A model of molecular fluids: A three-parameter direct correlation function

Rickayzen, Gerald and Calleja, M. (1997) A model of molecular fluids: A three-parameter direct correlation function. Molecular Physics, 90 (5). pp. 869-873. ISSN 0026-8976. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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A previous two-parameter model of a molecular fluid is extended to three parameters and applied to a fluid of hard ellipsoids with restricted orientations. The direct correlation function of the fluid is written as a linear combination of three basic functions derived from the geometry of two molecules and the coefficients determined from algebraic equations also satisfied by the Percus-Yevick (PY) solution of the problem. The theory yields the PY solution and PY equation of state in the special case of hard spheres. For ellipsoids the equation of state agrees better with the results of computer simulation than the two-parameter version although the discrepancy increases with increasing anisotropy of the molecules. According to the model the fluid makes a transition to a nematic state although the predicted densities at which the transition takes place are too low.

Item Type: Article
Subjects: Q Science > QC Physics
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences > Centre for Astrophysics and Planetary Sciences
Depositing User: T.J. Sango
Date Deposited: 18 May 2009 11:54
Last Modified: 04 Jun 2014 12:36
Resource URI: https://kar.kent.ac.uk/id/eprint/17908 (The current URI for this page, for reference purposes)
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