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Model for Hard Molecular Fluids - Ellipsoidal Fluids

By M. Calleja and Gerald Rickayzen


The structure of a fluid of hard axially symmetric ellipsoids, restricted in orientation, is studied on the basis of a new approximation for the direct correlation function. For ellipsoids with semiaxes of lengths a,a,b, with 0.5<b/a<2.5, the resulting equation of state agrees very well with the results of simulations of the restricted fluid as well as those of a fluid of freely rotating ellipsoids

Topics: QC
Publisher: APS physics
Year: 1995
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