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

Mónika Valiskó, D. Boda

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number164120
JournalThe Journal of Chemical Physics
Volume131
Issue number16
DOIs
Publication statusPublished - 2009

Fingerprint

Permittivity
permittivity
Fluids
fluids
simulation
Molecules
molecules
Electric fields
Polarization
dipoles
electric fields
Monte Carlo simulation
polarization
Experiments

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Correction to the Clausius-Mosotti equation : The dielectric constant of nonpolar fluids from Monte Carlo simulations. / Valiskó, Mónika; Boda, D.

In: The Journal of Chemical Physics, Vol. 131, No. 16, 164120, 2009.

Research output: Contribution to journalArticle

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