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

Piotr A. Wielopolski, E.R. Smith

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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Key concepts: Ethylene oxide, Dielectric, Molecular dynamics, Ethylene, Chemistry, Oxide, Dynamics (music), Molecule