Abstract
An ab initio method for the evaluation of free energy solvation changes near the interface of a solvent system composed of two immiscible liquids is illustrated with the examples of C 2H 5OH and C 2H 5NH 2 at the boundary of the water-benzene phase separation. The results are expressed in the form of a solvation free energy hypersurface (four dimensions) which unifies information about the preferred orientations of the solute near the surface with information about the energetics of the phase transfer.
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