The GMSA for a hard-sphere fluid revisited: evaluation of the Henderson-Blum approximation[*

被引：0

作者：

Lozada-Hidalgo, Alejandra ^{[1
]}

Lopez de Haro, Mariano ^{[1
]}

Henderson, Douglas ^{[2
]}

机构：

[1] Univ Nacl Autonoma Mexico, Inst Energias Renovables, Temixco 62580, Morelos, Mexico

[2] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA

来源：

MOLECULAR PHYSICS | 2019年 / 117卷 / 14期

关键词：

Hard-sphere fluid; direct correlation function; generalised mean spherical approximation; EQUATION-OF-STATE;

D O I：

10.1080/00268976.2018.1544382

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 Generalized Mean Spherical Approximation for a hard-sphere fluid developed by Waisman [E. Waisman, Mol. Phys. 25, 45 (1973)] over forty years ago is revisited. The relatively recent [C. F. Tejero and M. Lopez de Haro, Mol. Phys. 105, 2999 (2007)] completely analytical results for the direct correlation function of such approximation are used to assess the simplification introduced by Henderson and Blum [D. Henderson and L. Blum, Mol. Phys. 32, 1627 (1976)]. The conclusion is reached that such simplification is a rather valuable compromise between simplicity and accuracy. [GRAPHICS] .

引用

页码：1796 / 1804

页数：9

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