A perturbed Yukawa chain equation of state for liquid metals

被引：4
|
作者：
Mousazadeh, M. H. [1 ]
Diarmand, H. [1 ]
Hakimelahi, R. [2 ]
机构：
[1] NSTRI, Nucl Sci Res Sch, Dept Chem, Tehran 113653486, Iran
[2] Jahrom Azad Univ, Dept Chem, Jahrom, Iran
来源：
JOURNAL OF MOLECULAR LIQUIDS | 2012年 / 170卷
关键词：
Equation of state; Liquid metals; Yukawa potential; HARD-SPHERE CHAINS; FLUID; PURE;
D O I：
10.1016/j.molliq.2012.03.013
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 perturbed Yukawa chain equation of state is formulated based on Barker and Henderson's liquid state perturbation theory. The model uses two parameters for a monatomic system, segment size, sigma, and segment energy, epsilon/k. Analytical expressions for Helmholtz energy and compressibility factor of perturbed Yukawa chain equation of state were derived using a hard sphere chain reference. The Yukawa potential where lambda=1.8 is exploited for its ability to mimic the Lennard Jones potential. In this work, we employed this model to calculate the liquid density of 27 metals. The average absolute deviation in the liquid compared with experimental data is 2.84. (C) 2012 Elsevier B.V. All rights reserved.
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页码：41 / 44
页数：4
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