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Structure of molecular liquids: Closure relations for hard spheroids

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Cheung, David L., Anton, Lucian, Allen, M. P. and Masters, Andrew J. (2007) Structure of molecular liquids: Closure relations for hard spheroids. Physical Review E, Vol.76 (No.4 Part 1). doi:10.1103/PhysRevE.76.041201

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Official URL: http://dx.doi.org/10.1103/PhysRevE.76.041201

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Abstract

We present the results of Monte Carlo simulations of hard spheroids of revolution of different elongations. Both prolate and oblate shapes are examined. A systematic study of the bridge function b(1,2), and direct comparison with the indirect correlation function gamma(1,2)=h(1,2)-c(1,2) at densities spanning the isotropic fluid range, allow us to evaluate the accuracy of various proposed closure relations for integral equations.

Item Type: Journal Article
Subjects: Q Science > QC Physics
Divisions: Faculty of Science > Physics
Journal or Publication Title: Physical Review E
Publisher: American Physical Society
ISSN: 1539-3755
Official Date: 8 October 2007
Dates:
DateEvent
8 October 2007Published
Volume: Vol.76
Number: No.4 Part 1
Number of Pages: 8
DOI: 10.1103/PhysRevE.76.041201
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access

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