A self-consistent integral equation: Bridge function and thermodynamic properties for the Lennard-Jones fluid

被引:15
|
作者
Bomont, JM [1 ]
Bretonnet, JL [1 ]
机构
[1] Univ Metz, Lab Theorie Mat Condensee, F-57078 Metz 3, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2003年 / 119卷 / 04期
关键词
D O I
10.1063/1.1583675
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 new approximate bridge function is proposed as an expansion in powers of the thermal potential, which ensures the thermodynamic consistency with the classical pressure-compressibility condition. The bridge function compares very well the simulation data at large separation as well as in the most important region of the core. The thermodynamic properties of the supercritical Lennard-Jones fluid calculated by means of standard formulas of statistical mechanics involving correlation functions and bridge function are in excellent agreement with those obtained from computer simulation. (C) 2003 American Institute of Physics.
引用
收藏
页码:2188 / 2191
页数:4
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