Dipole solvation in dielectrics.

نویسنده

  • Dmitry V Matyushov
چکیده

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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عنوان ژورنال:
  • The Journal of chemical physics

دوره 120 3  شماره 

صفحات  -

تاریخ انتشار 2004