Inter-ionic potential function in liquid alkali metals by thermodynamic regularity approach

被引：7
|
作者：
Ghatee, M. H. [1 ]
Bahadori, M. [1 ]
机构：
[1] Shiraz Univ, Dept Chem, Shiraz 71454, Iran
来源：
CHEMICAL PHYSICS | 2007年 / 335卷 / 2-3期
关键词：
equation of states; liquid alkali metals; modified inter-ionic potential; pseudopotential; thermodynamic regularity;
D O I：
10.1016/j.chemphys.2007.04.016
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：
By solving the thermodynamic equation of pressure and using the pseudopotential approach, the effective inter-ionic potential function for alkali metals near their melting points is obtained. To obtain an exact equilibrium interatomic distance, a modified form of the inter-ionic potential function involved in the pseudopotential formulation is presented. The modified potential function is applied to derive the thermodynamic equation of pressure, and then the inter-ionic potential parameters are obtained by fitting the experimental PVT data. Obtained from macroscopic properties, the form of the characterized potential function is in good agreement with the potential from structure factor. (C) 2007 Elsevier B.V. All rights reserved.
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页码：215 / 220
页数：6
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