Comparison of perturbation theory and mean spherical approximation based on molecular simulation data

被引：0

作者：

Liu, WB ^{[1
]}

Li, YG ^{[1
]}

Lu, JF ^{[1
]}

机构：

[1] Tsing Hua Univ, Dept Chem Engn, Beijing 100084, Peoples R China

来源：

CHINESE JOURNAL OF CHEMICAL ENGINEERING | 1999年 / 7卷 / 01期

关键词：

perturbation theory; mean spherical approximation; molecular simulation; internal energies;

D O I：

暂无

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

A comprehensive study on various internal energies for the dipolar hard sphere fluids, including Stockmayer fluids, the mixtures of Lennard-Jones and Stockmayer and Stockmayer fluids and the electrolyte solutions is reported based on the perturbation theory and mean spherical approximation. Compared with the results of molecular simulations, it is shown that the perturbation theory is better than the mean spherical approximation.

引用

页码：10 / 19

页数：10

共 33 条

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