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):
  S. Hlushak (Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, Lviv, Ukraine) ,
  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) ,
  I. Nezbeda (Faculty of Science, J.E. Purkinje University, 400 96 Usti n. Lab.,Czech Republic)

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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