Calculation of surface entropy of liquid transition and noble metals

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• 作者：R.C. Gosh^a ; ^{ratan@univdhaka.edu} ; M.R. Amin^b ; A.Z. Ziauddin Ahmed^b ; Ishtiaque M. Syed^a ; G.M. Bhuiyan^b
• 关键词：Transition metal ; Noble metal ; Hard&ndash ; sphere diameter ; Packing fraction ; Surface entropy
• 刊名：Applied Surface Science
• 出版年：2012
• 期刊代码：6_01694332
• 类别：ms
• 出版时间：15 May, 2012
• 卷：258
• 期：15
• 页码：5527-5532
• 文件大小：316 K

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.