Demixing in hard ellipsoid rod-plate mixtures

被引:64
作者
Camp, PJ [1 ]
Allen, MP [1 ]
Bolhuis, PG [1 ]
Frenkel, D [1 ]
机构
[1] FOM,INST ATOM & MOL PHYS,NL-1089 SJ AMSTERDAM,NETHERLANDS
关键词
D O I
10.1063/1.474012
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
The phase behavior of fluid mixtures of hard uniaxial ellipsoids with elongations e and 1/e, and equal molecular volume, has been studied using constant-pressure Gibbs ensemble Monte Carlo simulations for e = 15 and e = 20. Four distinct phases are observed: isotropic (I), uniaxial nematic (N+ and N-) and biaxial nematic (B). The region of stability of the biaxial phase is found to be limited severely by demixing into two coexisting uniaxial phases. This is in agreement with recent theoretical predictions. The theory, however, does not account for the surprising asymmetry of the phase diagram that we find in our simulations. (C) 1997 American Institute of Physics.
引用
收藏
页码:9270 / 9275
页数:6
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