TITLE

Theory and simulation of polar and nonpolar polarizable fluids

AUTHOR(S)
Cao, Jianshu; Berne, B. J.
PUB. DATE
November 1993
SOURCE
Journal of Chemical Physics;11/1/1993, Vol. 99 Issue 9, p6998
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The theory of polarizable fluids is developed on the basis of a model fluid consisting of anisotropic Drude oscillators with embedded permanent dipoles. A matrix Monte Carlo method is used to simulate these fluids and to compare their dielectric properties with the predictions of the mean spherical approximation (MSA) theory. Simple identities are used in conjunction with the matrix expressions to derive mean spherical approximations to the screening functions for charges and permanent multipoles in polarizable fluids. This is useful in the theory of the solvated electron.
ACCESSION #
7619689

 

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