PERTURBATION-THEORY OF THE QUADRUPOLAR KIHARA FLUID

被引：5

作者：

BOUBLIK, T

机构：

[1] Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, Prague 6 Suchdol

来源：

MOLECULAR PHYSICS | 1992年 / 77卷 / 05期

关键词：

D O I：

10.1080/00268979200102921

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：

Perturbation theory of polar nonspherical molecule fluids is applied to systems of Kihara rod-like molecules and to those of soft spherocylinders with embedded quadrupole moment. Values of thermodynamic functions of these two kinds of systems with two different elongations l* = 0.3 and 0.8118 at different temperatures and with the reduced quadrupole moment Q*2 = 0.5, 1, 2 and 3 were compared with the recent simulation data. Fair agreement is found in all the cases.

引用

页码：983 / 991

页数：9

共 20 条

[1] GAUSSIAN MODEL POTENTIALS FOR MOLECULAR-INTERACTIONS [J].