Square-well fluid based decoupling approximation for system of hard non-spherical particles with spherical square-wells

S. Varga, Dave C. Williamson, I. Szalai

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

A new theory based on the virial equation has been developed to study a system of hard non-spherical particles embedded into square-wells. The theory relies on a mapping of the pair correlation function of the system of interest onto that of spherical square-wells. This is a generalization of the Parsons-Lee theory of pure hard convex bodies. Comparisons show that this theory is superior to previous theories and incorporates them into a common framework. Competition between the excluded volume effect of repulsive forces and the condensation effect of attractive forces has been demonstrated. We have found three types of phase diagrams, among which one exhibits a nematic-nematic phase transition.

Original languageEnglish
Pages (from-to)1695-1703
Number of pages9
JournalMolecular Physics
Volume96
Issue number11
Publication statusPublished - 1999

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square wells
Phase Transition
decoupling
Phase diagrams
Condensation
Phase transitions
Fluids
fluids
approximation
condensation
phase diagrams

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Square-well fluid based decoupling approximation for system of hard non-spherical particles with spherical square-wells. / Varga, S.; Williamson, Dave C.; Szalai, I.

In: Molecular Physics, Vol. 96, No. 11, 1999, p. 1695-1703.

Research output: Contribution to journalArticle

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