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By Khaled Morsy

The tragic incidents at Sago and Darby coal mines in 2006 pointed out the need for stronger seals to resist the blast effects of violent gob explosions. Mine Safety and Health Administration (MSHA) has published the final rule on Sealing of Abandoned Areas in April 2008. According to the final rule, the mine seals for unmonitored gob areas should withstand an instantaneous pressure of 120 psi. Reinforced concrete (RC) seal is one of the feasible options that can be used to meet the final rule. Concrete is a heterogeneous, cohesive-frictional material and exhibits complex non-linear inelastic behavior under multi-axial state of stress. The increased use of concrete as primary structural material requires the development of sophisticated material models to have an accurate prediction of the material response to a variety of loading situations. The constitutive modeling of concrete has advanced considerably in the past three decades. Choosing a reasonable concrete material model is important in order to obtain an accurate mine seal design. This paper attempts to address the effect of different concrete material models on the response of RC seal subjected to dynamic loads from methane explosion. Three concrete models, from ABAQUS library, were selected to address the effect of non-linear behavior of concrete and damages due to tensile and compressive stresses. In addition, a typical and verified concrete material model was used for conducting 3D finite element models simulating the RC seal by ABAQUS, EXPLICIT ver. 6.6.

Jan 1, 2008

By Robin J. Batterham

We still need to innovate, but it is getting harder. The real price of metals is declining, return on shareholder value is lower than other industries, and there is a shorter-term focus on staying viable in a capital-intensive industry where timeframes for implementation of new technologies can be long (+I5 years). In this environment, the levels of R&D spent by major minerals companies are remaining steady at around 0.2%-0.5% of revenue. This is not large and to remain viable in the future, we need to be smarter about the way in which we do R&D. The mining industry is a knowledge-based industry. Driving down the cost curve demands innovation, which demands knowledge. To be smarter and more effective in our approach to innovation, a new paradigm is required Generating, capturing and using knowledge has evolved from Mode 1 (discipline based and clear distinction between basic and applied research) to Mode 2 (multidisciplinary, team-based approached with flow between basic and applied activities). Mode 2 is now seen to be much more efficient and to deliver better appropriability (Tegart 2003). To survive, we need to innovate, and the best way to do this is collaboratively. Some examples and pointers for the future will be given in this paper. THE CURRENT SITUATION The Rand report and other recent studies have painted a grim outlook for the mining industry. The real price of metals continues to decline (Figure 1) and profit margins remain thin. This is reflected in shareholder returnwhich are well below other industries (Figure 2)-and current management strategies-which reflect something of a "survival mode." The current focus for most mining companies is on short-term, incremental gains

Jan 1, 2004

By Y. P. Chugh, J. Ma

Higher production, better safety standard, and potential for automation are some of the benefits of longwall mining. Today, longwall face advances at a faster rate exposing many diversified rock layers in a short period of time. It is now a serious challenge to cope with ground control problems such as roof falls, face and floor failure, and excessive shield loading as fast as possible to minimize production and monetary losses. In Illinois coal mines, the existence of weak floor strata blow the coal seam may pose additional problems related to floor heaving, shield base punching, and associated roof and face falls. In this study, the effects of weak floor on longwall ground control are analyzed using two-dimensional finite element models. A two-leg 635.6-ton (700-short-ton) yielding capacity shield is included in the models to evaluate the effects of different thickness and material properties of the weak floor. The study indicates that the thickness and material properties of weak floor have significant effects on shield loading, the distribution and intensity of front abutment stress, failure zones in the surrounding strata, roof-to-floor convergence, and floor punching by the shield base.

Jan 1, 2000

By R. L. Grunes, F. K. Kies, C. D&apos, Antonio

THE several studies concerned with the annealing of thin nickel films have largely been restricted to films of a single thickness.1-4 It is well-known, however, that both physical and mechanical properties depend upon film thickness.5, 6 The strength-thickness relations found in vapor-deposited nickel films in the annealed and as-deposited states, as an example, are at least partially due to the density and arrangement of imperfections within the films.7, 8 For these reasons, the annealing characteristics of thin nickel films as a function of thickness were investigated. Electrical resistance was chosen to monitor annealing behavior since resistance changes are partially dependent upon defect structure. In addition, the equations predicting film resistivity as a function of thickness are already available.9, 10 Further advantages afforded by electrical-resistance measurements are its adaption to continuous readings during annealing and its relative simplicity. Nickel films were vapor-deposited, at average rates of 60Å per sec, on Vycor substrates held at room temperature in vacuums of about 10-5 torr. Afterwards, deposition-thickness measurements were made using a multiple-beam interferometric technique. A more detailed description of deposition procedures and the interferometer appear elsewhere.7, 8 The four-probe method was employed in measuring electrical resistance since this technique measures film resistance without contributions from lead wires and contacts. Resistance measurements were made before, during, and after annealing to temperatures of 700°C under vacuums of approximately 10-4 torr. Measurements were made every 25°C or more often when necessitated by unusual resistance changes. Cooling and heating rates were maintained at approximately 5°C per min. Typical resistivity vs temperature curves are shown in Figs. 1 through 4. It is apparent from these

Jan 1, 1965

By A. M. Ramalho

In the synthesis and sintering processes to obtain superhard materials, such as diamond and cubic boron nitride, deformable ceramic capsule is used as gasket to transmit and support the required high pressures and high temperatures, HPHT. The ceramics materials for these capsules should have special physics and chemical characteristics such as refractoriness, shear strength and compressibility. In this work, Bridgman?s anvil made of hard metal or speed steel was used to characterize some ceramics materials in terms of their maximum compressible thickness. Tests were also performed with different resin polymers used as binding mixture with ceramics powder. Chemical analyses and investigations through scanning electronic microscopic (SEM), X-ray and real tests for the synthesis of diamond were also performed. The results showed that local Brazilian calcite can be successfully used in the manufacture of HPHT gaskets.

Jan 1, 2006

By A. C. Maffei, M. V. Lins Gonçalves

Ore concentration processes are a function of the respective particle size distribution; however, most of them do not use an efficient operational method to determine it. From a practical point of view, the surface area can be calculated for any size analysis. The physical principles for determining the size distribution in each method are different, for the results will not be compared directly. During the development of the research project of the sulfide ore flotation method using inert gas, different methods for calculating the specific surface area have been used, such as sieving, sedimentation/X-ray, laser diffraction and BET, i.e. specific techniques to determine the specific surface area of copper and gold ore concentrates. The statistical method of minimum squares was used to achieve practical correlation equations among them. Regarding these two ores, if one knows a specific surface area value using one of the methods above, one can predict the result of the others. Diminution of the reagent consumption was so controlled and it could be even decreased by using inert gas.

Jan 1, 2003

By W. D. Mcmillan

"Magnetic surveys made by the Missouri Bureau of Geology and Mines in 931 and 1932 disclosed a large positive anomaly about a mile south of Bourbon, Mo. 3/ Electrical resistivity measurements made by the Division of Geophysical Exploration of the Bureau of Mines in the winter of 1942-43 indicated that the source of this anomaly was in the pre-Cambrian rhyolite at a depth of more than 1,400 feet. 4/In order to determine the character of the material that caused the magnetic anomaly, which might be either a body of magnetite or a large intrusive of basic rock, the Bureau of Mines drilled four holes to depths of 1,800 to 2,300 feet. Magnetite in rhyolite porphyry was encountered at 1,600 to 2,000 feet, and this is doubtless the main source of the magnetic anomaly, although it is possible that additional iron ore exists at greater depth.Hole 1 was apparently located southeast of the source of the anomaly and encountered only small stringers of magnetite. Hole 2 penetrated four mineralized zones having a total thickness of 125.7 feet and an average weighted content of 43.52 percent iron and 31.62 percent silica. These zones were tested again by a deflection hole, 2A, which gave nearly identical indications. Hole 3, 500 feet north of hole 2, penetrated 58 foot of mineralized rhyolito containing an average 43.4 percent iron.Metallurgical tests showed that the silica in the ore is tightly locked with the magnetite. After grinding to minus 100 mesh, a 66 percent iron con¬centrate with 7 percent silica was obtained by flotation."

Oct 1, 1946

By S. Ragab

The objective of flotation models is to predict the recovery rate of minerals from a flotation cell. In this paper a CFD?based flotation models is presented. The model uses first order rate equation, and the collision frequency is estimated using Abrahamson [1] model with input from CFD two-phase simulations. Spatial distributions of dissipation rate and air volume fraction (also called void fraction) are determined by the two-phase hydrodynamic simulations. Knowing these parameters throughout the machine is essential in understanding the effectiveness of different components (rotor, stator or disperser, jets) on the flotation efficiency. Not only the average pulp recovery rate can be estimated but also the regions of high/low recovery rate can be identified. The CFD-based flotation model presented here can be used to determine the dependence of recovery rate constant at any locality within the pulp on particle diameter, particle specific gravity, contact angle, and surface tension.

Jan 1, 2012

By M. Gouet-Kaplan, J. A. Finch, S. Gélinas

Methylisobutyl carbinol (MIBC) and methoxy polypropylene glycol (Dowfroth 250) bubble thin films were characterized by composition and thickness determinations, using FT-IR spectroscopy and UV-Visible spectrophotometry, respectively. The infrared investigation indicates that the role of frother molecules in creating bubble thin films is based on their effectiveness in inducing H-bonding reorganization of the surrounding free water molecules into a coherent network. From UV-Visible interference patterns, it is found that MIBC forms films with a measured critical end thickness of less than 160 nm, compared to 612 ± 30 nm for Dowfroth 250. The observed values of the free water layer thickness are comparable at 5.65 ± 0.28 µm for MIBC and 6.75 ± 0.34 µm for Dowfroth 250. A higher stability of an MIBC bubble over a Dowfroth 250 bubble is related to the different polarization and orientation of the molecules sustaining the boundary surface water network. The findings are used to explain the different action and associated froth characteristics of the two common industrial frothing agents.

Jan 1, 2006

By D Craw, C Smith, C Rufaut

Oceana Gold (NZ) LtdÆs, Macraes Gold Operation currently has two tailings impoundments, the larger of which covers approximately 75 ha. When an impoundment is temporarily out of use, the surface dries and dust can be blown from the surface to the surrounding area. At present water spraying is used to stabilise the surface, but this is not ideal as Macraes mine can experience water shortages during the summer. This paper examines an alternative method of surface stabilisation using vegetation as a ground cover. The tailings have a low natural fertility, so it is important to determine what will actually grow in the tailings, and whether amendments are necessary. Also important is the effect of the amendments on arsenic mobility in the tailings as the schist rock at Macraes has naturally elevated levels of arsenic. Three plants species, rye corn, barley, and lupin, were grown in metre-deep lysimeters at Macraes mine site. The plants were grown in unaltered tailings, and tailings with one of two amendments added: Bioboost (an organic fertiliser containing biosolids), and superphosphate fertiliser. The leachate from each lysimeter was collected and analysed monthly to determine the extent of arsenic mobility. In addition, laboratory experiments were set up to determine arsenic mobility in tailings with amendments at the centimetre scale.   All plants grew best with the fertiliser amendment, with rye corn growing the best overall. Plants growing in unaltered tailings either barely survived (rye corn, barley) or died (lupin). Plants in the Bioboost amended tailings grew only slightly better than in the unamended tailings. Laboratory experiments indicate that the addition of phosphate fertiliser greatly increases arsenic leaching at the centimetre scale when compared to unamended tailings. The addition of Bioboost only marginally increases arsenic leaching, compared to unamended tailings. This trend has not been repeated in the lysimeter trials on the metre scale over four months. Current results suggest that of the plant types trialed and amendments used, rye corn with superphosphate is the most practical short-term tailings stabilisation method at Macraes.

Jan 1, 2004

By Johnna Muinonen

"The Thompson Mill processes ores from the Thompson and Birchtree Mines. While the Thompson ore has very little magnesium containing gangue, the Birchtree orebody consists of veins of massive sulphide in a rock matrix that contains a high proportion of magnesium silicate minerals. A significant fraction of the magnesium is floatable, which lead to MgO levels varying from 3-11 wt% in the Birchtree concentrate. The magnesium in the concentrate causes a higher operating temperature in the smelter, reducing furnace life.Birchtree ore represented 20-30% of the mill ore receipts prior to October 2003. Since then the fraction of Birchtree ore has increased to 50%. A reduction of the MgO in concentrate to less than 3% in the total mill concentrate was required to allow safe and economic smelter operation.In October of 2002 a miniplant was set up to simulate the Birchtree plant circuit. Several flow sheet modifications were tested that led to a proposal for a circuit having increased cleaning capacity for the scavenger concentrate and a recleaner on this concentrate. Addition of CMC in rougher cleaner feed was also found to be required. The solution was confirmed through pilot plant testing in the mill in December of 2002. A full-scale installation was designed, engineered, and installed between February and September of 2003 with commissioning in September and October of 2003. Target metallurgy was achieved one week after start-up on slurry to coincide with the Birchtree Mine tonnage increase. This paper highlights the development, design and commissioning stages of the project.The new MgO rejection circuit has successfully allowed the processing of Birchtree ores producing concentrate consistently below 3% MgO. In addition, the new circuit increased overall nickel recovery in the mill.INTRODUCTIONThe Thompson Nickel Belt located approximately 700km north of Winnipeg was discovered in the early 1950’s. Inco first produced nickel from the area in 1960. Over the years the mill has processed several ores from different ore bodies in the area. Currently the Thompson Mill processes two significantly different ores from two mines, Thompson and Birchtree. The Thompson ore is a massive sulphide orebody hosted in schist, containing feldspars, quartz and biotite. Thompson Ore is characterized by high nickel recoveries and clean, low MgO containing concentrates (<2.5% MgO). The Birchtree ore is ultramafic and contains a high percentage of Mg-silicates such as serpentine, chlorite, biotite, amphiboles and talc. Some of these Mg-silicates report to the nickel concentrate and prior to commissioning of the MgO rejection circuit the Birchtree nickel concentrate typically contained 5-8% MgO"

Jan 1, 2006

By Ren G. Dong, Richard McCormick, Dan E. Welcome

Vibration exposure at workplaces is generally multi-axial. The health effects of vibration exposure also likely depend on the vibration direction. Therefore, there is a wide interest in the simulation of multi-axial vibration in laboratory experiments. Advances in technology have led to the development of a new 3-D test system for studying hand-transmitted vibration exposure and health effects. The purposes of this paper are to introduce the system and to present the results of its preliminary evaluations. Test System As shown in Figure 1, the system is basically composed of three vibration generators, a multi-axis vibration control system, instrumented handle, handle fixture, and shaker-fixture linkages (stingers). [ ] Figure 2 shows the array of three vibration generators (MB Dynamics, Energizer BLACK-500 lbs) and their associated support bases and foundation developed by MB Dynamics (Cleveland, USA), which create the 3-axis simultaneous motion. These electrodynamic exciters are powered by power amplifiers which provide current proportional to the analog drive signal from a controller. The controller (JAGUAR Multi-Input/Multi-Output closed-loop vibration controller) was provided by Spectral Dynamics, San Jose, California, USA). NIOSH-designed instrumented handle was equipped on the system.

Jan 6, 2006

By H. E. Urtubia

"BHP-Billiton’s Minera Escondida Limitada, in Chile, is one of the world’s largest copper producers. It treats a combined 10,500 tph of copper ore through its two concentrators: Los Colorados and Laguna Seca. The performance of the rougher circuit at each concentrator was measured and analysed using the JKTech flotation optimisation methodology. This involved developing a flotation model for each concentrator based on cell operating parameters (for example bubble surface area flux and froth recovery) and feed ore floatability characteristics. The rougher circuit performance was evaluated in terms of traditional measures, such as grade and recovery. The operation was also analysed using the measured cell operating parameters and ore floatability and the effect of these with regard to performance (grade / recovery) was assessed.This paper presents a comparison of the rougher circuit at each concentrator in terms of these parameters. The main differences in rougher circuit performance between the two plants were attributed to differences in feed ore floatability characteristics and froth recovery. The comparison highlighted opportunities where performance improvements could be made. The study also showed the usefulness of separating the flotation process into easily measurable subprocesses to further identify the different mechanisms occurring in each rougher circuit. Traditional measures like grade and recovery are useful for monitoring flotation operation but this data lacks the depth to determine the root cause behind operational issues. Determining the operating parameters and ore floatability provides the operating plant metallurgist better tools to assess and manage these issues."

Jan 1, 2006

By Jan J. Cilliers, Nicolas Barbian, Esther Ventura-Medina

"Froth structure and stability are known to play an important role in determining flotation recovery and selectivity. An industrial sampling campaign was performed to develop a clearer understanding of the effect of flotation variables on froth stability and the role played by the resulting stability on flotation performance.Froth stability was estimated as the fraction of bubbles bursting on the surface of the froth through image analysis and the solids loading on the bubbles at the top surface. The image processing was performed using the Smartfroth software on the top surface of the froth. The system gives measurements of bubble size distribution, average bubble size and froth velocity. The froth velocity was used to estimate the volume of bubbles overflowing the weir yielding to the fraction of air overflowing the cell. This measurement is the complement of the rate of bubble bursting on the top surface. Also samples of the lamellae were taken by touching the top surface of the bubbles with a glass slide. Then, the amount of solids and liquid per unit area in the bubble lamellae was estimated gravimetrically. Both measurements were used to establish stability criteria.It was generally found that high air flowrates resulted in a drop of froth stability showed by a drop in the fraction of air overflowing and a decrease in the solids loading and simultaneously produced low copper recoveries and low concentrate grades. Deep froths only allowed a small fraction of air to overflow and consequently produced low recoveries. An increase to high frother dosage did not result in an improved fraction of air overflowing, hence producing low recoveries. Likewise, low frother addition only allows low recoveries because the resulting unstable froth cannot support itself. Low aeration was found to be preferential as it allowed high particle loading, therefore high bubble stabilisation, and low gangue entrainment, resulting in the highest flotation performance."

Jan 1, 2003

By Elzbieta Mielczarski, Jerzy A. Mielczarski

"It is well documented that xanthate adsorption on sulphide minerals is electrochemically controlled process. Under well controlled potential conditions the adsorption of xanthate takes place at different potential on each mineral, hence, each mineral component can be selectively separated from ore. This was demonstrated in the past for single mineral systems. In real flotation this concept never works out for two reasons: the potential of single mineral particle results from its interaction with solution as well as from galvanic contact with other particles present in the flotation pulp. Thus, the potential of a single particle results from complex surface reactions controlled by solution chemistry and the presence of other mineral particles that also interact with the solution. In flotation it is not possible to control mineral particle potential as it was demonstrated in voltametric studies of single mineral.In this study adsorption of xanthate on pyrite, galena and chalcopyrite has been investigated in the presence of those minerals. The second mineral was in solution: (i) without any physical contact with the first one, (ii) in direct contact (non-liberated grain or connected by wire), (iii) in collision type contact similar to that observed in real flotation.The adsorption of amyl xanthate on pyrite, galena and chalcopyrite was monitored by infrared external reflection technique directly on mineral surfaces. Type of the adsorbed species and their amount were concluded from the recorded reflection spectra. The presence of second mineral in solution without any physical contact does not influence adsorption. The minerals behave as if they were separated (at least during 30 min of the experiment). However, any type of galvanic contact between grains of two different minerals has tremendous consequence on the adsorption of collector on the both minerals. The detected changes are dramatic, from no adsorption to a few monolayer coverage formation.For example, pyrite that adsorbs amyl xanthate strongly in single mineral system in its galvanic contact with galena practically shows no adsorption of the collector in the same solution conditions. On contrary adsorption of xanthate on galena is tremendously enhanced during the galvanic contact with pyrite. The observed changes in the surface reactions are discussed and mechanisms of xanthate interactions in different galvanic contact are proposed."

Jan 1, 2003

By Atsushi Shibayama, Toyohisa Fujita, Luo Lin, Toshio Miyazaki

A novel process is developed in this study for separation of tungsten and vanadium from a leach solution of tungsten alloy scraps. Specifically, a magnesium salt combined ammonium solution is employed to precipitate vanadium and impurities in the purification of the leach solution. This separates vanadium from tungsten by rejecting tungsten in aqueous solution. Finally, tungsten is recovered as the form of ammonium para-tungstate (APT). Vanadium is recovered as the form of ammonium meta-vanadate(AMV).

Jan 1, 2003

By Ralph J. Holmes, Victor Sharp, Steven J. Spencer, CSIRO Minerals, Kevin J. Davey, Jonathan J. Campbell, Peter L. Phillips

"Improved measurement tools for monitoring and control of AG/SAG mill performance have a high level of interest in industry. Historically, acoustic emission monitoring has been widely used on SAG/AG/ball mills and hydrocyclones to provide new information on the conditions inside these devices affecting their performance. The current work was focused on a new technique using surface vibration monitoring of a number of pilot-scale and production-scale AG/SAG mills to yield insights into the events occurring in the mills. The development of relationships between signal analysis outputs and mill operating conditions can be used for soft-sensor measurement of mill process variables. The technique used an array of accelerometers mounted on the mill lifter bolts linked to a fast data acquisition system which monitored the surface waves generated during operation. Details of the system are presented. Mill operating variables were adjusted systematically to provide a wide range of operating conditions for surface vibration signal collection. The experimental approach is discussed.The signals acquired during the experiments were analysed using a range of techniques. The results show that strong relationships exist between measured vibration power (both total power and within certain frequency bands) and mill load level/power and mill speed. A new method for extraction of power spectral density and band power information on features of interest in a mill rotation cycle is also presented."

Jan 1, 2003

By Jurgens J. Louw, Vincent C. Smith, Gareth C. Smith, Agit Singh, Dave G. Hulbert

"During 2000 Mintek Developed the PlantStar plant wide control platform for the minerals processing industry. The flexibility of the PlantStar control platform has enabled Mintek to investigate and easily develop new control strategies for both milling and flotation. This includes a Solids Feed Controller, a Safety Limit Controller, Mill Power Optimiser and Flotation Optimiser, amongst others.Processes with long dead times, like a feed belt to a mill, are difficult to control. The solids feed controller was developed for minerals processing plants using a specialised time delay compensator. Using conventional time delay compensators that are purely model based, results in robustness problems due to model uncertainties. The Mintek Solid Feeds Controller makes use of a plant model, but compensates for model inaccuracies, giving more controller stability and a more robust delay compensation algorithm.Often there are more variables on a plant that need to be controlled (process variables) than there are variables to control them with (manipulated variables). Process constraints are often reached and violated. Safety control loops are necessary to prevent constraints being reached. The safety limit controller has been developed to switch smoothly between normal and safety control loops without bumping the process. The safety loop output is chosen in accordance with a predefined list of priorities and whether the respective constraint boundaries are exceeded.The Mill Power Optimiser helps to find the power peak on the mill power curve. It continuously perturb the solids feed rate to learn ‘where’ on the curve the mill ‘was’ and then to drive it continuously toward the middle, maximum power drawn. This insures maximum grind with maximum throughput. It also prevents power dips due to mill overloads by cutting the solids feed to a minimum if the power drop below a specified threshold. Once the power rises above the threshold the solids feed is increased again to an intermediate value from where it start the perturbations again to find the maximum. This makes the milling circuit easier to operate."

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 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