Fluids of hard ellipsoids : Phase diagram including a nematic instability from Percus-Yevick theory

An important aspect of molecular fluids is the relation between orientation and translation parts of the two-particle correlations. Especially, a detailed knowledge of the influence of orientation correlations is needed to explain and calculate in detail the occurrence of a nematic phase. The simple...

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Veröffentlicht in:Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics. - 1993. - 60(1999), 5 Pt B vom: 30. Nov., Seite 5865-71
1. Verfasser: Letz, M (VerfasserIn)
Weitere Verfasser: Latz, A
Format: Aufsatz
Sprache:English
Veröffentlicht: 1999
Zugriff auf das übergeordnete Werk:Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
Schlagworte:Journal Article
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520 |a An important aspect of molecular fluids is the relation between orientation and translation parts of the two-particle correlations. Especially, a detailed knowledge of the influence of orientation correlations is needed to explain and calculate in detail the occurrence of a nematic phase. The simplest model system that shows both orientation and translation correlations is a system of hard ellipsoids. We investigate an isotropic fluid formed of hard ellipsoids with the Percus-Yevick theory. Solving the Percus-Yevick equations self-consistently and accurately in the high density regime gives, contrary to previous works, a clear criterion for a nematic instability. We calculate in detail the equilibrium phase diagram for a fluid of hard ellipsoids of revolution. Our results compare well with Monte Carlo simulations and density-functional theory 
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