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Correction to the Clausius–Mosotti equation: The dielectric constant of nonpolar fluids from Monte Carlo simulations

J. Chem. Phys. 131, 164120 (2009); doi:10.1063/1.3253684

Published 30 October 2009

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Mónika Valiskó and Dezső Boda
Department of Physical Chemistry, University of Pannonia, P.O. Box 158, H-8201 Veszprém, Hungary
We examine the dielectric constant of nonpolar fluids by direct Monte Carlo simulations on the basis of the polarizable hard sphere (PHS) model, where the spheres carry molecular polarizabilities. Point dipoles are induced in the spheres partly by an external electric field and partly by other molecules. It has been known that the Clausius–Mosotti equation needs a correction due to mutual polarization between molecules. We reproduce the qualitative behavior found in experiments: the correction increases with increasing density, reaches a maximum, and decreases at high densities. We show that the classic theory of Kirkwood and Yvon is quantitatively correct for the PHS model. ©2009 American Institute of Physics
History: Received 18 June 2009; accepted 2 October 2009; published 30 October 2009
Permalink: http://link.aip.org/link/?JCPSA6/131/164120/1
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KEYWORDS and PACS

Keywords
PACS
  • 77.22.Ch
    Permittivity (dielectric function)
  • 61.20.Ja
    Computer simulation of liquid structure
  • YEAR: 2009

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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