Direct correlation function of square well fluid with wide well: First order mean spherical approximation

An analytical expression for square-well fluid direct correlation function (DCF) obtained recently by Tang (Y.Tang, J. Chem. Phys. 127, 164504 (2007)) in the first-order mean spherical approximation is extended for wider well widths (2<lambda<3). Theoretically obtained direct correlation funct...

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Bibliographic Details
Published inarXiv.org
Main Authors Hlushak, S P, Trokhymchuk, A, Sokolowski, S
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 26.01.2009
Subjects
Approximation
Computer simulation
Distribution functions
Mathematical analysis
Monte Carlo simulation
Radial distribution
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Summary:An analytical expression for square-well fluid direct correlation function (DCF) obtained recently by Tang (Y.Tang, J. Chem. Phys. 127, 164504 (2007)) in the first-order mean spherical approximation is extended for wider well widths (2<lambda<3). Theoretically obtained direct correlation functions and radial distribution functions for square-well fluid with lambda=2.1 and lambda=2.5 are compared with corresponding results of Monte-Carlo simulation.
ISSN:2331-8422