Second-order Percus-Yevick theory for the radial distribution functions of a mixture of hard spheres in the limit of zero concentration of the large spheres

被引:17
作者
Henderson, D [1 ]
Sokolowski, S
Wasan, D
机构
[1] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA
[2] Marie Curie Sklodowska Univ, Fac Chem, Dept Modelling Physicochem Proc, PL-20031 Lublin, Poland
[3] IIT, Dept Chem Engn, Chicago, IL 60616 USA
关键词
D O I
10.1080/00268979809482213
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
The radial distribution functions of a mixture of hard spheres are quite interesting when the ratio of diameters is large and the concentration of the large spheres is very small. In this regime, the radial distrbution functions change rapidly with concentration. The usual Percus-Yevick theory, which is adequate over most of the concentration range, fails at low concentrations of the large spheres. Values are reported of the radial distribution functions for zero concentration of the large spheres using the most accurate theory presently available, second-order Percus-Yevick theory. Agreement with recent formulae for the contact values of these functions is very good except for the contact value for a pair of large spheres, where the agreement is fairly good. It is possible that the radial distribution function for a pair of large spheres may be a little larger than the already large values given by this recent formula.
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页码:295 / 300
页数:6
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