Static dielectric properties of Stockmayer fluids

E.L. Pollock and B.J. Alder

Physica A: Statistical Mechanics and its Applications, 1980, vol. 102, issue 1, 1-21

Abstract: Dielectric constants for the Stockmayer fluid are computed both from the equilibrium fluctuations of the polarization and from the polarization response to an applied field in a molecular dynamics simulation with periodic boundary conditions and with the dipole interactions treated by the Ewald method. The dielectric constant at finite wavelength is obtained from a Kirkwood-like expression, while for uniform polarization fluctuations a different expression applies due to the absence of surface effects in the Ewald calculation. The results are nearly independent of the number (up to 500) of particles investigated, even at large values of the dipole moment. The dielectric constants obtained from the approximate solution of the hypernetted chain integral equation are considerably larger than the molecular dynamics results except at low dielectric constants. The external field simulation permits study of the non-linear dependence of the dielectric constant on the magnitude of the applied electric field.

Date: 1980
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:102:y:1980:i:1:p:1-21

DOI: 10.1016/0378-4371(80)90058-8

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