Abstract
Since the work of Onsager, anisotropic shape is known to be the major driving force for the formation of liquid-crystalline systems, particularly lyotropic liquid crystals. In this communication, recent results on several repulsive models of colloidal liquid crystals are presented.
Molecular Dynamics computer simulations have been used to trace the phase boundaries of pure systems of worm-like, semiflexible rods, as a function of an internal flexibility parameter. Attention has been given to the evolution of the phase transitions taking place, most notably to the smectic-nematic and nematic-isotropic ones. Couplings between phase structure and particle conformation have been revealed, as well as an unexpected behaviour of the diffusion coefficients with the degree of flexibility observed.
Density functional theory has been used to calculate the phase diagram of a number of binary mixtures of hard rods. Smectic phases have been included in the calculations, besides the usual isotropic and nematic phases.ones. Interesting phenomena have been observed, which include competing de-mixing transitions, micro-separated smectic phases, triple, critical and azeotropic points.
All results presented should be of basic relevance to the field of lyotropic liquid crystals of both mineral and biological origin.
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