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Monte Carlo simulations of orientational ordering of solutes in a nematic solvent: Comparison with mean-field models

TitleMonte Carlo simulations of orientational ordering of solutes in a nematic solvent: Comparison with mean-field models
Publication TypeJournal Article
Year of Publication1996
AuthorsPolson, JM, Burnell, EE
JournalMolecular Physics
Volume88
Pagination767-782
Date PublishedJun
Type of ArticleArticle
ISBN Number0026-8976
KeywordsANISOTROPIC SYSTEMS, COMPUTER-SIMULATION, ELECTRIC-DIPOLE INTERACTIONS, LIQUID-CRYSTALS, MOLECULES, NEMATOGEN, PHASE, POTENTIALS, SIZE
Abstract

Monte Carlo simulations were used to study orientational ordering of solutes in a nematic phase. Nematogens were modelled as hard prolate ellipsoids with an axis ratio of 5:1. Solutes were also modelled as hard prolate ellipsoids, with a variety of sizes and shape anisotropies. Solute order parameters and singlet orientational distribution functions were analysed using several mean-field models. The results confirm that these empirical mean-field potentials are closely linked to the anisotropic short-range repulsive forces that are crucial for the formation of the nematic phase.

URL<Go to ISI>://A1996UT95100015