Conditional distribution function approach to the theory of the solid–nematic-fluid interface

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Abstract
A statistical-mechanical theory which takes into account translational-translational, orientational-orientational, and mixed correlations, based upon the method of conditional distribution functions, is applied to calculations of the order parameters and surface free energy of a system composed of interacting ellipsoidal molecules near an interacting wall. The calculations have been carried out for cubic close packing with the nearest-neighbor Gay-Berne intermolecular potential and with a (9-3)-like orientation-dependent molecule-wall interaction. The theory shows that the number of surface layers which must be taken into account depends more on the character of intercell correlations in the system than on the direct wall-nematic interaction. The equilibrium order parameter and surface free energy profiles at the solid–nematic-fluid interface have been calculated. It is found that the number of surface layers for the case of a strong interaction between the solid wall and nematic phase and for the case of a weak one is the same and equal approximately four.