Cheung, David L., Anton, Lucian, Allen, M. P. and Masters, Andrew J. (2008) Structure of molecular liquids : hard rod-disk mixtures. Physical Review E, Vol.77 (No.1). 011202. doi:10.1103/PhysRevE.77.011202

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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.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Chemistry Faculty of Science > Physics Faculty of Science > Centre for Scientific Computing
Library of Congress Subject Headings (LCSH):	Fluids, Monte Carlo method, Integral equations, Thermodynamics, Phase rule and equilibrium
Journal or Publication Title:	Physical Review E
Publisher:	American Physical Society
ISSN:	1539-3755
Official Date:	January 2008
Dates:	Date Event January 2008 Published
Volume:	Vol.77
Number:	No.1
Number of Pages:	8
Page Range:	011202
DOI:	10.1103/PhysRevE.77.011202
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Funder:	Engineering and Physical Sciences Research Council (EPSRC)
Grant number:	S77240 (EPSRC), GR/S77103 (EPSRC)

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