Structure of molecular liquids: closure relations for hard spheroids

David Cheung, L Anton, A.J. Masters

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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 γ(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.
Original languageEnglish
Article number041201
Number of pages8
JournalPhysical Review E: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume76
Issue number4
Publication statusPublished - 2007

Keywords

  • structure
  • molecular liquids
  • closure relations
  • hard spheroids

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