Pair-distribution function of a non-polar molecular fluid based on the site-site interaction model

M.-E. Boudh-Hir

Physica A: Statistical Mechanics and its Applications, 1992, vol. 182, issue 1, 33-46

Abstract: The purpose of this paper is the study of the complete (i.e. orientation dependent) pair-distribution function of a diatomic molecular fluid. Using the site-site interaction model for the pair potential between molecules and the diagrammatic expansion theory, the molecular pair-distribution function (PDF) is expanded in terms of the correlation functions of a simple fluid that we refer to as reference system. Both the molecular fluid and the reference system have the same density. As a consequence the calculations will depend on the packing fraction, η, having small values, which makes the PDF converge faster. The use of a simple fluid as a reference system has an other advantage, that is the correlation functions of the simple fluid are well known.

Date: 1992
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:182:y:1992:i:1:p:33-46

DOI: 10.1016/0378-4371(92)90228-I

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