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By John Ralston, Stephen Grano, Yongjun Peng, Daniel Fornasiero

"A specially designed mill which allowed the control of pH throughout grinding was used to study the effect of rgrinding conditions on galena flotation and galena separation from pyrite. The various reactions occurring on the mineral surface were investigated by a range of techniques, including OH- addition to maintain the grinding pH, EDTA extraction, XPS and ToF-SIMS measurements.Galena flotation and galena separation from pyrite were strongly dependent on the metal oxidation species produced on galena and pyrite surfaces under different grinding conditions. Iron oxidation species depressed both galena and pyrite flotation, whilst lead oxidation species activated pyrite but had little effect on galena. Optimum galena flotation and galena selectivity against pyrite were achieved by selecting grinding conditions that enabled lead and iron oxidation production to be controlled."

Jan 1, 2003

By Leon Lorenzen, Charlene Gokhale

"In excess of 24 x 106 tons (Eskom, 1997) of coal-derived fly ash is produced annually in South Africa for the production of electric power. A large quantity of this ash is disposed of as a solid waste in landfills, thus posing a serious environmental problem. Due to the shortage of landfill sites, new ways of utilising fly ash are needed. Recently several authors have shown that various combustion fly ashes can be converted into zeolites to obtain industrial products with applicability in environmental management. Geopolymerisation has emerged during the last few years as a possible solution to some waste stabilisation and solidification problems. henolic compounds have been shown to be toxic to soil microorganisms at the parts-per-million level. Indeed several of the organic compounds classified by the U.S. Environmental Protection Agency as priority pollutants, are phenols. Immobilisation of phenols by adsorption on zeolites and encapsulation in a geopolymer appears to be a promising solution to this problem.This paper reports a technique for the production of a low-silica sodium zeolitic material from fly ash (zeolite NaP1), and its application for the stabilisation of phenols by adsorption and subsequent encapsulation in a geopolymer matrix. A commercial zeolite, clinoptilolite was also utilised as an adsorbent. Due to their uniform pore sizes and large surface areas, zeolitic materials are suitable for ion exchange and adsorption of certain organic substances. Adsorption data show that the commercial zeolite, clinoptilolite was an effective adsorbent for organics. Adsorption data showed that between 51.2 ppm and 74.3 ppm of chlorophenol or between 15.4 ppm and 32.5 ppm of phenol could be adsorbed. Physical encapsulation of the coated zeolite loaded with organic within a geopolymeric matrix increased the compressive strength of the matrix from 28.80 kN to 40.79 kN. Leaching data for the various geopolymer matrices with encapsulated and loaded zeolites show no organics being leached from the system at a detection level of 2ppm. According to the SABS these would have been acceptable organic concentrations within a waste water stream."

Jan 1, 2003

By Gerke Gilian, Pretz Thomas, Pehlken Alexandra

"The evaluation of health hazards within the treatment of mineral and waste materials is gaining more and more importance in industrial countries. The need to control occupational safety has been recognised, and regulations which describe general protective measurements for personnel provide a tool to protect their health. It is the aim of the paper to give an outlook for practical approaches to risk assessment and to present measures for exposure reduction in accordance with the state of the art in Germany.Both the treatment of minerals and of waste materials are described in relation to the risk assessment. The method of evaluating health hazards in the two industries is similar and therefore both examples are presented next to each other.The example presented in the paper is the German “Biostoffverordnung” (the regulation for biological materials) which is important for the waste treatment industry. All kinds of waste treatment facilities (like composting facilities, waste dumps, sorting facilities for packaging materials) are obliged to carry out an assessment of health hazards for a variety of working areas and working places. The possible safety requirements deriving from this regulation are presented and discussed under the aspect of biological hazards.All over the world each country has different guidelines and regulations but all have one target in common – to protect the employees. This can be achieved through a good management system of occupational health and safety. Therefore the health hazards have to be known and assessed.Principles of the assessment of health hazards are described through:Data collection on siteData evaluationAssessment of health hazardsDocumentation"

Jan 1, 2003

By Vladimir P. Nebera, Kostas A. Matis, Piotr M. Solozhenkin, Anastasios I. Zouboulis

"Considered combination of two processes-selective sorptions of metals on biosorbents, inorganic sorbents and their following flotation by dissolved air(DAF). The process of biosorption, using as sorbent suspended non-living biomass (of Streptomyces genus, S. clavulgerus and S. griseus, fungi-Penicillium chrisogenum and Phizopus arrhizus, active slime) in fine particulate dispersion, combined with the application of flotation, for the consequent solid / liquid separation of metal-loaded biomass, has been studied for the removal of toxic and noble metals from dilute aqueous solutions. Biomass of microorganisms possesses great sorptive capacity, exceeding capacity of synthetic and natural sorbents. For instance, Micrococus luteus sorbed gold for 2h Au 253mg/g.The optimal conditions of effective flotation (more than 90%) of actinomyces biomass, loaded with toxic metal-cadmium were found. The adsorpbing flotation technique for copper, arsenic (III, V), chromium removal of metals on pyrite mineral fines (suitable industrial by- product) is an effective process.Dissolved-air flotation was also apllied in the case of dolomite/lead aggregates removal. A fatty acid was used as a flotation surfactant. The presence of dolomite fines aids the efficiency of the process, in comprarison with the flotation of alone lead hydroxide.A laboratory investigation was undertaken on the gold-thiourea system over the whole pH range, aiming at the separation complex of gold [Au(CS(NH2)2]2+ by flotation from dilute solutions. The reagents were found to improve gold recoveries remarkably: the recovery reached over 95%. A separation technique has been investigated, involving gold adsorptionon powdered activated carbon. Foam flotation was employed for the subsequent solid/liquid separation, using sodium oleate as surfactant. The content of Au were 500 mg/L in froth and recovery gold about 100%."

Jan 1, 2003

By Peter N. Holtham, Mary M. Ng

"Resistivity measurements of minerals in the laboratory are commonly made with a low DC voltage source. Common test voltages specified in the ASTM Standard D257 are 100, 250, 500, 1000, 2500, 5000, 10000 and 15000 V, however 100 and 500 V are the most frequently used. Resistivity results obtained in the laboratory have been used to infer the electrical behaviour of minerals undergoing electrostatic separation. However because the voltages employed in electrostatic separation in the plant are of the order of thousands of volts, typically greater than 15000 V, whether the laboratory results are applicable as a predictor of plant performance is a critical question. It is unclear whether resistivity values taken at a low voltage are characteristic of those seen in electrostatic separation, in which the minerals are exposed to a much higher voltage. No definitive answer could be found in the literature.In this work, the resistivities of zircon, rutile and ilmenite were measured in a corona field for the first time. The measurement principle was based on a technique developed to measure fly ash resistivity in electrostatic precipitators, however the test apparatus and findings are novel.Resistivities of rutile and zircon were found to be easy to measure. The values measured in a corona field were several orders of magnitude less than those obtained with a dc voltage of 100 V. Evidence of back corona was observed with zircon. When the voltage drop was greater than the sample layer could withstand a localised electrical stress developed, resulting in a voltage breakdown, at which point a sudden surge of corona current (back corona) was detected in the sample layer. Rutile, on the other hand, exposed to the same conditions as that of zircon (i.e. same temperature and applied voltage) did not exhibit any sign of back corona. Its resistivity across the range of test voltages (14 to 33 kV) remained fairly constant."

Jan 1, 2003

By K. A. Natarajan

Interaction with microorganisms results in significant surface chemical changes on minerals. For example, chemolithotrophs such as Thiobacillus ferrooxidans and Thiobacillus thiooxidans significantly alter the surface chemistry of several sulfide minerals such as pyrite, chalcopyrite, sphalerite and galena. Heterotrophic bacteria such as Bacillus sp. could alter the electrokinetic properties of oxide minerals such as hematite, alumina, silica, kaolinite and calcite. Microbe-mineral interactions could thus be beneficially utilised in mineral beneficiation as different from bioleaching. Microbially induced mineral beneficiation unlike bioleaching deals with interfacial phenomena at mineral-solution-bacteria interfaces and surface chemical changes are brought about at very rapid rates amounting to a few minutes resulting in mineral separations in an aqueous medium.

Jan 1, 2003

By Natalie J. Shackleton, Deryck de Vaux, Cyril T. O’Connor, Vratislav Malysiak

"The major losses of PGM and base metals in the beneficiation of platinum group deposits occur during the separation of gangue from the value minerals by selective flotation. A number of studies have shown that this negative impact on flotation is due to surface passivation, caused by various ions that may originate from the external water supply or, as is likely in the majority of cases, from the oxidation of the mineral surfaces and the grinding media. The objective of the study was to investigate the effect surface passivation and inadvertent activation have on flotation and how this can be managed so as to increase the separation of pentlandite and pyroxene. The aim was to minimise the percentage pyroxene reporting to the concentrate and simultaneously maximise the pentlandite recovery. The testwork incorporates the addition of an activator (copper sulphate), a complexing agent, such as DETA (diethylenetriamine) and a dispersant (polyphosphate) at pH 6 and pH 9 in an attempt to alleviate the surface passivation of pentlandite and inadvertent activation of pyroxene. Both synthetic minerals and plant ores were studied in order to determine the effect surface passivation and inadvertent activation have on mineral surface alteration and floatability. Zeta potential determinations, microflotation, ToF-SIMS (Time of Flight Secondary Ion Mass Spectrometry) analyses, laboratory batch flotation tests and continuous flotation testwork were used as tools to study the surface alteration and/or floatability.Zeta potential determinations and ToF-SIMS analyses showed that copper adsorption is non-selective. Both pentlandite and pyroxene become copper (II)-activated in the presence of copper sulphate and subsequently, in the presence of xanthate, adsorption of the collector will occur onto copper activated mineral surfaces. Zeta potential determinations also showed an alteration of the surface charge in the presence of polyphosphate, thereby inhibiting surface passivation of sulphides by slime coatings due to surface repulsion."

Jan 1, 2003

By M. T. Spyridopolous, S. J. Neethling

"There has been a significant research interest in the stability of single thin films, including prediction of their failure based on disjoining pressure and film thickness experiments and DLVO theory. It is, however, notoriously difficult to correlate information on the failure of a single thin film with measurements of foam stability. This is particularly true for the prediction of dynamic foam stability indicators, such as equilibrium froth height and surface bubble size.An alternative experimental approach to studying single thin film failure for predicting foam stability is to measure directly the coalescence probability between two approaching bubbles in a surfactant solution. These experiments can be performed under different chemical and physical conditions by using a micromanipulator that allows variation of bubble size, surfactant concentration, approach velocity and stationary position. The interface radius of curvature, the time to coalescence and the film area between the bubbles can be measured directly using image analysis.In a foam, the force exerted on the thin film separating two bubbles depends on the local radius of curvature of the Plateau borders and vertices, which depends in turn on the local liquid content. Results from different bubble sizes in the micromanipulator therefore translate into regions of different liquid content in the foam. Small bubbles, having a high radius of curvature correspond to the low-liquid content (Polyhederschaum) region higher in the foam, and large bubbles to the wetter (Kugelschaum) region closer to the liquid-foam interface. Experiments with different holding distances between the bubbles correspond to differences in bubble size in the foam, as the size of the film between the bubbles varies."

Jan 1, 2003

By Kal Sastry, Anshuman Prasad

"Agglomeration of fine iron ore concentrates is carried out in two steps:Balling, which refers to the production of green pellets by tumbling moist fines powders in drums, discs, or cones, and Induration, which refers to the subsequent thermal treatment of the green pellets in straight grate or grate-kiln systems.This paper addresses computer simulation of balling or green pelletization step. The process of agglomeration from a mechanistic point of view can be described as the transformation of moist feed to well-formed species or pellets. The moist feed is composed of fines of infinitesimal size while well-formed species are of finite size and number. These well-formed species undergo changes in their size and number through different mechanisms of agglomerate formation and growth. Nucleation, coalescence and layering are the three main mechanisms that describe the formation and growth of granules during an agglomeration process. A population balance equation enables quantitative description of the evolution of agglomerate size distribution due to the occurrence of each of the mechanisms.A numerical solution for the population balance model is necessary and is obtained by the use of a sizediscretization approach. The numerical solutions provide a suitable basis for the analysis of the agglomeration process. Also a coalescence kernel has been introduced that is capable of describing the simultaneous occurrence of nucleation, coalescence and layering mechanisms. The effect of feed moisture has been described using a moisture factor with an exponential functional dependence on the moisture content. The effect of the feed to seed ratio is modelled by the introduction of a crowding factor. It was assumed that only the feed particles which are much more in number experience a crowding or restricted in space interactions effect. A computer simulation program has been developed with MATLAB as the simulation language."

Jan 1, 2003

By Genrich A. Denisov

Principles of ecologically friendly geo-technologies construction are formulated on the basis of the works of the leading scientists in the field of rational processing of mineral resources of the Russian Academy of Sciences. One of these concepts is a new direction in rotational disintegration of mineral and technogenic raw material with the purpose of effective subsequent enrichment. A large amount of practical experience has been accumulated in the industry on selective destruction by application of vibrational method on initial material with consideration of its physical-mechanical properties and mineral structure. This method is successfully realised in a conic inertial pulverisation devices constructed by Mekhanobr Institute (St.-Petersburg). A new construction of conical-inertial pulverisation with a modification of disintegration force has been developed recently at Mekhanobr Institute. It allows, in some cases, to increase selectivity of subdivision and to avoid over-disintegration. Advantages of “wet” subdivision methods in conic inertial disintegration devices are proved. The efficiency of such subdivision can be increased due to rational use of the phenomenon of a dislocation-dynamic diffusion. Its advantage is proved by the effect on disintegrated material by frequency-modulated variable electrical fields of low power. It was shown in industrial conditions, that the productivity of the spherical mill can be increased by 10 %, and that it also prevents ecologically harmful surface active substances (SAS) in milling zone and it reduces the dust content in the air. The techniques of tentative estimation of efficiency of various proceedings technogenic materials and their classification are created. The scientific fundaments of rational, ecologically friendly technology of processing and regeneration of various kinds of technogenic raw material are developed. A number of effective technologies on processing of wastes is developed and inculcated in concentration factories and metallurgical factories.

Jan 1, 2003

By Paul W. Weiblen, Louis J. Cabri, Rolando Lastra

"Preliminary tests were done to determine whether comminution by electric-pulse disaggregation, or EPD (cf. Rudashevsky et al; 1995), was more effective than using conventional crushing for Merensky Reef ore. A hand sample of the Merensky Reef was sawn in two: then one sub-sample was comminuted to – 2 mm using E-PD at the University of Minnesota, and the other sub-sample was crushed to –2 mm using a conventional jaw crusher at CANMET.The products of the electric-pulse disaggregation and jaw crusher were fractionated by sieving and by a separation using a heavy liquid with a specific gravity of 3.3, because the proportion of platinum-group minerals (PGM) and sulphides to silicate minerals is very low. Thus, four mineral separates were produced: –2000 + 833 µm, -833 +208 µm, -208-µm float and -208-µm sink. All the mineral separates were studied by image analysis (Lastra et al; 1998). The main objective was to determine the liberation of gangue (silicate minerals), chromite, pyrrhotite, chalcopyrite, pentlandite and PGM. In the case of the PGM, a specific image analysis program was written to search and measure these minerals."

Jan 1, 2003

By Chen Shuwen, Yao Zhihua

In the process of thickening dewatering_the motion state of two- phase flow in a thickener has a very great influence on thickening efficiency. The investigation was made using copper mill tailings. In this investigation the authors explored the formation conditions and motion range of density current in the thickening process by model experiments, and analyzed the influence of density current on thickening efficiency. The results have shown that the formation of density current has relations with the structure parameters of a thickener and thickening process. The density current and its forming location affect thickener’s working efficiency. The author measured the motion state of two- phase flow in a 53-m dial. thickener for copper mill tailings under its operation conditions and analyzed the density distribution and motion state of two-phase flow in the thickener. The results obtained by the industry tests have shown that the motion state of two- phase flow in the thickener can be greatly improved by modification of its structure, achieving a great improvement in its thickening efficiency. It is concluded that, a thickener’s working efficiency depends on the formation and motion range of density current in it, which is of great importance to designing and establishment of thickener’s working parameters.

Jan 1, 2003

By Yongfu Yu, Xiaotie Wang, Fuguang Zhang, Liping Che

"Rare Earth water dregs is the drained waste dregs, which contains over 0.2 percent thorium dioxide and about 6-10 percent di-Rare Earth trioxide, which is beyond the standard of draining off that China governments set, so that the Rare Earth water leach dregs must be sacked and laid down in storehouse, which costs lots of money. It is a pity that the RE and thorium compounds very useful elements in industry are discarded. A lot of work must be carried out so that this resource was fully developed.In this paper, four separation techniques of recovery Rare Earth minerals and enrichment thorium element and reduction thorium content of drained dreg for the different test samples of Rare Earth water leach dregs which is radioactive waste dregs got from diverse locus are studied, respectively, and the separation characteristic and the separation process are described, using several combination processes of classification and gravity and flotation separation which were prepared according to the characteristic of test samples and technology. The test results show that the combination processes are the more remarkable separation techniques and the flotation reagents used in test can be applied to utilizing synthetically radioactive waste dregs. Through the combined technique process, three parts of products were obtained, namely, Rare Earth concentrate collected, the thorium product enriched and a large amount of the waste dregs product that can be directly drained and the total quantity is 50%-60%. In order to determine optimum technical condition, the effect factors of separation process were investigated in the test."

Jan 1, 2003

By Hamid-Reza Manouchehri

"The triboelectric charge attributes of some silicate minerals (i.e., feldspar, quartz and wollastonite) after contacting different triboecharging medium made of different materials were studied. The charge acquisitions by different size fractions of minerals were monitored and accordingly the energetic work function values, i.e., the main parameter determining the entity of triboelectric charges acquired by mineral grains, of the examined minerals were estimated. Moreover the separation behavior of different size fractions of these minerals through the electric field of a laboratory free-falling separator when the mineral grains are charged by different tribochargers were observed and considered as the electrical separation potential of the examined minerals.Furthermore, the role of adsorption of different chemical species on triboelectric charge characteristics and charge acquisition of mineral samples were described from theoretical point of view and the effects of some chemical reagents on triboelectric charge acquisition of the examined minerals were studied. In addition the separation behavior of chemically conditioned quartz, feldspar and wollastonite minerals, using different anionic and cationic reagents, through the electric field of a free-fall electrostatic separator before and after chemical conditioning were monitored.Finally an attempt was made to translate the findings from single mineral systems to a complex silicate ore, containing mainly of feldspars, quartz, and wollastonite. Different separation tests under various conditions were conducted to this complex silicate ore. Before passing through the separation device, the ore sample was conditioned by different cationic and anionic reagents and then was triboelectricaly charged by different tribocharging medium in order to find the effective reagent and tribocharging medium for separating silicates. Besides the role of temperature and humidity of the surrounding ambient in separation behavior were considered."

Jan 1, 2003

By Wayne I. van Drunick

"Energy balance modeling has recently been shown to be a competent tool in the estimation of SAG mill discharge rheology. Work performed by van Drunick and Moys (2001) validated the ability of an energybalance filter to estimate the slurry density from an operating SAG mill. The importance of rheological data is highlighted by several authors who show the effects on load behaviour and thus mill performance. Energy balance models were developed to account for the dynamic energies in the mill discharge sump. The models then made it possible to infer the mill discharge density. A sampling campaign was performed and the errors from the sump energy balance were within tolerable limits.Since the initial results were published, it has been decided to further develop the modeling techniques in order to focus on balancing the energies around the entire mill. The critical measurements for the energy balance will be the temperatures of all the streams entering and leaving the mill, including energy losses to the environment. Metso’s OCS© (Optimising Control System) currently controls the 3 SAG mills at Anglogold’s Mponeng Gold Plant (South Africa). The OCS has built-in Kalman filtering tools to effectively handle variances and noise in the models and the mill circuit data respectively. The new models are therefore constructed in the OCS platform, and will be run in parallel with Metso’s current modeling and filtering systems. The work is a collaborative effort between Anglogold, the University of the Witwatersrand and Metso. The benefits of energy modeling, compared to mass modeling, are that energy data are more accurately measurable than mass data. The inferred mill parameters can therefore be improved provided that a competent set of models is produced to process the (accurate) thermal measurements."

Jan 1, 2003

By Hong Nguen Vu, Pavla Ovcarí, Peter Fecko, Barbara Tora

"The goal of the work was verification of bacterial leaching on the samples of black coal. From the results obtained it was clear that the coal is very well leached by Thiobacillus ferrooxidans and this technology can be used for coal desulphurization. A leaching time of one month is required, to remove 65% of total sulphur and 85% of pyritic sulphur.Microscopic evaluation of samples from Jaworzno showed, that it should be classed as a coal with low coalification, probably from black coal hemiphase. Macerals of the liptinite group were well distinguishable; they were of a dark brown colour. Evidence of coal mass oxidation was apparent on the fresh sample; in the test samples (during bacterial leaching) small grains were oxidised."

Jan 1, 2003

By J. B. Rubinstein

"The paper gives an overview of the history of flotation machine development. The laws of their evolution are stated and the place and role of column flotation are demonstrated.The major parameters of column cell diameter and height are discussed. Options are proposed for optimization of the hydrodynamic characteristics of large-capacity column cells. The high efficiency of columns with cell height of 4-6 m is demonstrated. The optimum parameters of multisectional column machines are determined. Their advantages compared to monocells are shown. A scaling-up procedure for column machines was developed based on flotation macro- and microhydrodynamics simulation."

Jan 1, 2003

By Kazimierz St. Sztaba

"Mineral processing – the first technological stage of utilization of mineral – has a very long history. In particular, it revealed and reveals the continuous development and perfection of technological operations and process organization, comprising not only new design solutions and exploitation procedures but also, for example, perfected systems of control and automation as well as methods of process description and result evaluation. During the recent decades the attitude to mineral raw materials was clearly changed, both to the primary ones, i.e. minerals, and to the secondary ones, such as side products and waste, formerly considered useless and at present more commonly used. This results both from the appearance and growth of demand for more and more numerous components of mineral raw materials and also from the necessity of protection of natural resources, constituting the integral part of the system of sustained development of society.These circumstances, and especially the requirements concerning gaining some components which cannot be separated by means of “classical” (used for many years) technological processing operations and aiming at increasing the technological procedures, evoked the necessity of using new technological solutions, applying other basic operations, also the ones characteristic so far for other processing technologies, i.e. chemical, biotechnological and others.These development tendencies, in general commonly perceived, allow us to formulate an opinion that the former state of tasks and processes of mineral processing is being transformed into a qualitatively new form. It can be assumed that this process was signaled by a situation in which, due to the growing role of technological operations based on physicochemical phenomena (flotation and others), magnetic and electrical ones, etc., one should have observed that the former term of “mechanical processing” became inadequate for the real content of the notion determining the discussed stage of mineral utilization, so the adjective “mechanical” disappeared in most languages."

Jan 1, 2003

By Knut L. Sandvik, Erik Larsen

"Estimated global solar energy demand in 2001 required approximately 5,500 tons of silicon feedstock. This required 65,000 tons of quartz. If the trend continues, the solar energy demand in 2010 would require approximately 30,000 tons of silicon feedstock and 350,000 tons of quartz, although the need for quartz probably will be lower than this due to higher solar cell efficiencies, larger and thinner wafers, more extensive recycling of waste material and new routes for the production of silicon feedstock. The raw material requirements for the production of metallurgical-grade silicon are most likely to change. This may favour increased beneficiation of primary raw materials in the future solar cell production chain.SOLAR CELL PRODUCTION CHAIN SCENARIOSThe major problem concerning solar cells is the production costs. Electricity produced from fossil fuels and hydropower plants are currently much cheaper than the electricity produced from solar cells. Also, limited availability of silicon feedstock for the production of crystalline silicon solar cells is considered a major threat to the further growth of the PV industry. The present route for solar silicon feedstock goes from quartz, through metallurgical-grade silicon (MG-Si) and to electronic-grade silicon (EG-Si). The reject from the EG-Si production are further processed into wafers and solar cells. This situation is not satisfying, however, because it has created a silicon feedstock shortage and a PV energy price that is not competitive in a large scale.Crystalline silicon solar cells are the most important solar cells manufactured today. This will most probably remain the situation the next decade. Also, the future silicon ""feedstock"" is most likely not reject from the production of electronic-grade silicon, as it is today. There will probably be a more direct solargrade silicon route, excluding the very expensive electronic-grade silicon ""detour"". Quartzite has been regarded as the most suitable primary raw material used in the silicon solar cell production chain. This may change as the raw material requirements for the production of metallurgical-grade silicon are most likely to change. In addition, quartz or other silica-containing minerals from other rocks may be of a higher purity or contain lesser amounts of the most harmful elements. This favours increased beneficiation of primary raw materials in the future solar silicon feedstock production chain"

Jan 1, 2003

By Pradip, Beena Rai

A molecular modeling study was carried out on an adsorbed oleate monolayer on the surfaces of three calcium minerals, fluorite, calcite and fluorapatite using Universal Force Field (UFF) potentials. The cleavage plane of calcite {104} was the best template for oleate monolayer adsorbed since the surface structure enabled all the calcium sites available on the surface to be occupied by oleate anions. The area occupied per chain of oleate in this well packed monolayer was computed to be 20.2 Å, which exactly matches the value calculated to be the parking area per oleate molecule for a fully packed monolayer based on strictly geometric calculations. On the other hand, the precentage of calcium sites occupied by oleate to achieve a fully packed monolayer in case of fluroite and and fluorapatite was found to be 67% and 75% respectively. The results of this theoretical study suggest that while all the three adsorption conformations, that is unidentate, bidentate and bridging type are equally likely on fluorite and fluorapatite, bridging is most likely on calcite. Interestingly, all the conformations are observed experimentally for calcite-oleate system also. The reasons for this discrepancy between the theoretical predictions and experimental observations are not clear. More work is required to resolve this discrepancy, in particular simulation studies in presence of solvent water molecules on the surface.

Jan 1, 2003