Computer Simulation Studies of Anisotropic Systems. VII. Pretransitional Effects in Nematogens
Abstract
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 g_2-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 g_2 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 g_2 simulated with the simple potential.
- Publication:
-
Proceedings of the Royal Society of London Series A
- Pub Date:
- August 1982
- DOI:
- 10.1098/rspa.1982.0103
- Bibcode:
- 1982RSPSA.382..307H