Dipole solvation in dielectrics

摘要

This paper presents an exact solution for the free energy of linear solvation of a dipolar solute in an arbitrary dielectric material with a microscopic spectrum of polarization fluctuations.The solution is given in terms of wave vector-dependent longitudinal and transverse structure factors of the polarization fluctuations in the pure dielectric.Good agreement with computer simulations of dipole solvation in dipolar and dipolar-quadrupolar liquids is achieved.