An analytical equation of state for chain molecules formed from Yukawa segments

被引：71

作者：

Davies, LA ^{[1
]}

Gil-Villegas, A

Jackson, G

机构：

[1] Univ Penn, Ctr Mol Modeling, Dept Chem, Philadelphia, PA 19104 USA

[2] Univ Guanajuato, Inst Fis, Leon 37150, Mexico

[3] Univ London Imperial Coll Sci Technol & Med, Dept Chem Engn & Chem Technol, London SW7 2BY, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 18期

关键词：

D O I：

10.1063/1.480205

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：

We present an analysis of the thermodynamic properties of chain molecules formed from Yukawa segments using the statistical associating fluid theory with interactions of variable range (SAFT-VR) and the high-temperature expansion of the mean-spherical solution (MSA-HTE) to the Ornstein-Zernike equation for a simple Yukawa fluid. The SAFT-VR expressions derived previously for this system allow the MSA-HTE equation of state to be reformulated in terms of first-order perturbation quantities, thus improving its accuracy. Furthermore, the MSA-HTE solution provides a full theoretical derivation of the perturbation theory used in SAFT-VR, together with a completely analytical equation of state for chain molecules composed of segments which interact via the Yukawa potential. (C) 1999 American Institute of Physics. [S0021-9606(99)50242-0].

引用

页码：8659 / 8665

页数：7

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