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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry