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Computer simulation studies of anisotropic systems. VII. Pretransitional effects in nematogens

We have studied the pretransitional behaviour at the nematic-isotropic transition for two systems by simulating the second-rank Kirkwood g-factor in the isotropic phase using the Monte Carlo technique. The Lebwohl-Lasher model was used for one nematogen while for the other the simple anisotropic intermolecular potential was replaced by a truncated dispersion potential. The simulated g2-factor is found to diverge for both potentials as the nematic-isotropic transition is approached, in accord with the anticipated increase in angular correlations. The divergence in g2 observed for the two anisotropic potentials is compared with experiment and with the predictions of the Landau-de Gennes theory. The best agreement for both theory and experiment is found for g2 simulated with the simple potential.