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By M. E. Huckman

In this paper, we review the equations needed to construct an ion exchange column model. These models contain three major components: 1) a differential material balance around the colunm, 2) a differential material balance around an ion exchange particle, and 3) a constitutive equation for diffusive flux We then examine the ability of a fairly simple mathematical model to predict ion exchange column experimental data. This model contains the traditional absorption theory equations and is used to predict the behavior of a column filled with a hydrous crystalline silico-titanate and which is removing trace amounts of Cs+ from a high pH, complex electrolyte solution. Finally, we propose replacing Fick's law with the Nernst-Planck equation as the constitutive equation for diffusive flux We use a Nernst-Planck type model to predict batch experimental data, then evaluate it by comparing it's ability to predict experimental data to that of a more traditional Fick's law type model? The data from this comparison suggests that the Nemst-Planck type model yields better results.

Jan 1, 1996

By D. Gu, R. G. Anthony, C. V. Philip, M. E. Huckman

"In this paper, we review the equations needed to construct an ion exchange column model. These models contain three major components: 1) a differential material balance around the column, 2) a differential material balance around an ion exchange particle, and 3) a constitutive equation for diffusive flux. We then examine the ability of a fairly simple mathematical model to predict ion exchange column experimental data. This model contains the traditional absorption theory equations and is used to predict the behavior of a column filled with a hydrous crystalline silico-titanate and which is removing trace amounts of Cs+ from a high pH, complex electrolyte solution. Finally, we propose replacing Fick's law with the Nemst-Planck equation as the constitutive equation for diffusive flux. We use a NemstPlanck type model to predict batch experimental data, then evaluate it by comparing it's ability to predict experimental data to that of a more traditional Fick's law type model. The data from this comparison suggests that the Nemst-Planck type model yields better results.IntroductionMillions of gallons of strongly basic, radioactive waste are currently stored in underground storage tanks at Hanford and Savannah River and several locations within the United States. Due to the limited life expectancy of the tanks, there is a pressing need to remediate these wastes. This need has prompted the recent development of new ion-exchange materials for removing radioactive elements from aqueous solutions. A novel material called TAM-5 has been developed jointly by Texas A&M University and Sandia National Laboratories. TAM- 5, a crystalline silico-titanate, is highly selective for Cs + in the complex electrolytic solutions typical of these wastes. It is stable in very basic solutions and in radioactive environments [1, 2 ,3]. In laboratory testing to determine the selectivity of various materials, TAM-5 was superior to other candidate ion exchangers [4, 5]. The selectivities were determined by measuring a distribution coefficient, Kd, which is defined as the concentration, gig or mmols/g of Cs in the solid phase divided by the concentration, mg/L or mmols/mL, of Cs in the liquid phase. The units of Kd are ml/g or L/kg. Table 1 shows Kd values for TAM-5 compared to 9 other candidate materials in a typical waste solution [6]."

Jan 1, 1996

By John J. Jonas, Sang-Hyun Cho, Ki-Bong Kang

"The recrystallization behavior of Nb micro alloyed steels containing Cr, Mo, Ni and Ti. was studied using hot torsion testing with the aim of modeling the recrystallization processes and the mean flow stress taking into account the microstructural behavior during hot rolling. The kinetics of static and metadynamic recrystallization were characterized and appropriate expressions were formulated for the recrystallization kinetics. These are shown that the recrystallization kinetics depend on steel composition and the processing conditions. The stress-strain curves were determined in order to derive new equations for the peak stress, peak strain, mean flow stress and softening kinetics. The peak strain is influenced by the presence of alloying elements; their addition, which has a solute drag effect, retards the rate of grain boundary motion, shifting the peak to the right. The addition of Nb to the steel results in a significant increment in the activation energy for hot deformation, and Mo has smaller effect than Nb, but Cr has the opposite effect. It was also found that the deformation activation energy in these steels was not altered by the addition of Ni. The rate of metadynamic recrystallization increases with strain rate and temperature and is observed to be independent of strain, in contrast to the observations for static recrystallization.The mean flow stress (MFS) calculations, based on the Sims analysis, are then compared with the predictions of a model based on an improved Misaka mean flow stress equation in which solute effects, strain accumulation, as well as the kinetics of static and metadynamic recrystallization are accounted for. Good agreement between the measured mean flow stresses, which is obtained from the mill logs of POSCO Kwangyang #3 HSM (hot strip mill), and 'predicted ones is obtained over the whole range of rolling temperatures. The results demonstrate that dynamic recrystallization followed by metadynamic recrystallization, supported by the unexpected load drops, sometimes occurs for the rolling schedules studied in the present analysis."

Jan 1, 2001

By J. R. Bhamidipati, Nagy EI-Kaddah

"Over the years, mathematical modeling has been established as a viable tool for design and analysis of melting and solidification processes. Modeling of electromagnetic casting and melting systems involves three coupled problems -- determination of the containment field, the shape of the meniscus, and the temperature field -- which have to be solved simultaneously. One of the difficulties in numerical simulation of these systems is in defining and gridding the solution domain as the meniscus shape of the liquid region is not known a priori. This paper describes a methodology for solving these coupled problems in a two-dimensional electromagnetic containment field. This method is based on the solution of the electromagnetic, free surface dynamic, and heat transfer equations in a fixed domain in computational space by mapping the physical space into an invariant computational space during the search for the equilibrium shape using a variable non-orthogonal coordinate transformation. This approach, also, eliminates the need for regridding the liquid and solid regions during phase change. This methodology is demonstrated for two electromagnetic confinement systems -- the Magnetic Suspension Melting process and the electromagnetic casting of aluminum. The model predictions are in good agreement with available data for these systems. It is suggested that the methodology presented here is likely to provide a useful tool in the design, analysis, and optimization of electromagnetic confinement systems. IntroductionDuring the past decade, mathematical modeling has emerged as a viable tool for the design, analysis, and optimization of casting and melting processes /1-2/. It is generally recognized that the usefulness of modeling to study the interplay between the various process parameters without resorting to extensive experimentation relies heavily on accurate representation of the physical phenomena in these systems. In modeling electromagnetic confinement casting and melting systems, it is important that the model address all aspects of electromagnetic field interaction with the metal, if accurate predictions are to be obtained /3/. The electromagnetic field affects the heat transfer phenomena primarily through joule heating. In addition, the electromagnetic forces play a key role in heat redistribution in the molten pool via melt stirring, and, in confinement systems, support the molten metal pool."

Jan 1, 1994

By Olusegun J. Ilegbusi

"A two-fluid model is used to calculate flow and heat transfer characteristics of a plasma jet. This model accounts for both gradient-diffusion mixing and unmixing that may result from pressure-gradient-body-force imbalance in the system. The unmixedness is considered to be essentially a Rayleigh-Taylor kind instability. Separate transport equations are solved for the plasma and ambient gas velocities, temperatures and volume fractions. The two fluids allowed to exchange mass, momentum and energy through empirical interaction parameters. The empirical coefficients are first established by comparison of predictions with available experimental data for shear flows. The model is then applied to an Argon plasma jet ejecting into stagnant air. The predicted results show the significant build-up of unmixed air within the plasma gas, even relatively far downstream of the plasma torch. By adjusting the inlet condition, the model adequately reproduces the available experimental data on the temperature profile.IntroductionPlasma jets have important applications in materials processing, some of which include spray deposition, melting and refining, heat treatment and materials synthesis. In a typical reactor, the hot plasma stream entrains a surrounding gas and the resulting heat and mass transfer and the condition of operation of the torch, determines to a large extent, the performance of the unit. The entrainment may prevent uniform mixing and produce regions of unmixed hot/cold gases and non-uniform deposits as a result of insufficient melting of deposit in cold regions. This phenomenon may also affect chemical reaction rate in plasma systems for NOx reduction in exhaust gases.The study of plasma phenomena is often conveniently divided into three parts namely, the plasma torch, the plasma jet and analysis of the particles carried in the jet. The present work concerns processes occuring in the near-field of the plasma jet i.e. just downstream of the torch."

Jan 1, 1994

By Amjad Asad, Boyd Davis, Kinnor Chattopadhyay, Rüdiger Schwarze, Christoph Kratzsch, Donghui Li, Lei GAO

Sodium (Na) and Lithium (Li) are produced using molten salt electrolysis. The electrochemistry of the electrolyte is well-researched; however, there are benefits to understanding the melt flow and implications on it for cell design modifications. The basic configuration of alkali metal cells is the Downs cell. This consists of a central anode surrounded by a cathode, and this geometry was the basis for this mathematical modeling study. The behavior of gas bubbles in molten electrolyte was studied in both Na and Li cells through the use of computational fluid dynamics (CFD) techniques. The distance between the anode and the cathode was varied in the CFD model to ascertain whether strong circulatory flows would change significantly in the cell. The standard k-ε turbulence model was used to mimic turbulent flow, and a two-way coupled Discrete Phase Model (DPM) was adopted to simulate flotation behavior of chlorine bubbles and liquid metal droplets. The liquid metal distribution on the free surface was predicted using the Volume of Fluid (VOF) multi-phase model.

Mar 1, 2017

By Han-Tao Hu

Keywords: RH refining process, flow of molten steel, two-phase flow, gas holdup, circulation rate, mathematical modeling A three-dimensional mathematical model for the flow of the molten steel in the whole degasser during the RH refining process has been proposed and developed with considering the physical characteristics of the process, particularly the behaviors of gas-liquid two-phase flow in the up-snorkel and the momentum exchange between the two phases. The fluid flow fields and the gas holdups of liquid phases and others respectively in a 90 t RH degasser and its water model unit with a 1/5 linear scale have been computed using this model. The results showed that the flow pattern of molten steel in the whole RH degasser could be well modeled by the model. The liquid can be fully mixed during the refining process except the area close to the free surface of liquid and zone between the two snorkels in the ladle, but there is a boundary layer between the descending liquid stream from the down-snorkel and its surrounding liquid, which is a typical liquid-liquid two phase flow, and the molten steel in the ladle is not in a perfect mixing state. The lifting gas blown is rising mostly near the up-snorkel wall, which is more obvious under the conditions of a practical RH degasser, and the flow pattern of the bubbles and liquid in the up-snorkel is closer to an annular flow. The calculated circulation rates for the model unit at different lifting gas rates are in good agreement with the determined values.

Jan 1, 2005

By Rodríguez M. Esperanza

The efficient performance of Pachuca tanks is strongly linked to the suspension of mineral particles, which results from the motion of the liquid caused by injected gas rising, in general, through a central draft tube. This study reports a computational investigation on the effect of operating and design parameters on the suspension of particles. By extending the classical 2-phase drift-flux model to compute the gas hold-up, the three-phase (water-air-particles) system was simulated as consisting of a variable-density liquid plus the solid particles. These two phases were treated as interpenetrated continua using an Eulerian approach to set a turbulent recirculating flow model in 2-D and transient state. The model predicted adequately the measured critical superficial air velocity, uc, needed for maintaining particle suspensions, in pulps with 10-50 wt% solids. Additionally, the model was used to investigate the operation of industrial size reactors, obtaining results that agree well with the general trends reported in the literature, and highlighting important differences with respect to laboratory-scale reactors.

Jan 1, 2009

By Michael Zinigrad

The quality of metallic materials depends on their composition and structure and these are determined by various physico-chemical and technological factors. To effectively prepare materials with required composition, structure and properties it is necessary to carry out a research in two parallel directions: Comprehensive analysis of thennodynamics, kineties and mechanisms of the processes taking place at the solid-liquid-gaseous phase interface during welding processes and development of mathematical models of the specific welding technologies. We have developed unique method of mathematical modeling of phase interaction at high temperatures. This method allows us to build models taking into account the thennodynamic characteristics of the processes, the influence of the initial composition and temperature on the equilibrium state of the reactions, the kinetics of heterogeneous processes, the influence of the temperature, composition, hydrodynamic and thennal factors on the velocity of the chemical and diffusion processes. The model can be implemented in the optimization of various technological processes in welding, surfacing, casting as well as in manufacturing of steels and non-ferrous alloys, materials refining, alloying with special additives, removing of non-metallic inclusions.

Jan 1, 2003

By Michael Zinigrad

The quality of metallic materials depends on their composition and structure and these are determined by various physico-chemical and technological factors. To effectively prepare materials with required composition, structure and properties it is necessary to carry out a research in two parallel directions: Comprehensive analysis of thermodynamics, kinetics and mechanisms of the processes taking place at the solid-liquid-gaseous phase interface during welding processes and development of mathematical models of the specific welding technologies. We have developed unique method of mathematical modeling of phase interaction at high temperatures. This method allows us to build models taking into account the thermodynamic characteristics of the processes, the influence of the initial composition and temperature on the equilibrium state of the reactions, the kinetics of heterogeneous processes, the influence of the temperature, composition, hydrodynamic and thermal factors on the velocity of the chemical and diffusion processes. The model can be implemented in the optimization of various technological processes in welding, surfacing, casting as well as in manufacturing of steels and non-ferrous alloys, materials refining, alloying with special additives, removing of non-metallic inclusions.

Jan 1, 2003

By Sylvie C. Bouffard

The need for a better understanding of the heap biooxidation pretreatment of pyritic refractory gold ores has prompted us to develop a rigorous mathematical model of the process. The hydrological structure of the model takes the form of lateral stagnant pores in contact with a uniformly distributed gas stream and connected to vertical plug flow channels, as suggested by the results of an independent study of column hydrology. A model of pyrite oxidation kinetics was derived based on electrochemical leaching theory and the results of potentiostatic stirred tank and column tests. The growth rates of attached and planktonic iron- and sulfur-oxidizing cells are modeled with separate Monod expressions over three separate temperature ranges corresponding to mesophiles, moderate thermophiles, and extreme thermophiles. Isothermal column tests validate the model simulations. Excellent fits of several leaching indicators (potential, extent of sulfide oxidation, iron concentration, cell numbers) reveal the rate-limiting step to shift from particle kinetics to oxygen gas/liquid mass transfer with increasing temperatures and pyrite head grades. Competition for oxygen between sulfur- and iron-oxidizing microorganisms lowers potentials and slows down pyrite oxidation. This modeling tool may assist engineers in the design and operation of heaps to give more complete gold liberation in a shorter time.

Jan 1, 2003

By Mike Trovant, Stavros A. Argyropoulos

"A fixed grid numerical model for phase change problems is proposed. The model solves for heat transfer and fluid flow, via the coupled solution of the energy, continuity and momentum equations. In addition, the numerical scheme accounts for temperature varying thermophysical properties and determines the shrinkage profile resulting from phase and density change. Simulations are run to determine the effect of varying model parameters and wall cooling rates on the location and shape of the shrinkage void formation in cylindrical casts. Results are shown for both aluminum and magnesium.IntroductionThe mathematical modeling of phase change processes (be they solidification or melting problems) entails solving for many interrelated phenomena. A comprehensive numerical simulation of the casting of a metal, for example, would have to account for: (a) heat transfer in both the solid and liquid portions of the metal and in the mold, (b) the release of latent heat during phase change, (c) fluid flow behavior in the liquid portion of the metal, (d) temperature induced shrinkage caused by liquid contraction and solidification contraction, and (e) the development of thermal stresses with accompanying shrinkage in the solid portion of the cast and mold. A schematic of the relationships that exist between the coupled equations which govern solidification is shown in Figure 1."

Jan 1, 1994

By F. Chabchoub

A mathematical model has been developed to study the influence of process variables on the horizontal Ohno continuous casting process. The model simulates the heat transfer and fluid flow in a wide plate ingot of pure tin. A two dimensional numerical analysis based on a control-volume finite difference approach, the Semi-Implicit Method for Pressure-Linked Equations algorithm (SIMPLER), and an Enthalpy Transforming Model was used. The shape and position of the solid-liquid interface were calculated at different casting speeds, ingot thicknesses, and cooling device characteristics, as well as various mould temperatures. Results of the mathematical model were compared with

Jan 1, 1992

By B. Abedian, L. M. Racz, S. R. Berry, R. W. Hyers

"The presented work represents an effort to improve understanding and prediction of turbulent flow inside electromagnetically-levitated droplets. We show that the flow field in a test case, a nickel droplet levitated under microgravity conditions, is a low Reynolds number turbulent flow, i.e. in the transitional regime between laminar and turbulent. Past research efforts have used laminar, enhanced viscosity, and k - E turbulence models to describe these flows. In our study, we compare the RNG algorithm to laminar and k - E turbulence model results. We show that accurate description of the turbulent eddy viscosity µr is critical in order to obtain realistic velocity fields, and that µr cannot be uniform in levitated droplets. In the RNG method there are no characteristic length or time scales associated with the flow, thus allowing such anisotropic features to be captured. We perform calculations and analyses for two cases (1) a small, non-deforming, spherical nickel droplet and (2) a deforming, oscillating droplet. In addition to flow field calculations, we compare numerically-obtained surface tension and viscosity values to those obtained experimentally by the oscillating drop technique.IntroductionElectromagnetic levitation (EML) is a containerless processing technique for conductive materials. Its advantages are the avoidance of contamination or chemical reaction at container walls and the ability to perform long-term experiments in a metastable state. Because of its current limitation to small sample sizes, its primary use is in the laboratory. One application of interest is the measurement of thermophysical properties of undercooled liquid metals [1, 2, 3, 4]. In EML, a sample weighing approximately 1 gram is positioned inside an electromagnetic field generated by alternating currents flowing through an axisymmetric water-cooled copper coil. The coil must be designed appropriately so that thesample levitates in a stable manner.Traditionally, mathematical modeling has been performed in tandem with both earth-and spacebound electromagnetic levitation experiments, in order to determine the effect of the magnetic field on material and flow characteristics [5, 6, 7, 8]. These calculations are important because they allow design, planning, and correct interpretation of experiments. In addition, the calculations are of fundamental scientific interest, as they can be applied to other electromagnetic materials processing applications [9]."

Jan 1, 1999

By A. Navarra

Within conventional copper and nickel-copper sulfide smelters, ladles of molten matte are fed into converters. These converters blast oxygen-enriched air into the matte, thereby eliminating iron and sulfur. The converting reactions are exothermic and, indeed, the converter heat balance is often a limiting consideration on the smelter throughput. If a portion of the matte were fed in solidified (granulated) form, this would support higher oxygen enrichment, and lower volumes of converter offgas, allowing higher throughput. This approach is not applied in conventional smelters, partly because of the copious amounts of water that must be evaporated in typical granulators, as in the Kennecott-Outotec process. The current paper recalls a waterless matte granulator that had been pioneered in the 1990’s, and is applicable to conventional smelters. A mathematical formulation is presented that can be used in the context of simulation-based optimization, to estimate the size and impact of waterless matte granulation.

By Elliot Schwartz, Julian Szekely

"In this paper we describe an experiment that was recently performed on the IML-2 Space Shuttle mission in which the thermophysical properties of molten metals were measured using electromagnetic levitation. In the planning of these experiments calculations had to be performed to predict the levitation and stirring forces, heating rates, sample deformation, and internal flows within the sample. These predictive calculations were essential for both the planning of the experiments and for the re-planning of experimental runs during the actual Space Shuttle mission.Introduction""Materials Processing in the Computer Age"" involves the use of mathematical modeling to obtain a quantitative understanding of the phenomena that govern materials processing operations. Microgravity, or space shuttle experimentation represents a specific case in point here; the very high cost of the space shuttle flights, the very limited flight opportunities that are available, and the tight resources aboard a shuttle clearly mandate that these experiments be very precisely planned and that all possible opportunities for mathematical modeling be fully exploited.The purpose of this paper is to present the results of calculations performed for the planning of a space shuttle experiment involving electromagnetic levitation and wherever possible present a comparison of the computational predictions with both experimental measurements and asymptotic analyses. Finally we shall seek to discuss the practical implications of both the computational methodologies and the potential experimental findings."

Jan 1, 1994

By Y. Y. Sheng

Plume flows created by gas injection into liquid metals have been studied extensively, however the dynamics of bubbles within the plume have not received adequate attention, particularly for large, irregular bubbles, characteristic of the processing of liquid metals. The present model uses a combined Eulerian-Lagrangian approach in which an estimated void fraction distribution is used to calculate the liquid flow field with a conventional Eulerian scheme. The trajectories of bubbles are then computed in a Lagrangian manner using the estimated flow field, and experimentally measured information on bubble drag coefficients', lateral migration due to lateral lift forces and interaction with turbulent eddies, and variation in bubble size due to break-up. Turbulence in the two-phase zone is modeled with a modified k-e model with extra source terms to account for the second phase which have been recently determined by the present authors. The computed void fraction and turbulent liquid flow field distributions are in good agreement with experimental measurements.

Jan 1, 1993

By Vladimir Panjkovic, Ostrovski. Oieg, Campbell Cripps Clark, John Truelove

"Effects of properties of raw materials and blast on the performance of an iron bath reactor have been examined by a mathematical model. The model consists of three modules: 1) chemical reactions in the gas phase and heat transfer from gas to droplets ejected from the bath; 2) heat losses from the vessel and radiative heat transfer from the freeboard to the bath; and 3) heat and mass balances for the bath. The following parameters of the process are calculated: coal, ore, flux and oxygen consumption, post-combustion ratio and heat-transfer efficiency, temperature and composition of the off-gas, and slag and metal chemistry.IntroductionOne of the anticipated advantages of smelting reduction over conventional ironmaking is the use of lower-grade raw materials. In this work, the effect of-properties of raw materials on the performance of an iron-bath reactor is examined with a numerical model. The model is also used to assess the effect of properties of the blast (flowrate, temperature and oxygen enrichment) and ejected droplets (generation rate, size and ratio of total weights of slag and iron droplets) on the key parameters of the process. In the process coal, oxygen, ore (which may be partly prereduced) and fluxes for specified slag composition are charged to the bath. Slag and iron droplets are ejected from the bath into the gas phase, where they are heated before returning to the bath. Iron droplets undergo decarburisation and reoxidation with CO2 and H2O. Dust is also generated from the bath, and oxygen or preheated air for post combustion is injected from the top of the vessel.The model consists of three modules: 1) reactions in the gas phase and heat transfer from gas to droplets ejected from the bath; 2) heat losses from the vessel and radiative heat transfer from the freeboard to the bath; and 3) heat and mass balances for the bath. The structure of the model and the data exchange between the modules are shown in Fig. 1. The following parameters of the process are calculated: coal, ore, flux and oxygen consumption, postcombustion ratio (PCR), heat transfer efficiency (HTE), off-gas temperature and composition, slag and metal chemistry, and rates of decarburisation and reoxidation of the iron droplets."

Jan 1, 1996

By Shoji Taniguchi, Lifeng Zhang, Kaike Cai

"In the present paper, based on the two-phase (Eulerian-Eulerian) model, the 3D fluid flows in gas-stirred systems, i.e., air-stirred water vessel and argon-stirred liquid steel ladle, are simulated. In the Eulerian-Eulerian two-phase model, gas and liquid are considered to be two different continuous fields. The phases are assumed to share space in proportion to their volume fractions. The exchange between the phases is represented by source terms in conversation equations. Turbulence simulated by the k- e model is assumed to be the property of the liquid phase. The following effects of mathematical treatments and operational factors on the fluid flow are discussed, such as interphase drag force, turbulent model, the size of bubble, and gas injection mode.Some interesting results are derived. Except the interphase drag force, the interphase lift force should be taken into accounted in order to exactly simulate the fluid flow in gas-stirred systems. Suitable turbulent model and drag coefficient have effect on the mathematical simulation. Injecting small bubbles can realize a well mixing flow condition. The distance between the two gas-injection nozzles has effect on the fluid flow."

Jan 1, 2000

By Naiyang Ma

Along with steel production, various steelmaking slags are constantly generated at considerably high rates. In general, steelmaking slags are not categorized into hazardous materials and do not cause any environmental issues. Therefore, recycling of steelmaking slags is often aimed at creating values by using the slags to replace high-cost raw materials. Chemical compositions and particle size distributions of slag products from steelmaking slags will determine what raw materials the slag products can replace. Consequently, maximizing the values of steelmaking slags will require to produce slag products with the highest values and to process the slags with the lowest costs. In this paper, several slag processing processes are assessed based on maximization of the values of the steelmaking slags.

Mar 1, 2017