Simplified exponential approximation for thermodynamics of a hard-core repulsive Yukawa fluid

Exponential approximation based on the first order mean spherical approximation (FMSA) is applied to the study of the structure and thermodynamics of hard-core repulsive Yukawa fluids. The proposed theory utilizes an exponential enhancement of the analytical solution of the FMSA due to Tang and Lu [...

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Bibliographic Details
Published inCondensed matter physics Vol. 15; no. 2; p. 23003
Main Authors Hlushak, Trokhymchuk
Format Journal Article
LanguageEnglish
Published Institute for Condensed Matter Physics 01.06.2012
Subjects
exponential approximation
first order mean spherical approximation
Monte Carlo simulations
repulsive Yukawa fluid
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Summary:Exponential approximation based on the first order mean spherical approximation (FMSA) is applied to the study of the structure and thermodynamics of hard-core repulsive Yukawa fluids. The proposed theory utilizes an exponential enhancement of the analytical solution of the FMSA due to Tang and Lu [J. Chem. Phys., 1993, Vol. 99, 9828] for the radial distribution function. From comparison with computer simulation data we have shown that at low density and low temperature conditions, where original FMSA theory fails, the FMSA-based exponential theory predicts a significant improvement.
ISSN:1607-324X
DOI:10.5488/CMP.15.23003