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

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Abstract
A theoretical decomposition of the dielectric spectrum of a fluid with permanent and interaction-induced dipoles is discussed. The spectrum is separated into a term which has the ‘re-orientational’ frequency dependence of the permanent dipole density, modified by a ‘local field factor’ and a ‘collision-induced’ term. The utility of this decomposition in representing the frequency dependent permittivity of a computer simulation of methyl cyanide is considered. Both permanent dipoles and the dipoles induced by the fields from the permanent charge distributions of other molecules are considered and the calculated permittivity is in good agreement with that obtained in experimental studies. The value of the local field factor is compared with the value predicted by a theory which leads to the Fröhlich expression for the static permittivity.