Molecular dynamics studies of dielectric behaviour and orientational correlations of liquid ethylene oxide (oxirane)

Author： Wielopolski P.A.   Smith E.R.  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.54, Iss.2, 1985-02, pp. : 467-478

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Abstract

We report molecular dynamics simulations of 64 model ethylene oxide (oxirane) molecules at a mass density of 0·9 g cm -3 and a temperature in the vicinity of 260 K. We obtained a dielectric constant of 12·6 ± 0·05 which compares well with the experimental value of 13·9 at 272·15 K.

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