Structure of molecular liquids: closure relations for hard spheroids

David Cheung, L Anton, A.J. Masters

Research output: Contribution to journalArticle

10 Citations (Scopus)

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

Fingerprint

spheroids
Elongation
closures
elongation
integral equations
Correlation Function
Integral Equations
Closure
Monte Carlo Simulation
Liquid
Fluid
Evaluate
fluids
liquids
Range of data
simulation

Keywords

  • structure
  • molecular liquids
  • closure relations
  • hard spheroids

Cite this

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Structure of molecular liquids : closure relations for hard spheroids. / Cheung, David; Anton, L; Masters, A.J.

In: Physical Review E: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics , Vol. 76, No. 4, 041201, 2007.

Research output: Contribution to journalArticle

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