A new analytical approximation for the second term in the thermodynamic perturbation theory of simple hard-core fluids

被引:0
作者
Khanpour, Mehrdad [1 ]
机构
[1] Islamic Azad Univ, Dept Chem, Ayatollah Amoli Branch, Amol, Iran
关键词
New analytical second order term; Thermodynamic perturbation theory; Mean spherical approximation;
D O I
10.1016/j.molliq.2013.11.025
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
An analytical expression for the second term in the thermodynamic perturbation theory of liquids is proposed. The expression is derived by invoking the mean spherical approximation for the direct correlation function of the whole system. We have made then another simplifying approximation to reach an entirely analytical expression for the second term in the thermodynamic perturbation theory. The new resulted second order term in the perturbation theory, although simple and analytical, is shown to be as nearly accurate as the Barker-Henderson second order term for the case of moderate- to long-ranged hard-core Yukawa potentials and the Sutherland potential. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码:42 / 47
页数:6
相关论文
共 19 条
[1]   RELATIONSHIP BETWEEN HARD-SPHERE FLUID AND FLUIDS WITH REALISTIC REPULSIVE FORCES [J].
ANDERSEN, HC ;
WEEKS, JD ;
CHANDLER, D .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1971, 4 (04) :1597-+
[2]  
Attard P., 2010, J MOL LIQ
[3]   WHAT IS LIQUID - UNDERSTANDING STATES OF MATTER [J].
BARKER, JA ;
HENDERSON, D .
REVIEWS OF MODERN PHYSICS, 1976, 48 (04) :587-671
[4]   EQUATION OF STATE FOR NONATTRACTING RIGID SPHERES [J].
CARNAHAN, NF ;
STARLING, KE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) :635-&
[5]   Thermodynamic properties of van der Waals fluids from Monte Carlo simulations and perturbative Monte Carlo theory [J].
Diez, A. ;
Largo, J. ;
Solana, J. R. .
JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (07)
[6]  
Hansen J.-P., 2006, Theory of Simple Liquids, Vthird
[7]   Mean spherical approximation for the Yukawa fluid radial distribution function [J].
Henderson, Douglas ;
Boda, Dezso .
MOLECULAR PHYSICS, 2011, 109 (7-10) :1009-1013
[8]  
Kalikmanov V., 2001, TEXT MONOGR
[9]   Perturbation theory of liquids for short-ranged hard-core potentials: Structure and thermodynamics of short-ranged square-well fluids [J].
Khanpour, Mehrdad .
PHYSICAL REVIEW E, 2011, 83 (02)
[10]  
Munster A., 1974, Statistical Thermodynamics, V2