

By W. G. Davenport

Inco flash smelting blows industrial oxygen, dried Cu"Fe-S concentrate, Si02 flux and recycle materials horizontally into a hot (-1500 K) furnace. Once in the furnace, the oxygen reacts with the concentrate by Reactions 1.1, 1.2 and 1.3 to give: (a) liquid matte, 55 to 60 mass%Cu (b) liquid slag, 1 to 2 mass% Cu (c) off gas, 60 to 75 volume % S02. The matte is tapped into ladles and sent to converting, Fig. 1.3. The slag is tapped into ladles, and sent to a stockpile; with or without a Cu-from-slagremoval step. The off gas is water-quenched, cleaned of dust and sent to a sulfudc acid plant. The [nco flash furnace is also used to recover Cu from molten recycle converter slag. The slag is poured' into the furnace via a steel chute and water-cooled door, Fig. 3.1. In 2000 there are five Inco flash furnaces in operation: at Almalyk, Uzbekistan (Ushakov, et at. 1975); Hayden, Arizona (Marczeski and Aldrich 1986); Hudey. New Mexico (Belew and Partelpoeg, 1993); and Sudbury, Ontario (two furnaces, Carr etal, 1997, Humphris et ai, 1997; Molino et ai, 1997). The Almalyk, Hayden and Hurley furnaces smelt Cu-Fe-S concentrates. The Sudbury furnaces smelt Ni-Cu-Co~Fe-S concentrates'to produce -45% Ni+Cu+Co matte and -1% Ni+Cu+Co slag.

Jan 1, 2001

By Zhijing Zhang

A thermodynamic structure model for alkali borate melts is developed to describe the distribution of structural groups in the alkali borate melts as a function of compositions. Fractions of threefold coordinated boron atoms and fourfold coordinated boron atoms in the potassium borate melt are calculated for the entire composition range and compared with results reported in the literature. The model has been used for structural interpretation for the borate anomaly in viscosity, which regards the borate anomaly as a manifestation of the various antithetical effects caused by the introduction of alkali oxide into boric oxide. It has been found that the viscosities of alkali borate melts increase or decrease according to the changes in rigidity and spatial connectivity of the glass network structure, which is a function of temperature and composition.

Jan 1, 2001

By S. Moussa

The formation of boron-doped nickel aluminides Ni3AI, (76 at. % Ni) from elemental powders by reaction synthesis using reactive sintering was studied. The process involves the mixing of elemental powders of nickel and aluminium with various wt % of boron up to 1 wt % boron. Nickel and Aluminium powders were mixed in the correct proportion to form the intended boron-doped nickel aluminide intermetallic. XRD, SEMI EDS, Image analysis and Archimedes principle; were used to study the effect of Boron addition on the final microstructure, bulk density, average grain size of as reactively-sintered nickel aluminides (boron-doped), compared with no boron addition. The results showed that at greater boron content than 0.3 wt %, a two-phase non-equilibrium microstructure of consisting of NiAI phase in NiJAI matrix was formed that have been primarily retained even after heat treatment for 5 hours at 1000 °C. Boron was present in solid-solution within both the NiAI and the Ni3AI (in greater amounts) phases.

Jan 1, 2001

By Deming Wang, R. A. Overfelt

"The oscillating cup viscometer has become a dominant technique to measure the viscosities of high temperature molten metals. Unfortunately, the viscosity estimation model from the observed logarithmic decrement and period of the oscillation is very complicated. There are still large discrepancies of viscosity estimation values between using different measurement facilities and using different viscosity estimation models for a same molten metal. The purpose of the paper is to evaluate the accuracy of an oscillating cup viscometer in Auburn University. Two well known viscosity estimation models, Roscoe's and Torklep's equations, are compared and discussed. The theoretical literature for the fluid flow inside an oscillating cup is reviewed and a more accurate working equation for the Auburn oscillating cup viscometer is developed. Some design parameters of the oscillating cup viscometer, which directly affect the accuracy of viscosity estimation by using the working equation, are discussed. In addition, applications and experimental measuring data are presented in the paper for several different commercial alloys, such as aluminum alloys: A319, A356 and A201, nickel-base super alloys: In713 and In718, and casting irons, C40 Gray Iron and Ductile Iron.1 IntroductionThe oscillating cup viscometer is the most important and has been most frequently used in viscosity measurement for high temperature liquids [1-4]. The principal advantages of this technique over others are its mechanical simplicity and the ability to measure the time period and amplitude decay with great precision. In the viscometer, a high temperature liquid (such as a molten metal) is contained within a crucible suspended by a wire to form a torsional pendulum, which induces torsional oscillation motion. This motion is damped primarily by viscous dissipation within the viscous liquid inside the cup. The viscosity of the liquid can be calculated by an analytical or numerical solution ofthe equations of motion of the oscillating cup system."

Jan 1, 2001