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By E. Lee

Cone crushers are widely used within the mining and aggregate industries for the size reduction of minerals, ores, and rock materials. In mining applications for example, the product from cone crushers is often fed to HPGRs or directly to mills in the subsequent grinding circuit. An improved cone crusher performance can therefore result in an overall improved and more efficient comminution process. The objective of this paper is to systematically study a number of different ways of applying compressive crushing. By mathematically modelling these different crushing concepts and then theoretically optimizing crushing sequences accordingly, each concept can be studied and evaluated. In addition, aspects concerning whether or not the results are mechanically or practically achievable are considered. This study thus explores the advantages and disadvantages of different crushing concepts. In this paper, four different theoretical crushing concepts are presented and studied. The results show that in terms of interparticle crushing, optimal crushing sequences with varying compression ratios can be replaced by easier implemented series of constant compressions without significant deterioration. It is also shown that that considerably better performance is obtained for crushing sequences with both breakage modes. The subsequent comparison between such concepts indicates that different approaches can achieve the same results, and that the different concepts are comparable. It is further concluded that interparticle crushing should be kept to a minimum if fines generation or energy consumption is to be minimized, and that each of the studied concepts presents different challenges for implementation. Keywords: compressive crushing, cone crusher, optimization, modeling, crushing concept

Sep 1, 2012

By J. Kalynchuk, R. Poulin, R. Pakalnis, D. Peterson

"A market survey of all underground mines in Canada (Fig. 1) was completed to determine the ex1ent to which cable bolts are being used as ground support. One hundred and nine questionnaires were distributed with 65% of them being returned completed. As a result, the quantity, types and locations of cable bolt installations have been determined. In addition, the grout pumps used, time required and cost of installations have been addressed. The popularity of other support types used in underground mines is summarized.IntroductionRock reinforcement consists of installing support within the rock mass (internal) or within the excavation (external). Within the past twenty-five years several new types of ground support have been introduced within the mining industry. Cable bolts were first introduced to the Canadian mining industry in the 19605 (Gramoli, 1975).Cable bolts have gained increased acceptance as a method of ground support during the past decade. The cable bolt is comprised of one central wire surrounded by six slightly smaller outside wires and typically having an over-all diameter of 15.2 nun to 15.9 nun (0.6 in. to 0.625 in.). The cable wires are made from high-strength steel with an ultimate strength of 26 tonnes (58 000 Ibs) (Goris, 1990). Current cable bolting practice consists of cement grouting one or more steel cables within a drill hole in order to reinforce the surrounding rock mass. Cable bolts are a form of internal support and are generally used in open stoping and cut-and-fill mining methods (Fig. 2).They can be either tensioned (active support) or untensioned (passive support) and may be of any length, though for underground mining applications, they are generally less than 20 m (65.5 ft) and are untensioned. A major advantage compared to previously used ground support is that the cables are flexible and can be coiled to approximately 1 m (3.3 ft) diameter coils allowing relatively long support to be installed in areas with limited head room (1.8 m).With the advent of bulk mining methods which require comparatively large stopes, it has necessitated the use of relatively long support tendons to stabilize the large spans being created. As a result, the use of cable bolts for ground support in mines has increased significantly within the past decade."

Jan 1, 1995

By Julian Johnson

The effect of changing redox potential (Eh) on the high temperature sulfuric acid leaching of Western Australian dry-land nickel laterite ores has been investigated. In particular, the effect of added reductant (sulfur, sodium sulfite) or oxidant (potassium chromate) on Eh, leaching kinetics, metal extractions, acid utilisation and leach residues has been determined. Three separate ores - nonhonitic ores from Murrin Mumn and Bulong, and limonitic ore from Cawse - were used in the study. Sulfur addition varied from 0 to 7.8 kg/t ore. The total acid loading was kept constant at 430 kg/t (Murrin Murrin ore) and 330 kglt (Cawse ore), whilst acid loading for Bulong ore was varied according to the presence of either reductant or oxidant. The extraction of both nickel and cobalt from limonite ore remained unaffected when small amounts of sulfkr were added, but addition of even small amounts of reductant to nontronitic ore decreased both nickel and cobalt extraction. Increased manganese and iron dissolution were observed as the levels of reductant increased, accompanied by a decrease in chromium dissolution. As the iron dissolution increased, free acidity decreased, with a subsequent decrease in nickel extraction. In contrast, addition of oxidant lead to reduced iron and manganese dissolution and slower extraction of nickel and cobalt. Keywords: Limonite, Nonhonite, Eh, Nickel Extraction

Jan 1, 2004

By E. H. Myrhaug, K. Aasly, T. Malvik

Quartz is one of the main raw materials for the carbothermic production of ferrosilicon and silicon metal. The ideal process is written: SiO2 + 2C = Si + 2CO The real process is much more complicated, depending on the quality of the raw materials. Several research projects have been carried out on quartz for the (Fe)Si process during the last 50-60 years. One of the important properties that have been discussed in this review is the volume expansion that takes place between 850 °C to 1000 ºC and explosive disintegration for some quartz types. No final and definite conclusions have been made but several reasons have been mentioned: The influence of the phase transformation to tridymite, which takes place within the same temperature interval, has been discussed in several papers. Alkali impurities have been mentioned as a critical factor for this transformation to take place. Other researchers have mentioned mica impurities as a critical factor for the behavior of the quartz at these temperatures. Studies of fluid inclusions in quartz was reported in some papers focusing on the volume expansion of these during heating as a source of explosive disintegration, especially along planes of healed micro fractures that often contain vast numbers of such inclusions. Several methods for investigations of the important properties of quartz have been presented and these provide a good basis for the further research on quartz raw materials.

Jan 1, 2007

By V. J. Sikora, T. S. Hutchinson

This paper presents a method for making a water-rlrive ana1gsis without prior knowledge of aquifer geometry and uniformity using a standard desk calculator. Although it is necessary to know the initial oil in place to use this method, this is a minor limitation to the scope of (he method since in most reservoirs it is possible to obtain reasonably accurate volumetric oil-in-place estimates. An equation is developed which relates pressure at the water-oil contact to the water influx rate as a function of time by a factor called the resistance function. The resistance function introduces the composite effect of the aquifer geometry and flow resistance disrribution. It is pointed out that the characteristic shape of this function makes it possible to start with on approximation of the function and successively improve the approximation until the correct resistance function curve is obtained. In this fashion water-drive estimates can be made without the limitation of assuming simplifed aquifer shapes and flow distributions. This is the novel feature of this development. Methods are given for extrapolating the final curve to calculate future aquifer behavior. Equations are developed for adjusting the pressures and water influx rates where it appears that possible errors in these quantities make it difficult or impossible to obtain a useuble resistance function curve without this adjustment. Application of the pressure build-up analysis techiiique to estimate. some of the aquifer properties is also presented INTRODUCTION A great many oil pools are the result of oil accumulation in some type of trap in an otherwise large and continuous porous stratum. The void space of this stratum outside of the oil pool itself is filled with water or brine. In analyzing performance of the oil pool surrounded by this water aquifer, it is quite necessary. in most cases, to include behavior of the water. When the pressure at any point in a fluid system is lowered, such as by opening a well in an oil sand, fluids in the immediate neighborhood of this point will begin flowing towards this lower pressure sink. As pressure in this area drops due to flow towards the sink, fluids from farther out will start to flow towards the lower pressure. As more and more fluid is removed from the system, the distance from the sink or well within which flow is occurring will continually increase; that is, thc region of disturbance will grow. If some rigid boundary such as a fault is reached by the disturbance, this area will cease to grow; but if some movable boundary is reached, such as a water-oil contact, the area will grow on out into the water, although rate of growth may and almost always does change. The relation between amount of pressure drop and amount of fluid flowing at any point and at any time in an aquifer depends on such factors as compressibility and viscosity of the fluids, the porosity and permeability of the rock, geometry of the whole system and withdrawal rate or pressure drop. With these factors known, it is theoretically possible to calculate the pressure-flow behavior of the system, However, in practice true solutions to the problem are next to impossible due to complexity of reservoir systems. A number of approximate methods of solution have been developed based on various simplifying assumptions. One frequent assumption is that the water-oil contact can be located and equations defining oil reservoir and aquifer solved separately by assigning values to various parameters so as to match past pressure and production history. Usually the properties of the aquifer are not known, since few, if any, wells are drilled through the aquifer; but the water influx and the pressure at the reservoir boundary are known over some time. If it can now be assumed that the aquifer is circular, pie-shaped, or linear, and that it has uniform properties, it is possible to fit a theoretical dimensionless curve to the past aquifer performance history and therefore calculate future water drive. These theoretical curves are available in the literature,1,2,3 Of course, the assumption of uniform aquifer properties is almost always somewhat in error. Fortunately, however, moderate variations from the average have little effect on behavior of the system; and, hence, the best fit of a theoretical curve is frequently satisfactory. In other cases variations in aquifer properties and geometry are large enough that none of the available theoretical curves will give an acceptable fit of the data. In these cases, methods of fitting the data with various electrical analyzers have been developed.1,2' It is the purpose of this paper to present an approach

By Yongjun Peng, Yufan Mu

Pyrite depression in the flotation of copper ores is difficult due to the activation of Cu2+ ions on pyrite surface. In this study, the radical chain reaction involving the redox cycling of Cu(I/II) induced by sodium metabisulphite (MBS) was exploited to selectively depress the flotation of copper-activated pyrite at pH 8.0. Electrochemical measurements revealed that the presence of Cu2+ and O2 was essential to the formation of SO•− 5 through sulphite oxidation, the main entity to convert the activating species Cu(I)S on pyrite to Cu(II)-hydroxide/sulphate, causing deactivation of pyrite. The depression role ofMBS on pyrite flotation was closely associated with the type of grinding media which affected the electrochemical conditions of flotation. When forged steel was used as the grinding media, a high dosage of MBS was required to depress pyrite, but a low dosage of MBS could almost completely depressed pyrite when high chrome steel grinding media was used. This is because high chrome steel produced a stronger oxidation condition with a higher amount of Cu2+ and O2 which promoted the formation of SO•− 5

Jan 26, 2021

By Rahul Singh, Sunil Kumar, Erich Dohm, Maoming Fan

The rapid increase of P2O5 use for food, biofuels, and LiFePO4 batteries etc. accelerates the depletion rate of phosphate reserves. In the phosphate industry, a significant amount of ultrafine phosphate has been discarded as slime tailing due to processing difficulties. The major problems associated with ultrafine particle flotation are low probability of bubble-particle collision and adhesion, and high probability of unwanted gangue particles entrainment. This paper investigates the enhanced ultrafine phosphate particle flotation probability by Eriez’ CavTube generated fine/ ultrafine bubbles and the improved flotation selectivity by wash water etc. Ultrafine phosphates with various gangue minerals of quartz/muscovite, calcite/dolomite, and iron/ silica were studied. Microscopic observations show that the entrained ultrafine gangue minerals can be minimized by using wash water in column flotation. A three-factor threelevel central composite experimental design was conducted for ultrafine phosphate flotation. For comparison, both benchtop mechanical cell and laboratory column flotation tests were performed at their optimal respective flotation conditions. Using Eriez CavTube column flotation technology for Industries Chimiques du Senegal (ICS) ultrafine slime tailings, a concentrate grade of 36.0% P2O5, was achieved at 89.4% P2O5 recovery. Improved flotation performance was achieved using column flotation as compared to benchtop mechanical cell flotation. The benefits of Eriez’ column flotation technology realized from this study include the high P2O5 grade and recovery.

Feb 1, 2024

By D. C. Seidel, E. F. Fitzhugh

The Colorado School of Mines Research Foundation has developed a hydrometallurgical process for recovering nickel from oxidized ores, including both the iron-rich laterites and magnesium-rich, soft silicates. Known as the HSO-HTCP (Hydrothermal Sulfidization Oxidation-High Temperature Cementation in Pulp) Process, the system consists of feed preparation, sulfidization, oxidation, precipitation (cementation), and calcination and melting. This paper deals primarily with the sulfidization and oxidation phases of the process. Nickel sulfide ores lend themselves readily to concentration before smelting or pressure leaching, but neither of the major oxidized ore types — the iron-rich laterites and magnesium-rich, soft silicates-has been directly concentrated. Upgrading of crude ore in current practice is limited to cobbing lumps of the harder, lower grade rock (protore) from the softer, enriched silicate ore, because only a small percentage of the nickel in these ores occurs in discrete, contrasting mineral particles. There is no apparent mineralogical contrast in the superficial, iron-rich lateritic ores and, in fact, there is no firm assurance that the nickel atoms are within the lattices of the limonite minerals, or else irregularly adsorbed on the limonite. Within underlying, "rotten rock" silicates, occasional veinlets of gamierite and related nickeliferous silicates are found.' The gamierite veinlets, however, are only incidental, and the majority of the nickel atoms occur as erratic replacements of magnesium atoms in the micaceous chlorites of the ore mass. Pyrometallurgical processes account for nearly all the nickel currently being recovered from oxidized ores. Plants in New Caledonia, Oregon, Japan, Brazil and Greece smelt the ores to make ferronickels or a sulfide matte,2 and the ammoniacal leaching3 at Nicaro, Cuba, is preceded by a reducing roasL4 The only fully hydrometallurgical installation has been the politically ill-fated Freeport Nickel Co. enterprise, and this process was limited to lateritic ores.5p6 A hydrometallurgical technique which might handle both laterite and the typically richer silicate ores has been an enticing goal. The technique described here was developed at the Colorado School of Mines Research Foundation, Inc. on behalf of the Republic Steel Corp. It uses sulfur, heat, air and metallic iron to recover nickel from these ores. Inasmuch as the ores are treated as aqueous slurries, the cost of drying a plant feed that normally carried 30% or more moisture is eliminated, and there are no dust problems. Patent applications have been filed by Republic Steel Corp. on the procedures used for getting the metal into solution and on the subsequent recovery without liquids-so l ids separation of the slurry. It is referred to as the HSO-HTCP Process (Hydrothermal Sulfidization Oxidation — High Temperature Cementation in Pulp). THE PROCESS FLOWSHEET The results of various experimental studies have been combined to form the continuous flowsheet illustrated in Fig. 1. This flowsheet serves as a general pattern showing the sequence of the operations which include: (1) feed preparation; (2) sulfidization; (3) oxidation; (4) precipitation (cementation); and (5) calcination and melting. This paper deals primarily with the sulfidization and oxidation phases of the process. Feed preparation: In general, the silicate ores can be considered as earthy rather than hard, and preparation might be carried out before the addition of water in a trommel, or with water in a scrubber or log washer. This breaks up the earthy particles, allowing the hard lumps to be separated by screening. The oversize material from most ores is relatively barren and may be discarded. If there is occasion to control the iron-magnesium ratio in the plant feed, laterite, which normally breaks up readily into fine sized particles, and silicates are mixed in suitable proportions. The fine product slurry from the initial steps is mixed with elemental sulfur and fed to a conventional ball mill, although the amount of actual grinding that takes place is relatively small. The object of milling is to complete the disintegration to natural particle size and to produce an intimate mixture of the ore and elemental sulfur. This pulp, which is almost entirely -200 mesh, has a pH of about 7.0 and normally can

Jan 1, 1969

By Alberto Hurtado

El presente texto refiere los aspectos fisiopatológicos y clínicas que comprende un ambiente de mayor altitud para el organismo, así como que las dificultades en la adquisición, transporte y utilización de oxígeno son comunes a muchas enfermedades y procesos patológicos.

May 1, 1975

By R. C. Dunne

As ore grades of existing and new ore deposits continue to decrease there is ever increasing pressure to decrease operating costs to maintain profitabitabitiy at existing mine sites and for new projects. The accepted solution to this dilemma in most cases is to increase treatment rate, leading to a coarser grind, at the expense of marginal decreases in recovery. The recovery loss is usually associated with losses of liberated and composite coarse material. This paper will review the practice of coarse particle flotation, including the reagent chemistry, cell hydrodynamics, froth stability, entrainment and flotation cell design, all parameters important to the recovery of coarse liberated and composite particles. This will provide a better understanding of opportunities to improve the recovery of coarse particles. Some examples will be provided.

Sep 1, 2012

By Scott W. Hazen, George W. Gladfelter

This report presents the results of an initial investigation into some problems resulting from the use of assays representing unequal sample interval lengths and the use of the weighted average grade of ore in evaluating bedded mineral deposits . A mathematical proof and examples are given to show that the unweighted and weighted assay averages are equivalent when there is no correlation between assay value and sample interval length but that these averages are different when there is correlation between assay value and sample interval length . The amount of this difference between estimates is a function of the degree of correlation . One set of sample and assay data , based on 11 stratigraphic sections of the Phosphoria formation in Idaho , indicates that the relationship between the amount of difference between estimates and the correlation factor is approximately linear . If this correlation relationship can be established , within acceptable limits of precision , as a consistent attribute of deposits , the estimate of weighted average grade of ore could be predicted directly from the unweighted estimate of grade of ore by using the relationship as a prediction factor . Randomness tests on the sample and assay data from the Phosphoria formation , using the mean - square - successive - difference method , indicate that correlation between assay value and sample interval length ( each sample interval length represents an individual bed or stratum of the formation ) , apparently has little effect on the independence between successive assays , between successive sample interval lengths , and between the products of assays and sample interval lengths . Therefore , these data can be analyzed statistically as long as the original sample sections have been selected at random for sampling .

Jan 1, 1964

By Robert L. Somerville

As more phosphate deposits are discovered and new mines are developed, the necessity of critically evaluating various rocks for phosphoric acid production recurs ever more frequently. This need is accentuated by the increasing number of, fertilizer plants being constructed on deep water at various locations to serve world markets and to take advantage of locally-available sulfur or sulfur-bearing ores. A major proportion of all phosphate rock mined is consumed by wet-process plants and this acid in turn is consumed, usually captively, in the manufacture of fertilizer. It is apparent, therefore, that the first question asked by the developer of a new deposit is - How will it work in a wet-process plant? and conversely, when developing a deep water, project, one of the early studies required is - Which of the available rocks shall we use? What is the correct price to pay? How do we compare one rock with another? The economic importance of even minor aspects of these questions

Jan 1, 1966

By S. A. Briggs

Bioremediation has been accepted as a treatment technique for groundwater contamination in subsurface soils and shows promise for contaminated fractured rock environments. Biological growth in fractured rock is expected to occur predominantly as biofilms attach to the fracture surfaces. Biofilms in rock fractures are subject to a complex system of forces and other phenomenon due to the dynamics of the bulk fluid in which they grow. In this paper, through the applications of computational fluid dynamics (CFD) to rock fractures, where the boundaries are rough and the flow is complex, a precise analysis was conducted of the interaction of a fluid flow and the rock fracture. Specifically, hydraulic parameters and velocity profiles of an actual rock fracture were calculated and compared to a fracture of equivalent aperture. From the analysis it is clear that it is important to use more complex models such as the Lattice Boltzmann Method used is this paper to describe fracture flow.

May 1, 2009

By Valerio Viti

In High Pressure Die Casting a molten metal is injected through a thin gate into the cast cavity. High injection pressures and high gate velocities create atomization phenomena which can negatively affect the final quality of the cast. In order to control atomization process it is essential to understand the atomization patterns and the two-phase flowfield that exist at the gate exit. In the present work, 2D numerical simulations of the flow of molten Magnesium through a high aspect-ratio rectangular gate are performed using a water analogue for an open and closed cavity. The numerical simulations made use of VOF-type (Eulerian) physical models and Lagrangian models. Further, a sub-grid scale model was implemented that, in conjunction with VOF-type equations can efficiently predict the general atomization pattern without the need for high-resolution grids. The numerical results were compared to experimental data for validation.

Jan 1, 2006

By Raymond B. Ladoo

TIIe milling of talc, as is the case with many non-metallic minerals, until recently, has not received adequate technical consideration, for the talc industry has become of importance only within the last decade. At first, talc was used only in the massive form, for foot warmers, griddles, and so on, and milling methods were unnecessary. As the demand for ground talc increased, producers adopted the machinery used in the milling of flour; in fact, many talc mills were rebuilt flour mills. Improvement has been slow, but today several types of grinding and separating machinery are in use; many of them, however, are still inadequate and inefficient. To determine the best methods of milling talc, it is necessary to understand the essential properties a talc must possess to fit it for a particular use. For toilet purposes, whiteness, freedom from lime and grit, fineness of grain, and good "slip" are essential. As a paper filler or coating, the talc must be white, uniform, and fine grained, have a good slip, and be free from grit and iron; freedom from lime is a disputed point. Fibrous talc is supposed to be superior to massive on account of the interlocking of grains in the paper, thus increasing its strength; this point, though, is in doubt. In general, talc for the paper industry need not be of as high quality or as fine grained as that used for toilet purposes. Talc is usually bought by sample, for which reason it is difficult to state the essential properties for use in paint, rubber, roofing, and so on. The adoption of standard screen tests and standard grades by producers is necessary before an accurate basis for manufacturing or selling standards can be established. Off-color talcs might be utilized, as in Germany and Austria, by the establishment of standard grades of colored talcs. The machinery to be used depends on whether the talc is fibrous, foliated, or massive; hard or soft; of uniform or variable grade; pure or impure. In some cases, it is possible to change the mining practice or to utilize different sections of the deposit in order to vary some of these factors, but in many cases these factors are fixed, so the milling must be designed to suit the conditions.

Jan 1, 1922

By G. Aguilera

The mineral suspensions do not present a newtonian behavior as their continuous phase; they can be pseudoplastic, dilatant, or both. The viscosity becomes as the most important rheological variable because the different industrial processes involve a wide variety of rheological scenes, with a specific rheological behavior for each one. Some authors have tried to model the viscosity of suspensions considering the volumetric fraction of solids and others have also kept in mind the size of the particles (Einstein, 1906; Batchelor, 1977; Jinescu, 1974; Krieger and Dougherty, 1959; Tangsathitkulchai and Austin, 1988). Others consider the shear rate (Cross, 1965; Hershel-Bulckley, 1926; Bingham, 1916, etc). However, none of the models is able to simulate the viscosity involving the physical, chemical and mechanic factors at the same time for crowded suspensions. A new model based on Neural Networks is presented, taking into account all the variables of ceramic clay suspensions and chemical additives. Keywords: viscosity, clay minerals, neural networks, simulation, mathematical function

Sep 1, 2012

By William H. Pomroy

The Bureau of Mines, through a 4-year program of combined in-house and contract research, has developed the necessary hardware and software technology to provide rugged, reliable automatic fire protection for surface mining mobile equipment. One element of this program was a continuing effort to help foster rapid mining industry acceptance of the technology by keeping end user costs reasonable. This report is an analysis of the economic impact of surface mining mobile equipment fires and the cost benefit of utilizing automatic fire protection systems to abate these losses.

Jan 1, 1982

By S. E. Stallibrass, A. M. McNamara, J. P. Panchal, Leonardo M. LaLicata

Urban development in congested cities requires a better exploitation of the available surface, leading to taller structures. These buildings are usually founded on piles that have to be increased in dimension to accommodate the larger loads. Consequently, both the cost and the carbon footprint of the pile foundations rises. An alternative option is to improve pile performance by enhancing shaft capacity, which is commonly the most important factor in determining the ultimate capacity of a pile constructed in a clay soil subjected to axial load. For piles in stiff clays, such as London Clay, the soil/pile friction may be increased by profiling the side walls of a bored cast in situ pile with small discrete “impressions” such that the latter form nodules on the shaft of the concreted pile. The results from centrifuge and full scale field tests showed that the impression pile represents a viable technology to enhance the shaft capacity as they provide an increase in capacity of 40%. Alternatively, reduced length impression pile can be used. This paper explores the implications of the impression pile technology on the potential carbon saving.

May 1, 2022

By Heinrich Oscar Hofman

IN THE death of Professor Hofman who was born on Aug. 13, 1852 and died on April 28, 1924, the world has lost a great metallurgist and a great author of metallurgical literature. Measured in time his life was not quite seventy-two years, but measured in work accomplished it was much longer than this. It is not surprising that Dr. Hofman became a great scholar for his father, Karl Hofman, was on the faculty of Heidelberg University, and his early days were spent in these surroundings. He studied in the University under such men as Kirchoff and Bunsen and often spoke of the intimate relations he had with them. Following his course at Heidelberg, he studied at the Clausthal Mining Academy where he graduated with honors, receiving the degrees of Mining Engineer and Metallurgical Engineer in 1877.

Jan 1, 1924

By A Kondratiev, A E. Moiseev

Viscosity of oxide melts is one of the fundamental physicochemical properties that plays a crucial role in important technological and natural processes like slag flow, slag/metal separation, volcano eruptions etc. However, many oxides melt at extremely high temperatures and are highly corrosive in the liquid state, which makes experimental measurement of melt viscosity by traditional experimental techniques a difficult and expensive, if not unachievable, task. In this case it might be useful to employ other methods of viscosity determination such as modelling or simulation. In the present paper the shear viscosity coefficients of selected pure refractory oxides (CaO, MgO, Al2O3 and others) have been simulated at temperatures above their melting points via the classical molecular dynamics and compared to the available viscosity data (eg experimental viscosities, other model predictions) collected by the authors. The simulation has been carried out using the noncommercial molecular dynamics simulation package LAMMPS and the Born-Mayer-Huggins potential, which parameters for the selected oxides were taken from the literature. Several viscosity calculation techniques (the Stokes-Einstein and Green-Kubo equations, the so called Einstein relations, and the non-equilibrium molecular dynamics methods) have been applied to ensure a more reliable viscosity calculation. It has been demonstrated that the simulated viscosity of the selected melts agrees with the available experimental data. It has also been shown that the simulated viscosity of a number of the oxide melts investigated is close to that calculated by phenomenological viscosity models, which supports viscosity extrapolation from the corresponding binaries and ternaries, if no experimental data is present for unary systems. In general, it has been demonstrated that the molecular dynamics simulation could provide a reasonable estimation of viscosity if no other viscosity data is available.

Jun 19, 2024