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By C. A. Rawlins

In an underground mine the ingress of heat can generally be attributed to two sources (Rock exposure and artificial mechanisms). The heat load relating rock exposure is subdivided into stoping [~40%] and haulages [~20%]. Rock is exposed to the ambient air and as a mine increases in depth the VRT (Virgin Rock Temperature) increases which leads to more heat ingress underground. To counter the heat ingress, especially in low-seam stoping areas of a deep level mine, air is, a) cooled artificially, b) the amount of rock exposed is reduced in the back areas of a stope by backfill applications, and c) ventilation air is used more efficiently. The heat reduction within a stope due to placed backfill could amount to ~50% for operations mining at a mean rock breaking depth of about 4500 mbc (metres below collar). Unfortunately, due to backfill transport methods, the physical fluid properties and application methods adopted, additional heat is induced into the air. The heat ingress due to backfill application could amount to as much as 25% of the overall in-stope heat load. This heat influx, seen as a negative aspect of backfill operations, is nevertheless overshadowed by the overall in-mine heat load reduction capability of about 20% attainable. The in-stope benefit [~50%] attainable from backfill operations could be increased with the incorporation of a heat exchange (cooling) methodology to offset the additional heat ingress into the surrounding air of a deep underground mine.

Jan 1, 2003

By Dolly Chakraborty, S. Ranganathan, S. N. Sinha

Experiments were conducted to study the influence of temperature, particle size and ore/coke ratio on the kinetics of reduction. The rate of reduction increased with temperature. The reduction of iron was completed at shorter time intervals at temperature above 1000ºC. Usually the reduction of chromium commenced after the reduction of iron was almost complete. Reduction was controlled by diffusion at low temperatures and by chemical reaction at higher temperatures. The nature of the reducing agent had a very significant influence on the rate of reduction. The study showed that chromium was converted into the carbide during reduction. Increasing the size of the reducing agent increased the rate of reduction initially. After a critical size, the rate of reduction decreased. However, increasing the size of the ore particle decreased the rate of reduction, initially. Beyond a critical size, it increased. An optimum particle size of the chromite ore and that of coke must be chosen, particularly in the production of agglomerates to achieve maximum degree of reduction.

Jan 1, 2007

By P. Valicek, M. Farren, R. G. B. Pickering, G. Harrison, P. van Dorssen, W. Joubert, H. J. van Rensburg

Introduction In South African metalliferous mines, stoping operations are largely confined to narrow, tabular orebodies making mechanization extremely difficult. Limited flexibility in terms of stope width has necessitated drilling by means of hand held, pneumatic rock drills at most of our operations. As the largest producer of platinum in the world, we drill in excess of forty million stope blast holes per annum. Cleaning of the broken ore is also done by conventional means—utilizing scrapers and scraper winches. Conventional methods such as these carry high costs in terms of risk exposure as well as labour intensity. The purpose of this paper is to describe the development of a long hole stoping system suitable for the narrow platinum reefs. The new system had to be substantially safer and more cost effective than conventional mining. We selected a site that was conducive to mechanized mining and set out the parameters that we considered would meet our requirements. We then conducted a feasibility study to evaluate the conceptualized long hole stoping system in terms of specific goals. An analysis of the proposed system identified the Key Performance Indicators (KPIs). One of the most critical goals was to be able to create a man-freestope. This would mitigate the safety risk associated with normal stoping operations, as well as the inefficiency cost previously referred to. Other challenges included setting targets for long hole accuracy, stoping width reduction and specific blasting system performance for long hole stoping. We also modelled a critical span that we considered to be inherently safe and to ensure hangingwall stability, throw-blastcleaning and overall system productivity. Anglo Platinum Research and Development and Sandvik Tamrock entered into an agreement for the supply of a specialized long hole-drilling machine. The system was implemented and tested by the mine with the support of the other participants. The results achieved met our expectations. It was demonstrated that with this method of mining it is possible to have a man-free/support-free stope face and to achieve a reduction in shaft head cost per ton whilst reducing dilution. Key performance indicators assessed during the trial •Safety targets •Mining layout •Drill rig •Production targets •Support requirement •Explosives requirement •Services requirement •Ore removal and cleaning requirement •Training requirement Safety targets All persons involved with the project had to adhere to the mine’s safety programme including the zero-tolerance campaign, and were required to report all hazards observed immediately. Mine personnel and Tamrock carried out a full risk assessment on the drill rig before transporting underground. A further risk assessment was carried out when the machine was in position underground. Mining layout See Figure 1 and Figure 2 for a detailed description. Drill rig The drill rig was a combination of a Secoma P-Low LC 10long hole feed and an Axera low profile carrier. The choice of this equipment was made through consultation with Tamrock Sandvik. All relevant design perimeters of the area to be mined were taken into consideration. Production targets

Sep 1, 2001

By L. Chen, G. A. Brooks, S. A. Nightingale

The dissolution of alumina and magnesia has been investigated using laser scanning confocal microscopy (alumina) and a rotating finger apparatus (magnesia) to assess the effects of temperature, composition and forced convection on the rate of dissolution in CaO-SiO2-Al2O3based slags. The two techniques have differing strengths and limitations, and provide complementary methods for studying dissolution. Alumina dissolution was studied for temperatures from 1477 to 1577°C. Based upon the data, the rate controlling mechanism was thought to be mass transfer control in the slag. The diffusion coefficients for the alumina particles are estimated to be in the range 10-11to 10-10m2.s. MgO degradation for sample rotation speeds of 50 to 800 rpm at 1500 and 1530°C was studied for both congruent and incongruent dissolution. The results show that the rate of dissolution for this is primarily controlled by a diffusion mass transfer mechanism for congruent dissolution except at the highest rotation speed. For incongruent dissolution, the mechanism is much more complex, with the morphology and distribution of the spinel reaction product having a significant effect. At high speeds and prolonged times, mechanical forces played a major role in the degradation process. Keywords; kinetics, corrosion, refractories, dissolution rate, inclusions, mass transfer, slags, steelmaking

Jan 1, 2004

By A. K. Das, S. Pathak, C. Bhanu, P. K. Tripathy

Ferroalloys are integral part of steel melting process. The purpose of using ferroalloys is three fold e.g. killing of steel, modifying the slag composition and steel alloying. Amount of ferroalloys used for alloying is subject to requirements of steel properties e.g. yield strength, ductility, formability etc. Variety of ferroalloys (some-times pure metal) is used by steel industries depending upon their techno-economic feasibility. Size, chemistry and modes of addition of ferroalloys are suitably engineered to bring in operational consistency and cost benefits. Of late, Tata Steel has tried out a few ferroalloys for the first time with interesting results to meet the specific requirements of high strength interstitial free (IF) and micro-alloyed steels. Some of these ferroalloys have been put into regular use with complete or partial replacement of ferroalloys used earlier. Size of one of the ferroalloys has also been modified without any other adverse effects. This paper summarizes requirements of ferroalloys for the steel industry with special emphasis on recent trials.

Jan 1, 2007

By M. Tangstad, H. Brun, P. Calvert, A. G. Lindseth

In 1999, Eramet bought the ferromanganese plants in Porsgrunn and Sauda (Norway) and Marietta (USA). With an ownership in the Comilog mine, the plants will operate with a high amount of Comilog ore. The properties of Comilog ore are reviewed and compared to a number of industrial operations. Important ore properties are chemical and mineralogical analyses, CO reactivity and mechanical strength. The advantage of Comilog ore is its contribution to lower energy and coke consumption. However, special precautions must be taken regarding the amount of fines and water introduced in the furnace, as Comilog ore is more porous compared to other Mn ores.

Jan 1, 2004

By S. R. Sankaranarayanan, T. Sowmya

Slags and fluxes used in metallurgical processes are typically made up of oxides (especially silicates), with additions of fluoride and carbonaceous matter. Despite the efforts made towards understanding the role of slags in various processes, little information is available on the structure of these slags. Tools such as X-ray diffraction, spectroscopy, and electron microscopy could be used for this purpose. This paper is based on an ongoing spectroscopic and structural investigation of slags and related materials. Spectroscopic studies of various commercial slags (predominantly ferrous), ores, glass and related materials, covering a wide range of compositions, have been carried out to understand the structure. The infrared spectra were recorded, predominantly, using FTIR spectrometer (Bruker IFS 66U) spanning 4000 to 100 cm-1using the KBr pellet method. The resolution was typically 4 cm-1. The spectral outputs have been compiled in terms of bands present (corresponding to different bonds) and then compared with the typical bands expected for such bonds. Efforts are in progress to identify the trends with respect to the chemical composition?for example, the effects of SiO2, Al2O3, and non-bridging oxygens. Data obtained so far indicate some trends such as (i) a shift in the Si-O band (969 to 1099 cm-1) towards a higher wave number with increasing silica content (almost 2 to 92 weight percentage) and (ii) further strong shifts as a function of the alumina content. These are being further investigated structurally and in terms of chemical composition/parameters. Keywords: slags, silicates, structure, spectroscopic analysis, shifting of bands

Jan 1, 2004

By A. P. I. Popoola, T. J. Olaniyi, A. A. Adeleke

"A laboratory froth flotation experiment was conducted on a low-grade carbonatite copper ore sample obtained from Phalaborwa in the Limpopo province of South Africa. The sample was a homogenous hydrocyclone overflow which serves as the feed to the flotation cells at Palabora Mining Company (PMC). The sample has an average copper assay of 0.59% with predominant copper-bearing minerals being chalcopyrite, bornite and cubanite. The carbonatite nature of the ore comes from the high content of calcium (28.85%) and magnesium (6.84%) minerals. Collectors used were sodium diethyl dithiocarbamate and potassium ethyl xanthate alongside Senfroth 38 supplied by Senmin. The results showed that at 200 g/t mixture of collectors (50:50), an optimum grade of 8.03% Cu in the rougher flotation concentrate was achieved at 74% recovery, while during the second flotation, 24.65% Cu was obtained at 74.4% recovery using a Senfroth 38 dosage of 6 L/t with 100 g/t mixed (50:50) collectors. The particle size and pH value of the pulp played a significant role in that the mixed collectors performed efficiently at pH above 8.3 and at room temperature while particle sizes greater than 53 µm were well concentrated when compared with those of less than 53 µm. INTRODUCTION The need for copper ore concentration research is on the rise as a result of the depletion of deposits and the advent of low-grade copper ores. Although most copper ore deposits have other valuable minerals that support their economic extraction, the increase in technological innovations as regards copper usage and applications has increased the demand for copper. Several factors influence concentration results in a froth flotation column, of which the reagent used is most influential."

Jan 1, 2015

By G. A. Brown

Major mining projects are developed with the assistance of lending institutions who provide hundreds of millions of dollars in funding over several years, and of course expect those funds to be returned with interest. Two Australian banks have adopted the Equator Principles, an emerging financial industry benchmark for assessing and managing environmental and social risk in project financing. Project financiers have encountered environmental and social issues that are both complex and challenging, particularly with respect to projects in the emerging markets of Asia-Pacific and elsewhere. There are many recent and historical examples of failures by resource companies to effectively manage their environmental, social, safety and security risks, some of which have caused the project to fail completely, and some of which have caused the temporary cessation of production. These events put the financial institutions' funds at risk through inadequate management capacity and non-compliance adversely affecting the ability of the borrowers to repay the loans. They can also reflect adversely on the reputation of the lending institutions. In assessing these risks, lenders are increasingly looking at the track record of the borrower in its country of origin and in other countries where it operates. Lenders are wary of companies that have one standard for operations in a developed country, where the regulatory environment may tightly control what they do, and another standard for operations in countries where the regulatory regime is perhaps less stringent. Lenders may require environmental and social reviews or audits to be conducted on their behalf by competent third parties prior to a loan being approved, and annually over the life of the relationship. The mining industry's concept of the unwritten `social licence to operate' is highly relevant in relation to the delivery of community benefits that are sustainable post-mine closure. This paper provides examples of recent practices that support financial viability and sustainable development, as well as examples of some failures that have put lenders at risk.

Jan 1, 2007

By S. Erçayhan, B. Derin, O. Yücel

In the present study, the production of low carbon ferrochromium (LC-FeCr) from chromite concentrates containing 55.09% Cr2O3 and 13.06% Fe via metallothermic process was investigated. For this aim, in the experiments, the aluminothermic reduction method was applied in an open crucible. 10% CrO3 + 10% NaClO3, 15% CrO3 + 5% NaClO3 and 20% CrO3 by weight of concentrate were added to the charge, respectively and the charge was reduced with aluminium. The experiments were done with the additions of 90, 100, 110, 120 and 130% of stoichiometric requirement of aluminium. The highest Cr content in alloys was found as 71.7% at 120% of stoichiometric Al whereas the highest Cr recovery in alloys was found as 71.8% at 130% of stoichiometric Al when the both charge contained 15% CrO3 + 5% NaClO3 by weight of chromite concentrate.

Jan 1, 2004

By X. H. Zhang, J. G. Cai

This paper discusses the behaviour of large-span tunnels and caverns in hard rock in a major underground storage project. In-situ stresses were measured using hydraulic fracturing during site investigation and 3-D overcoring during construction, with both showing a horizontal stress ratio of 2-3 times the vertical stress. Rock reinforcement design was based on the Q-system combined with numerical modelling for special design cases. Tunnel design and performance were checked and monitored by in-situ instrumentation during rock excavation, including measurements of deformation, convergence, and load on rock bolts. Deformation measurements using borehole extensometers included one borehole drilled into the virgin rock before rock excavation, which provided a direct and very insightful comparison with the various deformation measurements made during rock excavation. These measurements coupled with numerical calculations have proven that the high horizontal stresses to be very favourable to the stability of the large openings.

Jan 1, 2003

By L. A. Cornish

Pt-based alloys for high-temperature applications in aggressive environments have been under development for over 10 years, and are targeted to be used as either as bulk, or as coatings. The alloys comprise Pt, Al, Cr, and Ru, and the microstructure has been improved by composition to a best possible analogue of the nickel-based superalloys, which these alloys could partially replace. This was necessary because the previous best alloy had a strengthening precipitate volume proportion of only approximately 40 vol.%, whereas the nickel-based superalloys have around 70 per cent, and a lower volume would mean that the strength would not be the best that could be obtained. The microstructures were assessed using electron microscopy, and have been related to the alloys? hardness values. The current microstructures are much more like those of NBSAs, with a high proportion of the strengthening ~Pt3Al precipitates. Since the samples have to be small (platinum is expensive), hardness has been used as an indication of strength. Nano-indentation studies showed that the hardness and Young?s modulus were higher for ~Pt3Al than the (Pt) matrix. More extensive oxidation studies have been undertaken on the previous optimum sample, and the effect of cooling rate after heat treatment has also been ascertained. In addition, the samples were studied after different heat treatment times, and cross-sections were made in order to characterize the alumina scale that formed. The oxide scales of Pt-11Al-3Cr-2Ru (at.%) up to 100 h exposure did not spall, and were at least as good as those of the ternary alloys. There was no discernable Al depletion zone in the substrate, although it could have been at a greater depth than thickness of the samples studied. Further additions to the Pt-Al-Cr-Ru alloys have been studied, to increase the melting temperature as well as to reduce the platinum content without compromising the properties. Reduced platinum content would have the benefits of reduced density and cost. The target elements include vanadium and niobium, of which vanadium is of special interest, since it is a South African product. Before these additions could be made, phase equilibria studies were undertaken so that the maximum addition could be ascertained, and also to check any possible ternary phases, which could be deleterious. Work on the Pt-Al-V system revealed a ternary phase, ~V27Pt54Al19 (at.%), which has a eutectic reaction with (Pt). The maximum V addition is likely to be around 15 at.%, otherwise ~Pt3V or the ternary phase will form, and not the required (Pt)/~Pt3Al phases.

Jan 1, 2012

By H Zimba, S Sondashi, M Chitambo

By the time a reagent is finally accepted by a mine for use on its plant it could have gone through several screening and evaluation stages. These stages may include laboratory and plant evaluation testwork. This paper outlines the steps that were followed to select, design and implement a frother for KONKOLA COPPER MINES PLC Nchanga Copper Concentrator in Zambia. It discusses initial frother screening work conducted at the Betachem metallurgical laboratory and the subsequent laboratory screening testwork conducted at Nchanga Concentrator. A modified Bikerman test method is discussed which was used to design a frother for the Nchanga flotation plant. The paper also gives an account of several plant scale trials conducted on Nchanga flotation plant and discusses the plant results, frother consumption patterns and some commercial concerns, before the product was finally accepted by the mine.

Jan 1, 2007

By Deon van Tonder, Bert Van Hege

Comparison of various technologies for uranium recovery from sulphuric acid leach solutions shows that Resin-in-Pulp (RIP) and/or Solvent extraction (SX) based processing routes are usually cost effective (11). A combined RIP-SX recovery-purification route and a CCD-SX recovery-purification route were investigated and optimised. The design basis used for the investigation was a production rate of 200 kg/h U3O8 over a solution concentration range of 40 to 1500 mg/L U3O8. The OPEX for the RIP-SX processing route was found to be sensitive to the variation in uranium concentration in the leach liquor. One of the main drivers for this trend is the leach acid concentration. Conversely, the CAPEX of the CCD-SX processing route was sensitive to the uranium concentration in the leach liquor. The leach acid concentration only affected the OPEX of the CCD-SX processing route modestly, as the bulk of the acid is recovered in a pre-leach circuit. Contrary to expectation, the effect of extractant loss assumptions on the overall processing route economics was found to be modest to insignificant. It should be noted that the CCD-SX processing route OPEX was more sensitive to extractant loss assumptions than the RIP-SX processing route OPEX. Economic optimum wash ratios were determined for the CCD-SX processing route and increased with leach concentration ? the increase in wash ratio was less than proportional. A 5-stage CCD configuration was found optimal over the concentration range investigated.

Jan 1, 2007

By I. K. Craig, F. R. Camisani-Calzolari

Defects which occur at the surface of a continuously cast slab impede the throughput of final product, because an extra stage in the process is required to grind the defects away before further processing can take place. Defect prediction and the minimization of the occurrence of defects is required. The use of two models to define the defect propagation is explained. Both models are derived using system identification techniques such as auto-regression with exogenous input(ARX). One model is used to determine the effect of manipulated variables such as casting speed and measured disturbances such as mould level on temperatures within the mould. The other isused to determine or indicate the effect of the mould temperatures on the occurrence of defects such as transversal cracks. The latter model can be used to predict when the defects will occur and the former can be used to control the occurrence of the defects. Keywords: continuous casting, surface defect, control system, predictor, system identification, ARX

Jan 1, 2003

By M. Ng

As part of a long-term study of titanium minerals processing being undertaken by the Julius Kruttschnitt Mineral Research Centre, techniques have been developed to measure the resistivity of ilmenite, rutile, zircon and other associated minerals. The techniques have proven reproducible and have allowed the measurement of resistivity under conditions of varying temperature, surface condition and surface moisture adsorption. The measured values can be linked to the separability of the minerals in the dry plant, and hence are useful as a diagnostic test for existing plants when performance deteriorates, or for greenfield sites to investigate potential problems. One of the major problems in electrical separation of titanium minerals is surface coating on the mineral grains. Coatings can make normally conductive minerals such as ilmenite and leucoxene behave much more like non-conductors. Electrical separation of surface contaminated ilmenite from non-conductors then becomes extremely difficult unless the surface contaminant is first removed. The resistivity measurement technique was used to evaluate the effect of surface cleaning on the resistivity of ilmenite and zircon from a Western Australian deposit which will shortly be in production. Ten different attritioning methods were evaluated, ranging from simple rinsing inwater to chemical attritioning in sulphuric acid combined with ultrasonic leaching. A roasting and quenching step was also investigated. As would be expected, the gentler treatments, such as rinsing in water or Calgon, had only amoderate effect on the ilmenite surface coatings. Ilmenite resistivity decreased by about 1 order of magnitude from 5.6 x108?m to between 2.5 and 4.4 x107?m. More intense treatments had a much more pronounced effect. The most effective, reduced ilmenite resistivity to 6.5 x105?m or three orders of magnitude. Zircon was relatively unaffected by any of the attritioning methods, with only a small increase in resistivity observed from 8.0 x1012?m to 2 x1013 ?m. The results show that measurement of mineral resistivity allows the effect of surface treatments to be easily quantified in a way that has benefits for greenfield site development where only small samples are available for testing. The effect of surface moisture has also been investigated using resistivity measurements. Measurements were made on zircon in an environmental chamber in which both humidity and temperature could be closely controlled. Zircon resistivity at 60 deg C decreased from 6 x1011?m at 5% relative humidity to 8 x108?m at 95% humidity. Moisture content and moisture re-adsorption from dry of zircon and number of other minerals were measured using a Mettler moisture analyser. Zircon adsorbed the least amount of surface moisture (0.05–0.09%) but re-adsorbed moisture from dry the fastest, reaching 98% of the original level in 10 minutes. Leucoxene adsorbed the most moisture (0.67%), but was much slower re-adsorbing this moisture from the dry state, reaching only 63% of the original level in 10 minutes. The difference was attributed to the surface characteristics of the grains, the leucoxene being much more porous than the zircon examined. The resistivities and differing rates of moisture adsorption can be used to quantify the effects of changes in atmospheric conditions of the performance of electrical separation in dry plants.

Jan 1, 2003

By B. R. Broekman, D. W. Penman

Discussion by P.J Lloydt Broekman and Penman describe (J.S. Afr. Inst. Min. Metal., vol. 91, Aug. 1991, p. 261) the addition of sodium cyanide and zinc sulphate to the flotation feed at Prieska. They note that for 'safety sake, lime was added to the rod mil to raise the pH to 9,5', and that 'personnel working in the vicinity of the rod mil were required to wear gas masks'. Author reply to P.J. Lloyd We thank Dr Lloyd for his interesting contribution. As he correctly points out, the Prieska float had run with cyanide solutions at pH values of 6,4. In fact, it ran safely for extended period with the pH slightly below 6.

Jan 1, 1991

By E. Pezennec

A voluntary comprehensive environmental Risk Assessment was launched at the end of 2004 by the International Chromium Development Association. The completion is scheduled for mid 2006.EURAS, a leading environmental consultancy, was commissioned for this project, as this firm wrote in particular the Metals Environmental Risk Assessment Guidelines, the reference document for the metals and metals compounds, in particular for the forthcoming European new Chemical Policy and the Globally Harmonized System for the Classification and Labelling of Chemicals (GHS). This project follows a stepwise approach, comprising 3 distinct steps: - Initial Risk Assessment: compilation, evaluation of the existing effects and exposure data for chromium III compounds and chromium metal. This information will be used for the compilation of an initial Risk Assessment Report. - Data gap analysis: which type of additional effects data should be collected and/or which exposure scenarios merit a more detailed targeted risk assessment? Recommendations and/or suggestions for further research will be formulated. - Road map: prioritization and ranking of the different proposed research programs. The presentation will mainly focus on the results and recommendations of the initial environmental Risk Assessment from an International perspective and not from an European point of view. - Hazard assessment ? definition of the Predicted Non effect Concentration (PNEC) for each environmental compartment (water, sediment, soil) - Exposure assessment ? definition of the Predicted Environmental Concentrations (PEC) for each environ-mental compartment - Comparison of the local PEC with PNEC for the chromium III compounds and chromium metal EU industry sectors covered in the project: mining of chromite, metallurgical production of chromium metal, chromium containing alloys production, production of trivalent chromium chemicals and the main applications (pigments, leather tanning, etc..). The current status on the environmental Classification and Ranking for chromium III compounds, Chromium metal and its alloys in the GHS will also be covered.

Jan 1, 2007

By U. Kumar

Product designed characteristics like reliability and maintainability affect maintenance cost, service performance, and therefore product support strategy must be defined during design stage in terms of these two dimensions. Furthermore product support and service delivery strategy has considerable influence on the total life cycle cost and the economic viability of industrial systems/products. he paper presents a concept for the development of service delivery strategy for industrial products with a special reference to mining systems. In this paper we emphasize that the strategy for product support should not be centred only on ‘product’ but it should also take into account the service delivery capability of the manufacturers/suppliers and users service organization, users competence and capability, product use location, logistics and infrastructures, etc., to arrive at the best performance and economic results. Such strategy should invariably include services supporting the client apart from considering services supporting the product. The discussion in the paper is based on the experiences from the manufacturing industry engaged in manufacturing of mining systems and the observed trends in technology and management of operation and maintenance of mining systems. Keywords: Maintenance and product support, Service supporting client, Service delivery strategy, Products reliability and maintainability, Product use location, Operating environment, etc.

Jan 1, 2003

By D. Zhou, T. Hamano, Tsukihashi. F., W. -G. Seo

The thermodynamic properties for the CaO-CaF2and CaO-BaO systems were calculated by molecular dynamics (MD) simulation using Born-Mayer-Huggins type pair potential. The parameters of interatomic potential were obtained by fitting the thermodynamics properties of CaO, CaF2and BaO with the experimental data. The phase diagrams for the CaO-CaF2 and CaO-BaO systems were calculated by the thermodynamic properties obtained by MD simulation. The eutectic composition and temperature of the CaO-CaF2system calculated by MD simulation were about 28 mole per cent CaO and 1575K, respectively. The calculated eutectic point agrees very well with experimental data, which are about 22 mole per cent CaO and 1633K, respectively. Keywords: molecular dynamics simulation, thermodynamics, phase diagram, calcium oxide, calcium fluoride, barium oxide.

Jan 1, 2004