Structure of molecular liquids : hard rod-disk mixtures

Cheung, David and Anton, Lucian and Allen, Michael P. and Masters, Andrew J. (2008) Structure of molecular liquids : hard rod-disk mixtures. Physical Review E: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 77 (1). 011202. ISSN 1063-651X

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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.