Calculation of Kirkwood-Buff integrals for one-component fluids using the Barker-Henderson perturbation theory

被引：0

作者：

Khanpour, Mehrdad ^{[1
]}

机构：

[1] Islamic Azad Univ, Dept Chem, Amol Branch, Amol, Iran

来源：

CHEMICAL PHYSICS LETTERS | 2011年 / 504卷 / 4-6期

关键词：

STATE;

D O I：

10.1016/j.cplett.2011.01.079

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：

It will be shown that the unification of the thermodynamics from the compressibility equation with that of the Barker-Henderson perturbation theory enables us to find an explicit formula to accurately calculate the Kirkwood-Buff integrals for one-component fluids. The results of calculations show good agreement with those of the Percus-Yevick equation. (C) 2011 Elsevier B. V. All rights reserved.

引用

页码：159 / 161

页数：3

共 6 条

[1] The Kirkwood-Buff integrals for one-component liquids
Ben-Naim, Arieh
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (23):
[2] BASIC CORRELATIONS AND CALCULATION PRECISION OF KIRKWOOD-BUFF INTEGRALS IN THE THEORY OF SOLUTIONS
ZAITSEV, AL
KESSLER, YM
PETRENKO, VE
ZHURNAL FIZICHESKOI KHIMII, 1985, 59 (11): : 2728 - 2732
[3] VAPOR-LIQUID-EQUILIBRIA OF SQUARE-WELL FLUIDS OF VARIABLE WIDTH BY BARKER-HENDERSON PERTURBATION THEORY-I
SZALAI, I
LISZI, J
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1993, 97 (08): : 1054 - 1058
[4] Pair correlation function from the Barker-Henderson perturbation theory of fluids: the structure of square-well and square-shoulder potentials
Khanpour, Mehrdad
Hashim, Rauzah
PHYSICS AND CHEMISTRY OF LIQUIDS, 2013, 51 (02) : 203 - 217
[5] SOLUBILITY MODELING OF SOLIDS IN SUPERCRITICAL FLUIDS USING THE KIRKWOOD-BUFF FLUCTUATION INTEGRAL WITH THE HARD-SPHERE EXPANSION (HSE) THEORY
KWON, YJ
MANSOORI, GA
JOURNAL OF SUPERCRITICAL FLUIDS, 1993, 6 (03): : 173 - 180
[6] Simple analytic equations of state for hard-core single and double Yukawa fluids and mixtures based on second-order Barker-Henderson perturbation theory
Sun, JX
PHYSICAL REVIEW E, 2003, 68 (06):

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