Hard-sphere radial distribution function again -: art. no. 024501

被引:78
作者
Trokhymchuk, A [1 ]
Nezbeda, I
Jirsák, J
Henderson, D
机构
[1] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA
[2] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine
[3] Acad Sci Czech Republ, Inst Chem Proc Fundamentals, E Hala Lab Thermodynam, CZ-16502 Prague, Suchdol, Czech Republic
[4] JE Purkyne Univ, Dept Phys, Usti Nad Labem 40096, Czech Republic
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.1979488
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
A theoretically based closed-form analytical equation for the radial distribution function, g(r), of a fluid of hard spheres is presented and used to obtain an accurate analytic representation. The method makes use of an analytic expression for the short- and long-range behaviors of g(r), both obtained from the Percus-Yevick equation, in combination with the thermodynamic consistency constraint. Physical arguments then leave only three parameters in the equation of g(r) that are to be solved numerically, whereas all remaining ones are taken from the analytical solution of the Percus-Yevick equation. (c) 2005 American Institute of Physics.
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页数:10
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