Orientational and phase-coexistence behaviour of hard rod-sphere mixtures

ANTYPOV, D. and CLEAVER, D. J. (2003). Orientational and phase-coexistence behaviour of hard rod-sphere mixtures. Chemical physics letters, 377 (3-4), 311-316. [Article]

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Abstract

Results are presented from Monte Carlo simulations of bulk mixtures of Hard Gaussian Overlap particles with an aspect ratio of 3:1 and hard spheres with diameters equal to the breadths of the rods. For sphere number-concentrations of 50% and lower, compression of the isotropic fluid results in formation of a homogeneous (i.e. compositionally mixed) nematic phase. The volume fraction of this isotropic-nematic transition is found to increase approximately linearly with sphere concentration. On compression to higher volume fractions, however, this homogeneous nematic phase separates out into coexisting nematic and isotropic phases.

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