Dipole solvation in dielectrics |
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Authors: | Matyushov Dmitry V |
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Institution: | Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287-1604, USA. dmitrym@asu.edu |
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Abstract: | 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. |
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