Monte Carlo data of dilute solutions of large spheres in binary hard sphere mixtures |
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| Authors: | DAPENG CAO KWONG-YU CHAN DOUGLAS HENDERSON WENCHUAN WANG |
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| Institution: | 1. Department of Chemistry , The University of Hong Kong , Pokfulam Road, Hong Kong SAR;2. Department of Chemistry and Biochemistry , Brigham Young University , Provo , Utah , 84602-5700 , USA;3. College of Chemical Engineering, Beijing University of Chemical Technology , Beijing , 100029 , PR , China |
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| Abstract: | Monte Carlo (MC) simulation data for additive binary hard sphere mixtures are reported for dilute concentrations of the large sphere. Using a single occupancy linked cell method, binary hard sphere solutions with a size ratio of 5 are simulated at high reduced density and low concentration of the large sphere. Data for the solute-solvent pair distribution function show that at the lowest concentrations of the large sphere simulated, the Boublik-Mansoori-Carnahan-Starling-Leland (BMCSL) equation underestimates the contact value; whereas the recently proposed Henderson-Chan (HC) equation gives a good prediction. For the solute-solute contact value at the colloidal limit, the MC data lie between the two predictions. The BMCSL equation underestimates, while the HC equation overestimates, the correct solute-solute contact value. |
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