CAVITATION AND ELECTROSTATIC FREE-ENERGY FOR MOLECULAR SOLUTES IN LIQUID-CRYSTALS

We present an expression, based on scaled particle theory,for the calc ulation of cavitation free energy of molecules dissolved in nematic li quid crystals. This expression, depending on the orientation of the So lute with respect to the director of the mesophase, completes the proc edure, recently developed, for the calculation of electrostatic free e nergy in such systems, and allows the quantitative study of the orient ing forces in anisotropic solutions. We report some applications to sm all rodlike molecules dissolved in a liquid crystal, for which the fre e energy orientational profile and the relevant elements of the Saupe matrix are calculated using ab initio HF 6-31G* methods.