Algebraic perturbation theory for dense liquids with discrete potentials

A simple theory for the leading-order correction g{1}(r) to the structure of a hard-sphere liquid with discrete (e.g., square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively eliminates four-particle correlations from g{1}(r) with good accur...

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Bibliographic Details
Published in:Physical review. E, Statistical, nonlinear, and soft matter physics Statistical, nonlinear, and soft matter physics, 2007-06, Vol.75 (6 Pt 1), p.061204, Article 061204
Main Author: Adib, Artur B
Format: Article
Language:English
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Summary:A simple theory for the leading-order correction g{1}(r) to the structure of a hard-sphere liquid with discrete (e.g., square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively eliminates four-particle correlations from g{1}(r) with good accuracy at high densities. For the particular case of discrete perturbations, the remaining three-particle correlations can be modeled with a simple volume-exclusion argument, resulting in an algebraic and surprisingly accurate expression for g{1}(r). The structure of a discrete "core-softened" model for liquids with anomalous thermodynamic properties is reproduced as an application.
ISSN:1539-3755
1550-2376
DOI:10.1103/PhysRevE.75.061204