Calculation of surface entropy of liquid transition and noble metals

被引：13
|
作者：
Gosh, R. C. [1 ]
Amin, M. R. [2 ]
Ahmed, A. Z. Ziauddin [2 ]
Syed, Ishtiaque M. [1 ]
Bhuiyan, G. M. [2 ]
机构：
[1] Univ Dhaka, Dept Phys, Dhaka 1000, Bangladesh
[2] Univ Dhaka, Dept Theoret Phys, Dhaka 1000, Bangladesh
来源：
APPLIED SURFACE SCIENCE | 2012年 / 258卷 / 15期
关键词：
Transition metal; Noble metal; Hard-sphere diameter; Packing fraction; Surface entropy; TENSION; PSEUDOPOTENTIALS; TRANSPORT; EQUATION; DENSITY;
D O I：
10.1016/j.apsusc.2011.11.118
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 surface entropies of liquid transition and noble metals Fe, Co, Ni, Cu, and Ag have been investigated. Surface entropy expression involving hard-sphere (HS) interaction in closed form is used. Since the HS diameter depends on metallic properties and temperature, the temperature dependent effective HS diameter is determined from a well-known perturbation theory, linearized Weeks-Chandler-Andersen (LWCA) and integral equation theory, variational modified hypernetted chain (VMHNC). Theoretical calculations are compared with the available experimental data, and found good agreement for some concerned systems. (C) 2011 Elsevier B.V. All rights reserved.
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页码：5527 / 5532
页数：6
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