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Structure of molecular liquids : hard rod-disk mixtures
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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. ISSN 1539-3755
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Official URL: http://dx.doi.org/10.1103/PhysRevE.77.011202
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 |
| Date: | January 2008 |
| Volume: | Vol.77 |
| Number: | No.1 |
| Number of Pages: | 8 |
| Page Range: | 011202 |
| Identification Number: | 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) |
| URI: | http://wrap.warwick.ac.uk/id/eprint/30607 |
Data sourced from Thomson Reuters' Web of Knowledge
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