Molecular dynamics of the rough sphere fluid. II. Kinetic models of partially sticky spheres, structured spheres, and rough screwballs
- 1 April 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 66 (7) , 2821-2830
- https://doi.org/10.1063/1.434355
Abstract
The rough sphere model is extended and suitably generalized to collisions between partially rough spheres, ’’spheres’’ with anisotropic mass distributions, and spheres with domains of roughness and smoothness distributed in such a way as to model polyatomic models. These models are used to compute various relaxation and correlation times. In addition, a model is devised for the interaction of a chiral molecule and nonchiral solvent molecules. This model is used to compute the couplings between translations and rotations. In treating the chiral systems we extend the independent binary collision model to the multivariate case.Keywords
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