Monte Carlo data of dilute solutions of large spheres in binary hard sphere mixtures

被引:36
作者
Cao, DP
Chan, KY
Henderson, D
Wang, WC
机构
[1] Univ Hong Kong, Dept Chem, Hong Kong, Hong Kong, Peoples R China
[2] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA
[3] Beijing Univ Chem Technol, Coll Chem Engn, Beijing 100029, Peoples R China
关键词
D O I
10.1080/00268970009483328
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:619 / 624
页数:6
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