On the role of the reference system in perturbation theory: An augmented van der Waals theory of simple fluids

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• 作者：Roman Melnyk ; Ivo Nezbeda ; Douglas Henderson ; Andrij Trokhymchuk
• 关键词：Perturbation theory ; Reference system ; Simple fluids ; Thermodynamics ; Liquid– ; vapor coexistence
• 刊名：Fluid Phase Equilibria
• 出版年：2009
• 出版时间：15 May 2009
• 年：2009
• 卷：279
• 期：1
• 页码：1-10
• 全文大小：1478 K

文摘

In this study, we show that the inclusion of a short-range part of the total attractive interaction into a reference system allows a natural extension of the traditional first-order perturbation theory of simple fluids to practically all thermodynamic states. This theory is applied to the thermodynamic functions and the liquid–vapor coexistence curve of the Lennard-Jones-like medium range Yukawa fluid and to the Sutherland fluid. Comparison with computer simulation data and the second-order Barker–Henderson perturbation theory is discussed.