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Molecular dynamics studies of dielectric behaviour and orientational correlations of liquid ethylene oxide (oxirane)
- DOI:
- 10.1080/00268978500100371
pages 467-478
Available online: 23 Aug 2006Abstract
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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- Citation information:
- Available online: 23 Aug 2006
Author affiliations
- a Mathematics Department, University of Melbourne, Parkville, Victoria, 3052, Australia
- b Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland
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