97-04E
97-04E
Investigation of nematic-isotropic phase transition in liquid crystals by Monte Carlo simulations of lattice models
The lattice model of the elongated molecules interacting via the Berne-Pechukas potential is proposed. The Monte Carlo simulations of such a system is performed in the vicinity of the nematic-isotropic (NI) transition. The internal energy, heat capacity and scalar order parameter near transition are investigated. It is shown that for more elongated molecules NI transition becomes of more strong first order. The results are compared both with the results of other computer simulations and with the experiment. It is shown that the behaviour of many nematics in the vicinity of NI transition can be described by proposed model with the elongation ratio of molecules from 3 to 5.