J. Phys. I France
Volume 2, Numéro 11, November 1992
Page(s) 2075 - 2088
DOI: 10.1051/jp1:1992268
J. Phys. I France 2 (1992) 2075-2088

A statistical-mechanical model for calculating equilibrium properties of a nematic liquid crystal

E. T. Brook-Levinson1, A. V. Zakharov2 and V. B. Nemtsov3

1  Luikov Heat and Mass Transfer Institute, Academy of Sciences of Belorussia, 220728, Minsk, Belorussia
2  St. Petersburg Institute for Machine Sciences, Academy of Sciences of Russia, 199178, St. Petersburg, Russia
3  Byelorussian Technological Institute, 220630, Minsk, Belorussia

(Received 30 January 1992, accepted in final form 22 July 1992)

We have proposed an optimized statistical-mechanical model of a nematic liquid crystal using the method of conditional distributions due to Rott. The calculations have been carried out for hexagonal and cubic close packings with the nearest neighbour Gay-Berne intermolecular potential. The theory takes pair intermolecular correlations into account. The hexagonal close packing proves to be favourable as compared to the cubic one. Optimized values of the cell model parameter have been calculated providing the minimum Helmholtz free energy of a liquid crystal.

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