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

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  • Boudh-Hir, M.-E.

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.

Suggested Citation

  • Boudh-Hir, M.-E., 1992. "Pair-distribution function of a non-polar molecular fluid based on the site-site interaction model," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 182(1), pages 33-46.
    • Handle: RePEc:eee:phsmap:v:182:y:1992:i:1:p:33-46
    DOI: 10.1016/0378-4371(92)90228-I
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    1. Leonall C. Andersen, 1972. "A look at ten months of price-wage control," Review, Federal Reserve Bank of St. Louis, vol. 54(Jun), pages 13-16.
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