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By Jürgen. F. Brune, CLAIRE STREBINGER, ADITYA JUGANDA, Gregory E. Bogin Jr

The abstract highlights the risk of methane gas explosions in underground coal mines and the potential of computational fluid dynamics (CFD) modeling to simulate such events and assess their impact on mine ventilation. The study focuses on developing CFD models for large-scale explosions in longwall mines, specifically simulating methane gas explosions resulting from face ignition during coal cutting. The research demonstrates the integration of a combustion model into a longwall mine ventilation model and shows how the availability of explosive gas mixtures significantly affects flame propagation and explosion pressure.

Mar 27, 2022

By A. Dutta, B. Devulapalli, A. Mukhopadhyay, E. W. Grald

"Computational Fluid Dynamics (CFO) has matured over the past two decades as an analysis tool for conducting virtual experiments with significant time and cost savings. It complements and reduces physical testing. CFO has penetrated the diverse materials industry in much the same way as Computer Aided Design (CAD) did more than a decade ago. As the basic numerical algorithms used in CFO have steadily improved, so have the reliability, consistency and user-friendliness improved significantly, too. Other recent trends have also contributed to the rapid growth and widespread adoption of CFO. In this presentation, CFO applications from several materials processing industries will be presented using case studies. Emphasis will be on metals, glass and semiconductor applications.IntroductionThe term materials processing covers a diverse array of industrial applications and products today. From the continuous casting of steel, to the deposition of semiconductor materials atom by atom, to the extrusion of molten polymers, materials processing applications span an incredible range of length scale, process times, pressures, temperatures and velocities. The properties of the materials themselves, in terms of density, viscosity, thermal conductivity, etc., can be complex functions of temperature, shear rate, chemical composition and time. And the processing equipment may be very complicated in geometric shape.Computational fluid dynamics (CFD), the technique of solving the governing equations of fluid motion and other related phenomena using a computer, has enjoyed widespread and rapid growth, which started in the aerospace and automotive industries. More recently, CFD has also been successfully applied to a great many materials processing problems, in spite of the challenges described in the previous paragraph. The reasons for the growing usage of CFD in materials processing are many. Using CFD to test design options and reduce the number of physical prototypes can decrease the time and cost associated with new product and process development. CFD gives insight and provides detailed predictions of operating conditions in lieu of difficult, intrusive and often expensive experimental methods. CFD can be used as an aid to scale-up processes from lab or pilot scale to full production. Troubleshooting the performance of existing equipment is often carried out with the help of CFD. Determining how an existing piece of process equipment will operate under new conditions, or with new input ,materials, is also a common task for CFD."

Jan 1, 2004

By Chenyang Zhang, Zhigang Yin, Jianyong He, Yuehua Hu

"A lot of floatation reagents (collectors, inhibitors and regulators) for the beneficiation of copper ores have been well developed in the past century. However, it is still unclear about the micro interaction mechanism of these flotation reagents with copper ores. In this paper, the interaction mechanism of these flotation reagents with the copper atom on chalcopyrite has been systematically investigated by first principle DFT (density functional theory) calculations. Thirty-four specific common functional groups linked with the same hydrocarbon chain (ethyl) are optimized at a B3LYP/def2-TZVP level, the solvation effect was included with the SMD solvation model. The analysis of the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) and nature bond orbital (NBO) charge of these reagents reveals their potential applications to other types of copper-bearing mineral. Further investigation of the thermodynamics calculations gives more reliable data to screen collectors or inhibitors for copper-bearing mineral. The flotation results from carefully reviewed literatures are in good agreement with the calculation results. This work might also shed new light on the development and discovery of highly efficient and selective flotation reagents with low cost based on the computational methods.INTRODUCTION Froth flotation,(Shean & Cilliers, 2011) a mineral processing approach, is applied to efficiently enrich valuable minerals from the mixture, which is achieved according to the dictinctive surface properties of minerals. In the past century, researchers have develped an aboundant of flotation reagents by extraction or synthetize, and many carefully selected reagents might die in the bench tests or the pilot tests before the pratice.(Bulatovic & SrdjanM, 2007) Generally, it involves a lot of cost and tedious works by conducting flotation tests to screen flotation reagents. Flotation reagents have been boomed robustly with the developing of the organic synthesis.(Liu, Yang, & Zhong, 2017) Reseachers found the specific properties of a reagent are determined by its functional groups and the length of the hydrocarbon, where the functional group is assigned as the adsorption site to adsorb onto mineral surfaces and the hydrocarbon chain is called as a hydrophobic group."

Jan 1, 2018

By M. Cross

Heap leaching presents a complex physico-chemical process to model and a significant challenge to develop a comprehensive model enabling reliable predictions of heap behavior over the long term. A computational modeling framework is described for the analysis of multi-phase flows in reactive porous media suitable for tracking metals recovery, for example, in heap leaching and environmental recovery processes. This modeling framework employs appropriately formulated, parameterized, and solution procedures to capture: 1) liquid and gas flow through heterogeneous porous media subject to variably saturated flow conditions, 2) the complex and dynamically changing nature of the porous media structure, 3) the transport of reactants and products of reaction, 4) the simultaneous mass and heat transfer, and 5) the role of bacteria as a catalyst for reactions. A second class of challenges to accurately model heap processes is to identify and then capture all the process data to characterize the reactivity of particular ores, the mine planning for the construction of the heap, leach schedules, meteorological data, etc. The objective of this paper is to outline these challenges and to describe a modeling framework that can cope with arbitrarily complex geometries and provide tools for rapid and accurate process assessment.

Jan 1, 2006

By Mark Cross, Diane McBride, Nick Croft

Extractive metallurgical processes rate amongst the most complex from the perspective of computational modeling. They typically involve multi-phase and multi-component fluid flow in very complex geometries, heat transfer driven by a number of interacting phenomena, solidliquid- gaseous phase change and mass transfer together with complex thermodynamics and associated chemical reactions. Beyond the model building itself, key challenges have always involved being able to identify the phenomena present together with interactions to characterize processes and experimental laboratory and plant data to parameterize the arising models – it is in this milieu, which require considerable process understanding and subtlety of thought, that David Robertson has made his contributions. We will review the achievements, over the last couple of decades, in computational modeling of extractive metallurgical processes and address some of the remaining challenges to enable simulation based process design, as we move through the 21st century.

Jan 1, 2014

"Many industrial processes involve materials that are subject to temperature change and thermal stress. Examples range from the casting of large metallic products to the cooling and reliability of small electronic components. Thermally induced stress is a major concern as it can lead to material damage and product failure. Material properties, thermal and mechanical, and process conditions such as the size and location of a feeder in metals casting, or the power dissipation in a computer chip, will govern the magnitude of these stresses. Temperature may also be influenced by fluid flow, for example, the airflow over a computer chip in a laptop will govern the rate of heat extraction, hence the temperature gradients in the chip and the evolving thermal stresses.This paper provides details on the governing equations for heat transfer (temperature) and solid mechanics (stress), their degree of coupling, and the numerical techniques used to solve them. Three examples are discussed to illustrate the use thermomechanical modelling. These also provide an insight into the degree of coupling required between the equations. The first example, involves thermal cycling of electronic components where a prescribed temperature field is applied. As temperature is known, this example only requires the solution of the stress equation. The second example also involves the modelling of an electronic component where the temperature field is also calculated. In both of these examples, the stress calculation is dependent on the temperature field, but the temperature calculation is not dependent of the solution of the stress equation (one-way coupling). The final example provides details on modelling the metals casting process. Both the temperature and stress equations are solved but, unlike the previous two examples, in this case the temperature field is dependent on the results from the stress calculation (two-way coupling)."

Jan 1, 2001

By J. Abrahams, A. Nesbitt

Over the past half-century, researchers have commented on the complexities of ion-exchange processes, but have been forced to use gross assumptions to simplify the associated mathematics sufficiently for mathematical models to be of practical use, given the available computational power. This paper reviews the development of increasingly complex models as computational power has increased over the past half-century, from the direct application of Fick's Law in 1947, through to today's models requiring finiteelement methods. The assumptions required for and the associated limitations of the various models are presented and the associated computational complexities are discussed. A case study is presented in which a continuous loss of capacity in an acid resin was observed over about sixty cycles of loading and elution. Resin poisoning does not explain this observation. This paper presents the capacity loss data, speculates on possible causes of the phenomenon, discusses why conventional kinetic and equilibrium mechanisms cannot explain it and concludes that the need to develop a more rigorous model is apparent. The significance of this observation is that standard tests done for a new resin application could significantly overestimate the commercial performance of the resin concerned, highlighting the importance of computer simulation in this field of process engineering.

Jan 1, 2005

By F. Michael Hosking

Modeling of a furnace brazing process is described. The computational tools predict the thermal response of loaded hardware in a hydrogen brazing furnace to programmed furnace profiles. Experiments were conducted to validate the model and resolve computational uncertainties. The results from selected furnace simulations and measured thermal events were compared. Critical boundary conditions that affect materials and processing response to the furnace environment were determined. "Global" and local issues (i.e., at the furnace/hardware and joint levels, respectively) are discussed. The ability to accurately simulate and control furnace conditions is examined.

Jan 1, 1998

By A. J. Paul, K. O. Yu

"Today, foundries are moving towards the use of models and design tools to gain a competitive advantage in producing castings of high desired quality. This leads to a growing alliance between foundries, software developers and researchers seeking to model, visualize and understand the phenomena taking place during the casting process. In addition, there is a need to develop affordable techniques to produce parts in small lot sizes. This leads to the development of a Flexible Manufacturing System consisting of: (1) up-front computer-aided engineering; (2) computer integrated proto typing with solid freeform fabrication; and (3) fabrication of the actual mold and related equipment to cast the part.This paper discusses some of the developments that are taking place today in the areas of modeling the physical phenomena during the casting process as well as towards developing a Flexible Manufacturing System for producing cast parts. Areas that require most work involve prediction of defects and mechanical properties using simplified analyses. In addition, electronic data sharing for collaborative engineering between geographically dispersed team members is also discussed. Case studies are presented showing successes as well as failures.IntroductionCasting, one of the oldest forms of metalworking, has recently seen a flurry of developments in the area of solidification modeling. These developments have come about after the realization that, in order to stay competitive, foundries need to reduce their scrap rate and production costs, and increase casting quality. Even though this is not new knowledge for foundry engineers, the tools to help them achieve this goal are just being developed and put in place for use by foundries. Several state-of-the-art software packages are currently available to analyze the solidification behavior in complex shaped castings. These packages make use of several different approaches for solving the various problems associated with casting processes. The overall architecture of a comprehensive solidification modeling system is shown in Figure 1."

Jan 1, 1994

By Günter Petzow, Hans Leo Lukas, Hans Jürgen Seifert

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

Jan 1, 1996

By W. R. Marks

Computer-aided torsional analysis of grinding mill drives is defined and related to the mill design process. Equations of torsional dynamics are developed for general mechanical drives. Consideration is given three solution types - specifically the determination of undamped natural frequencies, the calculation of steady vibration amplitudes, and the prediction of transient torques during starting. Following a summary of the methods of calculating drive motor performance, the problem in making practical application of this theory are discussed. Experiences in both calculating and measuring the torsional loads on a large ball mill with dual synchronous motors are reviewed. Conclusions are drawn on the effectiveness of computer-aided torsional analysis for improving mill drive reliability.

Jan 1, 1984

By H. W. Smith, N. Ichiyen

A convenient method for the calculation of metallurgical balances, based on statistical treatment of all available data, is presented. An error analysis is included. Examples show the advantages of the method, and also that such balances are less precise than might be supposed.

Jan 1, 1973

By N. El-Kaddah, J. W. McKelliget

"A mathematical model for the analysis and design of hybrid plasma reactors for advanced materials synthesis is presented. The model is based upon a solution of the electromagnetic vector potential equation and is capable of predicting the two-dimensional velocity, temperature, and electromagnetic fields as well as the reaction kinetics inside the reactor for any axi-symmetric coil configuration. The model is used as a computer aided design tool for the design of hybrid plasma reactors consisting of a conventional DC torch augmented by an RF induction coil and it is demonstrated that the hybrid system possesses superior characteristics for materials synthesis over conventional DC or RF systems. The coupling between the RF and DC components is found to affect both the temperature field and the flow field and to have a significant effect on the reaction kinetics and on materials recovery. The model is used to study the thermal decomposition of silicon tetrachloride as a function of reactor design and operating parameters and it is demonstrated that through a CAD approach it is possible to significantly improve the operation of materials synthesis systems.IntroductionIn recent years there has been growing interest in the use of the inductively coupled plasma for chemical synthesis as a way of meeting the increasing demand for high quality, high performance materials for use in critical applications/l/. Although the basic feasibility of this approach has been demonstrated in the laboratory/2,3/ there still exists a number of operational problems that adversely affect system performance for some applications. In particular, the recirculation and back flow effects that arise from the electromagnetic forces in the plasma can result in the repulsion of the reactants from the hot plasma core and their subsequent deposition on the walls of the reactor. Another operational problem arises from the fact that the energy dissipated in the plasma has to compensate for the heat losses to the environment by conduction, convection, and radiation in order to maintain the ionization of the plasma and, hence, the stability of the plasma may be affected by the presence of the reactants and their products."

Jan 1, 1988

By Prince R. G H, Guerney P. J, Frew J. A, Vanderkruk C. R, Wanigasekara-Mohoti D. K

This computer-aided design system for mineral processing flowsheets which are based on froth flotation, size reduction and classification combines an expert system for generating flowsheet structures with numerical models for the physical processes and the economics. Design decisions, such as specification, size and placing of process units and the destination of recycle streams, are based on clear technical and economic criteria. These decisions are controlled by user-set parameters, which allow the incorporation of industry experience and preferences and the generation of sets of good designs, from which choices may be made by further criteria, such as controllability. Liberation is now fully modelled and the early results from this extension continue to suggest potential substantial increases in added value over conventional approaches.

Jan 1, 1997

By M. S. Ünal

Creation of 3D model of coal seams is a tedious and time consuming operation. Computer aided 3D solid modelling of coal seams can be performed in a fast and detailed manner. However, in case of having tectonically disturbed coal seams where faults may be observed, expert opinion is necessary to decide the geometry of the coal seam. The aim of this study is detection of fault zones with computers by using drill hole data. Firstly, a digital database is generated by using the drill hole data. Surface models of the layers are produced by applying triangulation method on coal seam roof elevations. The generated surface is divided into small squares and consequently dip and dip direction values are calculated for each square. Variograms for dip and dip direction are determined and maps showing the variation of dip and dip direction are generated by using geostatistical methods such as kriging and co-kriging. Examination of disconformities observed on estimation maps created by kriging and co-kriging clearly reveals the extension of faults. The method used in this study is applied to detect fault lines of a known mine field. 3D solid modelling of the coal seam has also been performed by using conventional cross-section method. The results of both methods were in good agreement. Identification of major faults by using the method introduced in this study could certainly simplify 3D solid modelling of coal seams.

Aug 1, 2013

By John R. Howell

"SUMMARYThe process of producing a new cast component requires significant design and development by both the design engineer and the foundry engineer. This effort strives to produce a high quality component at minimum cost. To assist in this development, an analysis system, consisting of several computer programs, has been developed to simulate the metal casting process. This system incorporates analytical geometric solid modeling, finite element analysis, results display, and an innovative technique to model the casting mold with surface boundary conditions.The simulation has produced excellent thermal results and work is in progress to develop techniques to enable use of this data in additional analyses to predict porosity and residual stress. Research is required to produce working parametric formulations of material properties. Software development is required to develop good fluid flow analyses for large. 3D models to simulate filling of and convection in molds.Integrating this system of programs is difficult due to proprietary database structures used by software developers. However, an acceptable means has been accomplished' to move data from one program to another. Further software development is required to facilitate this task. INTRODUCTIONThe process of producing a new cast component requires significant design and development by both the design and foundry engineer. This effort strives to produce a high quality, reliable component at minimum cost in a timely manner. The design engineer needs to know the physical and mechanical properites which can be expected in the actual part at critical areas. This will enable him to design a part with minimum material while fulfilling the performance required. The foundry engineer needs to produce a sound, quality casting with a minimal amount of material In risers, the feeding system and machining stock. This must be done with a minimum· investment in tooling and development time and maximum productivity of labor and capital employed. This task Is continually being made more difficult because of increased competition in the marketplace and the use of castings in more severe service. This has strongly influenced the need for high quality castings.The task of developing a new casting is difficult for both the design and foundry engineer. To assist in this development, Deere & Company has been engaged in the development of an analysis system to simulate material processes. A major portion of this program involves simulation of the metal casting process. This analysis system has evolved into a package of computer programs which simulates casting solidification and subsequent cooling through the finite element method"

Jan 1, 1986

A microcomputer based expert system is presented for fast and cheap mineral identification. Because of the increasing pipularityof and interest for minerals and precious stones (selling, hobby polishing, collecting, teaching etc.) we pointedly deal with gemstone identification. In most cases only some fundamental data are needed to identify a mineral sample (or precious stone) if we know how to use these data. The important, characterizing data of the well-known minerals are stored in the data-base of our program-system. The visible and measured optical and physical properties of the sample are compared adequately with the stored data to get the result, the name of the examined mineral. The system works in a simple, friendly way - asking questions, understanding answers - so that no special computer knowledge is necessary to use it, only the answers should be typed in. The main advantage of the system is that only relatively simple and fast measure-ments are required. Based on these measurements a fast, reliable identification is processed on a cheap com-puter running a sophisticated program-system. The MINTEST system handles even those cases when the tested mineral cannot be determined based on the given input data.

Jan 1, 1985

By H. W. Smith, C. L. Lewis

"A process control computer has been installed in the Lake Dufault concentrator to: (a) control the on-stream X-ray analyzer and convert chart readings to elemental percentages, (b) calculate the flow rates required for the most important flotation reagents, using the amount of material entering the process, the analyses and the slurry pH, and (c) set the reagent feeder to these flow rates automatically. Although this project was largely experimental, to gain knowledge and experience in flotation process control, the objectives have been met and fully automatic computer control is now the normal mode of mill operation.This paper describes project planning and defines the system with respect to both control design and functional design. System operation -as seen by the mill operator -is detailed. Implementation of the system is described and the system is discussed in terms of its success, economic justification and future plans."

Jan 1, 1969

By Bobby P. Faulkner

The Tennessee Copper Co.'s flotation plant, refer- T red to as London Mill, processes approximately 4800 tons of a massive complex sulfide ore per day. The ore is predominantly pyrrhotite and pyrite, the other sulfides being chalcopyrite, sphalerite, and a small amount of galena. Magnetite of economic value is also present. There are four concentrates produced. In decreasing tonnage, these are iron, copper, zinc and lead. The ore feeding the mill is a composite of ores from five mines which vary in grade. Therefore, in order to provide a fairly constant feed to the mill, the ore is blended several times before reaching the flotation machines. The flotation plant is divided into three main sections: bulk, copper and zinc. Fig. 1 shows a simplified flowsheet. The first two sections, the bulk and copper, were the two sections studied most closely in utilizing the computer.

Jan 11, 1966

By H. W. Smith

This paper presents a review of developments to date in computer control practice, based in large part on Canadian experience. The basic problem examined is that of stabilizing control; matters considered are control strategies, hardware and software aspects of system implementation, reliability, human factors, and economic results.

Jan 1, 1976