4.0 Article

Improved first order mean-spherical approximation for simple fluids

Journal

CONDENSED MATTER PHYSICS
Volume 14, Issue 3, Pages -

Publisher

INST CONDENSED MATTER PHYSICS NATL ACAD SCIENCES UKRAINE
DOI: 10.5488/CMP.14.33004

Keywords

hard-core Yukawa fluid; mean-spherical approximation; perturbation theory; Monte Carlo simulations

Funding

  1. Grant Agency of the Academy of Sciences of the Czech Republic [IAA400720710]
  2. Czech-Ukrainian Bilateral Cooperative Program

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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. The proposed theory keeps the same level of simplicity and transparency as the conventional FMSA/HS approach does, but turns out to be more accurate.

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