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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 45, 1982 - Issue 5
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Original Articles

The dielectric constant of polar hard dumb-bells

A point charge model for chloromethane

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Pages 1099-1112 | Received 25 Sep 1981, Accepted 23 Nov 1981, Published online: 22 Aug 2006
 

Abstract

We present Monte Carlo simulation results for the dielectric constant of the polar hard dumb-bell fluid. The Ewald sum technique is used to take account of the long range nature of the electrostatic interactions. The results for the dielectric constant are found to be sensitive to the choice of the dielectric constant of the continuum which surrounds the simulation sample. We include comparisons with experimental results on chloromethane and the predictions of an analytically solvable approximation for the polar hard dumb-bell fluid.

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