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 journal › Article › peer-review

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. © 2008 The American Physical Society.

Original language	English
Article number	011202
Journal	Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume	77
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevE.77.011202
Publication status	Published - 31 Jan 2008

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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. {\textcopyright} 2008 The American Physical Society.",

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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. © 2008 The American Physical Society.

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DO - 10.1103/PhysRevE.77.011202

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JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

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Structure of molecular liquids: Hard rod-disk mixtures

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