Improved first order mean spherical approximation for simple fluids

Autor: I. Nezbeda, A. Trokhymchuk, S. Hlushak
Jazyk: angličtina
Rok vydání: 2011
Předmět:
Zdroj: Condensed Matter Physics, Vol 14, Iss 3, p 33004 (2011)
Druh dokumentu: article
ISSN: 1607-324X
DOI: 10.5488/CMP.14.33004
Popis: 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.
Databáze: Directory of Open Access Journals