Hard-sphere radial distribution function again.

Andrij Trokhymchuk; Ivo Nezbeda; Jan Jirsák; Douglas Henderson

doi:10.1063/1.1979488

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PubMed · 16050753

Hard-sphere radial distribution function again.

Andrij Trokhymchuk·Ivo Nezbeda·Jan Jirsák·Douglas Henderson

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Abstract

A theoretically based closed-form analytical equation for the radial distribution function, g(r), of a fluid of hard spheres is presented and used to obtain an accurate analytic representation. The method makes use of an analytic expression for the short- and long-range behaviors of g(r), both obtained from the Percus-Yevick equation, in combination with the thermodynamic consistency constraint. Physical arguments then leave only three parameters in the equation of g(r) that are to be solved numerically, whereas all remaining ones are taken from the analytical solution of the Percus-Yevick equation.

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Algorithms Chemistry, Physical Hardness Microfluidics Models, Statistical Models, Theoretical Phase Transition Surface Properties Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.

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Andrij Trokhymchuk, Ivo Nezbeda, Jan Jirsák, Douglas Henderson. 2005-07-08. Hard-sphere radial distribution function again.. https://doi.org/10.1063/1.1979488

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