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

被引:0
|
作者
Polson, JM [1 ]
Burnell, EE [1 ]
机构
[1] UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER, BC V6T 1Z1, CANADA
关键词
D O I
10.1080/00268979650026280
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
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页码:767 / 782
页数:16
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