Abstract
We employ classical molecular dynamics simulations to study the rotational and translational dynamics of propylene carbonate. The homogeneous and heterogeneous contributions to the nonexponential relaxation are studied. The non-Gaussian parameter is found to be strongly correlated with the degree of heterogeneity. Furthermore the coupling between translational and rotational motion is investigated. A dimensionless coupling constant is introduced which is found to increase with increasing time scale and decreasing temperature.
Original language | English (US) |
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Pages (from-to) | 4514-4522 |
Number of pages | 9 |
Journal | Journal of Chemical Physics |
Volume | 110 |
Issue number | 9 |
DOIs | |
State | Published - Mar 1 1999 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry