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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 51, 1984 - Issue 5
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Original Articles

A computer simulation study of the dielectric properties of a model of methyl cyanide

I. The rigid dipole case

, &
Pages 1141-1161 | Received 15 Aug 1983, Accepted 22 Oct 1983, Published online: 22 Aug 2006
 

Abstract

The dielectric permittivity of a model fluid representing methyl cyanide has been studied with a view to testing a recently developed theory of the frequency dependent dielectric permittivity. Although there are large correlations between the orientations of dipoles the Kirkwood g factor is close to the trivial value of unity; this contrasts with the behaviour of Stockmayer and similar model fluids and is a consequence of the molecular shape. The time dependence of both the longitudinal and transverse components of the dipole density is obtained and related to the relaxation of the single molecule dipole correlation function. The applicability of the ‘dipolaron’ description to the oscillation observed in the relaxation of the longitudinal component is examined.

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