Structure of molecular liquids: Hard rod-disk mixtures

David L. Cheung; Lucian Anton; Michael P. Allen; Andrew J. Masters

doi:10.1103/PhysRevE.77.011202

Structure of molecular liquids: Hard rod-disk mixtures

David L. Cheung
, Lucian Anton
, Michael P. Allen
, Andrew J. Masters

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

5 Citations (Scopus)

Abstract

The structure of hard rod-disk mixtures is studied using Monte Carlo simulations and integral equation theory, for a range of densities in the isotropic phase. By extension of methods used in single component fluids, the pair correlation functions of the molecules are calculated and comparisons between simulation and integral equation theory, using a number of different closure relations, are made. Comparison is also made for thermodynamic data and phase behavior.

Original language	English
Article number	011202
Journal	Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume	77
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevE.77.011202
Publication status	Published - 31 Jan 2008
Externally published	Yes

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10.1103/PhysRevE.77.011202

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title = "Structure of molecular liquids: Hard rod-disk mixtures",

abstract = "The structure of hard rod-disk mixtures is studied using Monte Carlo simulations and integral equation theory, for a range of densities in the isotropic phase. By extension of methods used in single component fluids, the pair correlation functions of the molecules are calculated and comparisons between simulation and integral equation theory, using a number of different closure relations, are made. Comparison is also made for thermodynamic data and phase behavior.",

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N2 - The structure of hard rod-disk mixtures is studied using Monte Carlo simulations and integral equation theory, for a range of densities in the isotropic phase. By extension of methods used in single component fluids, the pair correlation functions of the molecules are calculated and comparisons between simulation and integral equation theory, using a number of different closure relations, are made. Comparison is also made for thermodynamic data and phase behavior.

AB - The structure of hard rod-disk mixtures is studied using Monte Carlo simulations and integral equation theory, for a range of densities in the isotropic phase. By extension of methods used in single component fluids, the pair correlation functions of the molecules are calculated and comparisons between simulation and integral equation theory, using a number of different closure relations, are made. Comparison is also made for thermodynamic data and phase behavior.

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DO - 10.1103/PhysRevE.77.011202

M3 - Article

SN - 1539-3755

VL - 77

JO - Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

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IS - 1

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Structure of molecular liquids: Hard rod-disk mixtures

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