Improved first order mean spherical approximation for simple fluids

A perturbation approach based on the first-order mean spherical approximation (FMSA) is proposed. It consists in adopting a hard-sphere plus short-range attractive Yukawa fluid as the novel reference system, over which the perturbative solution of the Ornstein-Zernike equation is performed. A choice...

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Bibliographic Details
Published inCondensed matter physics Vol. 14; no. 3; p. 33004
Main Authors Hlushak, Trokhymchuk, Nezbeda
Format Journal Article
LanguageEnglish
Published Institute for Condensed Matter Physics 01.01.2011
Subjects
hard-core Yukawa fluid
mean spherical approximation
Monte Carlo simulations
perturbation theory
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Summary:A perturbation approach based on the first-order mean spherical approximation (FMSA) is proposed. It consists in adopting a hard-sphere plus short-range attractive Yukawa fluid as the novel reference system, over which the perturbative solution of the Ornstein-Zernike equation is performed. A choice of the optimal range of the reference attraction is discussed. The results are compared against conventional FMSA/HS theory and Monte-Carlo simulation data for compressibility factor and vapor-liquid phase diagrams of the medium-ranged Yukawa fluid. Proposed theory keeps the same level of simplicity and transparency, as the conventional FMSA/HS approach does, but shows to be more accurate.
ISSN:1607-324X
DOI:10.5488/CMP.14.33004