Statistical-Mechanical Theory of Systems Composed of Interacting Ellipsoidal Molecules at a Solid Surface

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 the rotational viscosity coefficient (RVC) 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 parameters and rotational viscosity coefficient at the solid-nematic fluid interface have been calculated.

Key Words:

• Conditional distribution functions
• nonlinear integral equations