Condensed Matter Physics, 2011, vol. 14, No. 3, 33004: 1-8
DOI:10.5488/CMP.14.33004
arXiv:1202.4260
Title:
Improved first order mean spherical approximation for simple fluids
Author(s):
 
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S. Hlushak
(Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, Lviv, Ukraine)
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A. Trokhymchuk
(Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, Lviv, Ukraine;
Department of Chemistry and Biochemistry, Brigham Young
University, Provo, USA)
,
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I. Nezbeda
(Faculty of Science, J.E. Purkinje University, 400 96 Usti n. Lab.,Czech Republic)
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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.
Key words:
hard-core Yukawa fluid, mean spherical approximation, perturbation theory, Monte Carlo simulations
PACS:
01.65.Q
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