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By B. G. Thomas

"Mathematical process models can be applied in several different ways to serve industry by inducing beneficial changes to process operation. This paper attempts to summarize the different uses, types, and attributes of these models, and to offer some ideas to consider when developing, using, and reporting on them. Process models range from empirical to mechanistic in nature and vary in complexity from simple analytical solutions to coupled, 3-D transient numerical simulations. They are classified here according to the way in which they are implemented in practice, viz. fully-online models, semi-online models, off-line models, and literature models. The purpose of the model should dictate how choices are made during its development. Ways to validate and compare the model with experiments are suggested. Examples are taken in the context of the author's experience in modeling the continuous casting of steel.IntroductionThe objective of this paper is to provide a partial introduction for this symposium by discussing some basic aspects of the application of mathematical process models in industry. Essentially, the aim is to explore how process models are used to benefit industry, and to offer some general comments and suggestions, based on the experience of the author, on how models can best meet this goal.This work is concerned with process models, which consist of systems of mathematical equations and constants that are solved on a computer to make quantitative predictions about some aspect(s) of the process. The specific variables required as input data and generated as output data are important features of the model. The equations often derive from a numerical solution to one or more differential equations and their boundary conditions. The model also includes the constants, which represent material properties, empirical relationships, and other knowledge about the process, and usually require considerable effort to obtain. Thus, general purpose commercial software packages, (ie. finite-element or finite-difference based codes), are not models in this context. They are useful tools, however, serving as frameworks for the development of process models."

Jan 1, 1994

By B. I. Hop

The f10wfield set up by the standard Hydro gas purging unit has been predicted by a numerical model. In addition turbulent trajectories of gas bubbles released from the rotor are predicted. Here the deposition rate of inclusions on the bubble surface is allowed to depend on local conditions. Bubbles passing regions with strong pressure gradients, such as close to the rotor, will experience large slip velocities and large deposition rates. This model can deal with any distribution of bubble sizes and inclusions. The results found from the multidimensional flow predictions are discussed in relation to what can be obtained from a much simpler metallurgical engineering approach. The differences between these two approaches to predict the same process will be discussed. The model predictions are compared to experimental results for removal of SiC-particles from aluminium.

Jan 1, 1996

By James E. McNulty

Today's energy era is the beginning of a transition from the Petroleum Age to a future age of renewable fuel resources. Fuels for the transition era will come from unconventional sources and conversion technology. Affecting the practicability of transition technologies are attitudes of the public, capital requirements and availability, patterns of fuels utilization, producibility of fuels and the actions of governments. Primary energy sources to replace deficiencies of oil and gas and provide growth in the period of transition will be coal, oil shale, nuclear energy and peat.

Jan 1, 1981

By Milton Blander

"A review of concepts and theories for predicting thermodynamic solution properties of multicomponent high temperature liquid solutions is reviewed. During the last 50 years the ability to predict such properties for molten salts, silicates and metals based on the generally known properties of the lower order (often binary) systems has been developed and shown to provide predictions which are quite useful in science and technology. There are many gaps in our understanding of these high temperature solutions, especially for metals, and considerably more work is needed.INTRODUCTIONA number of solution theories and concepts have been developed which reliably predict the properties of multicomponent solutions from those of the lower order systems (often only the binaries). Because there is available data for a large fraction of the important binaries, the capability for making predictions for many multicomponent systems used in metallurgical separation processes is broad and potentially very useful. At the very least, the theories greatly minimize the data necessary for predicting properties of complex multicomponent solutions of molten salts, silicates and metals. It is the purpose of this paper to discuss the concepts which are demonstrably useful. We will discuss simple forms of the theories to make the concepts clear but we will refer to the publications which contain the more complex equations needed to treat the large majority of systems.A simple framework for understanding what we need to know in order to make technologically useful predictions is based on well known thermodynamic principles. In technologies and sciences where molten salts, slags magmas or molten metals are used or studied, one must often calculate the extent of a chemical reaction (or separation) or of phase changes. To do this, one must first write an equilibrium constant, K, for the reaction in terms of the standard free energy change of the reaction, ?G°."

Jan 1, 1996

By Michael J. McGuire

Rostoker, Inc. has developed a process to smelt solid hazardous/non-hazardous inorganic wastes. Near seven hundred experiments were performed. Actual industrial wastes as well as reagent grade chemicals were used. By mixing a multiplicity of these wastes to proper formulations, then furnacing them, it was determined that saleable end products could be reclaimed; metal, fume and slag. The slag, due to its siliceous structure was tested to be leach resistant (40 CFR). This formed the essence of our patent, #5,180,421 "Method and Apparatus for Recovering Useful Products from Waste Streams". What is unique is that a HTMR (High Temperature Metal Recovery) process has been developed that can treat a multiplicity of wastes within the same furnace. The discussion will include a list of waste streams we have treated, details of proper waste formulation and experimental results.

Jan 1, 1994

By G. R. Palmer

The success of future electric vehicles will depend greatly upon the power supply choices made today. Research is presently being conducted by automotive engineers and electrochemists to determine what battery type may be the most promising. Not only are product production and application efficiencies being evaluated but also environmental concerns of reclamation and recycling. Rechargeable batteries using nickel-metal hydride electrodes are strong candidates for these electric vehicle applications. The U.S. Bureau of Mines is investigating hydrometallurgical technology that separates and recovers purified metallic components present in nickel-metal hydride battery scrap. Sulfuric, hydrochloric, and nitric acids are all capable of dissolving the battery electrode alloys given the proper operating conditions. Solvent extraction of the leach solutions using D2EHPA removes iron, and selective precipitation shows promise of recovering the other metals in the H2SO4 and HNO, systems.

Jan 1, 1994

By Dan A. Mackie

Continuous leaching of precious metals ores in a vat is possible using a jigging technique. This patented method promises to be competitive with heap leaching, particularly in northern climates, difficult terrain, high precipiptation regions, and environmentally sensitive areas. The paper discusses test work to date, plans for pilot plant testing and basic economics

Jan 1, 1990

By Clyde S. Brooks

This paper undertakes to assess what opportunities exist for the economical recovery of non-ferrous metals from spent catalysts. The most promising recovery appears to lie with metals such as Co, Mo, Ni, W, heterogeneous catalysts used on a large scale in petroleum processing. Nickel is a metal with diverse applications on a large scale notably in hydrocarbon steam reforming and in vegetable oil hydrogenation. In addition, several of the precious metals, notably Pt, Pd, and Rh, find extensive use in fossil fuel processing and in automotive and power plant flue gas control. The hydrometallurgical and pyrometallurgical alternatives for processing are identified and discussed, especially with citations to illustrate reduction to commercial practice. Promising directions for adaptation of appropriate, economic separation technologies for recovery of non-ferrous catalytic metals generated in significant amounts for the secondary metal markets are identified. Recycling

Jan 1, 2000

By Anupam Madhukar

The essence of an atomistic unified kinetic model of strained thin film growth and defect initiation is presented along with a comparison of its consequences obtained from computer simulations with experiments. Within the competing kinetics of a strain dependent activated incorporation of atoms and an asymmetry between upwards and downwards inter-layer migration, the model provides a consistent description of 2D versus 3D morphology evolution accompanied by the appearance of surface vacancies and steps at no energy cost. The correlated migration of these precursor defects offers an atomistic mechanism for the emergence of surface half-loops from the growth front (thus accounting for configurational and thermal entropy) governed by activation energies closer to their correlated motion under the evolving strain fields and thus substantially less than those calculated with respect to the perfect crystal as the reference state. The essential mechano-chemical nature of the problem is compared and contrasted with the historical literature of such phenomenon as precipitation hardening and sintering in metallic and ceramic composites.

Jan 1, 1994

By Gary A. Wickham

In the zinc industry, this past decade has seen both prosperity and depression. Significant changes have occurred throughout the world in mining, smelting, refining, and marketing. This paper will review many of the industrywide changes of recent years and the potential impact for 1990s. In addition to an historical review of supply and demand are discussion of technology considerations for zinc and zinc based products, effects of geographical shifting of markets, and projections for the 1990s.

Jan 1, 1990

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 K. A. Brunk

Newmont's research, operations, history and experience with pre-treatment of preg-robbing carbonaceous ores are described, with emphasis on the chemistry, physics and kinetics of chlorine treatment. Present operations, control strategy and projected changes are also described, including a summary of the adsorption of chlorine into pulps and off-gas scrubbing. Conditions of chlorination have been optimized by the use of Eh-pH diagrams of the gold-chlorine-water system, and have resulted in significant increases in gold recoveries and decreases in chlorine consumptions.

Jan 1, 1987

By Bryce Clark

Cobalts history from the 14th Century is outlined, with a look at its various sources over that period. The present sources and quantities are given, when in 1994 it is an equal co-product of copper in Africa and nickel elsewhere (Canada, Australia, Russia). Future trends in this scene are also examined. The final section deals with cobalts uses in superalloys, magnets, colours, electronics, chemicals, and examines trends in its markets. Supply and demand in co-product cobalt are shown, based on the latest production figures.

Jan 1, 1995

By David R. Brosnahan

Increased Cu grades due to chalcopyrite-rich ore from The Doe Run Company's new Casteel Mine prompted a program to increase Cu recovery. Preliminary tests indicated that prohibitive quantities of FeS2 float with chalcopyrite. Point counting of mill stream samples showed that locking was not a major problem, although grinding to finer particle size enhanced the floatability of both chalcopyrite and marcasite. Backscattered electron images and microprobe analyses of FeSz minerals revealed the presence of Pb which appears to occur as solid solution in marcasite, and as a sub-micron particulate Pb phase in pyrite.

Jan 1, 1987

By A. G. Jackson, Mark D. Benedict, Steven R. LeClair, Yang Cao, David M. Conrad

"Electronic Prototyping (EP) represents a new and powerful medium that many in science and technology view as the research paradigm of the future. Actually, EP has many handles, sometimes referred to as simulation-based design involving more long term objectives such as virtual reality, but regardless of the 'spin', the direction of EP is an enhanced visual paradigm to enable a new set of tools for engineers and scientists alike. Tools to not only automate, visualize and compute otherwise intractable problems but to enable augmentations of our ability to perceive that which is interesting and new -""a virtual version of a process"" [1] prodding us on the pathways of materials and process discovery.IntroductionActually there are many reasons to apply sensors to materials, such as smart or adaptive materials/structures, and new materials synthesis/processing [1], only some of which are motivated by improved product quality and/or productivity. Although U.S. Air Force applications of sensors to materials processing represent but one of many perspectives, hopefully it is a perspective which will engender new ideas and insights in addressing future challenges in materials research. To provide context and establish need for future sensor applications in materials processing, we will utilize on one of several Air Force vistas or '21st-Century' objectives."

Jan 1, 1997

This report presents overview of the authors' results of thermodynamical investigation of some important metallurgical processes and phenomena. Among them: carbo thermal reduction of silica, and boron oxide, silicon carbide obtaining from different precursors, investigations on copper and manganese ores processing, investigations on pollution from different sources. Special attention is paid-to thermodynamical approach to investigation and estimation of multi component multi element compositions stability, developed by the authors. Also are discussed some auxiliary but' important for the thermodynamical investigations issues.

Jan 1, 1997

By Patrice Chartrand, Halvor Dalaker, Philippe Ouzilleau

A size-dependant thermodynamical model for the carbon-hydrogen previously developed by Ouzilleau et al. [1] has been expanded here to include chemisorption of methyl groups. Gibbsenergy minimalisation calculations using FACTSAGE software on this model indicates that hydrogen bonding through methyl groups is energetically favoured as an intermediate between bonding as monoatomic hydrogen to edge hexagons (which is more favourable) and as monoatomic hydrogen to corner hexagons (which is less favourable). The model has also been applied to methane decomposition and oxide reduction using natural gas. A C-H solid solution as a thermodynamic description of the solid carbon phase influences calculations of carbon activity in metastable methane, and gives different results than when using graphite.

Jan 1, 2015

By Antoine Allanore, Luis A. Ortiz, Donald R. Sadoway

"The steelmaking industry has drastically reduced its energy consumption in the last fifty years, and today’s technologies are considered to operate at their optimal efficiency with respect to energy needs. To cope with new constraints related to greenhouse gas (GHG) emissions, a change of paradigm is necessary. One of the promising technologies that could be deployed to help reach CO2 mitigation targets relies on the intensive use of electricity: molten oxide electrolysis (MOE). This paper presents the key process parameters that need to be tuned to address the practical needs for both high productivity in a steelmaking reactor and for an energy efficient process. Herein we show that contrary to common perception, the electrolysis process for ironmaking requires less energy than today’s chemical reduction route. Furthermore, we prove that most of the energy that must be provided to operate the electrolytic iron production cell is thermal energy which is readily generated by joule heating during electrolysis due to large currents being passed through the electrolyte. The energy consumption of the electrolysis cell is therefore shown to be highly dependent on the cell configuration and the chemistry of the electrolyte. As a consequence, the CO2-impact of the technology strongly depends on both the power production mode and the technological choices for design of the process, including cell configuration. Surprisingly enough, even when the electricity generation is not carbon-free, MOE still appears to be viable from the perspective of reducing GHG emissions providing sound reactor design considerations are made.IntroductionIn the context of greenhouse gas (GHG) emissions mitigation, the steelmaking industry is considering several techniques that could sustain the efforts and progress achieved by this sector in the last decades [1]. A recent report [2] on potential routes for low-CO2 steelmaking highlighted for all techniques both the strong dependency of CO2 emissions on electric power production mode and the need for a decrease in energy consumption per tonne of steel. Incited to innovate with respect to this last criterion, the steel industry considers electrolysis to be a promising technological solution, and in particular the molten oxide electrolysis (MOE) process. This process conducts electrolysis in a mixture of oxides that dissolve the iron oxide feed, which by the action of electric current is decomposed into liquid iron and oxygen gas. The opportunity for reduction in energy consumption during steelmaking by MOE is commonly attributed to the “direct” pathway from iron oxide to liquid metal offered by the use of a molten oxide melt and operation at a temperature above the melting point of iron, ideally 1600°C, to provide enough superheat for tapping the molten iron product:"

Jan 1, 2011

By J. W. Matousek

In the flash smelting of copper sulfide concentrates, the course of reactions from the burner tip, through flame "burn-out" (the point of oxygen depletion), to settled matte and slag is of particular interest in understanding the mechanisms of the process. Numerous reaction sets can be proposed to describe the chemical changes that might be taking place, but from outside the furnace no one set offers an obvious advantage in explaining the actual processes involved. Only a combination of mathematical modeling and flame and bath sampling can achieve this result. This paper shows that flash smelting, while still reasonably orderly, is a more complex process than suggested by the technical literature.

Jan 1, 1993

By S LeClair

Intelligent manufacturing involves intelligent, product-directed systems that facilitate the on-line, real-time generation of an improving product process cycle. A first step in the journey relates to self-directed systems which have the ability to reason and create their own processing paths in response to varying product and process conditions encountered during the process. This paper discusses an application of self-directed process control in the manufacture of graphite-epoxy laminated composites. An Air Force team involving researchers and production personnel have caused the development of a system now in use at the Air Force Logistic Center at McClellan Air Force Base in Sacramento CA. The paper discusses results and lessons learned in the process of trying to speed the implementation of research efforts which show significant potential of improving the product quality in less time and at less cost

Jan 1, 1992