English

Intermolecular distance and density scaling of dynamics in molecular liquids

Soft Condensed Matter 2019-06-26 v1

Abstract

A broad variety of liquids conform to density scaling: relaxation times expressed as a function of the ratio of temperature to density, the latter raised to a material constant {\gamma}. For atomic liquids interacting only through simple pair potentials, the exponent {\gamma} is very nearly equal to n/3, where n is the steepness of the intermolecular potential, while for molecular liquids having rigid bonds and built using the same interatomic potential, {\gamma}>n/3. We find that for this class of molecular liquids {\gamma}=n/{\delta}, where the parameter {\delta} relates the intermolecular distance to the density along an isomorph (line of approximately constant dynamics and structure). {\delta} depends only on the molecular structure and not the interatomic potential.

Keywords

Cite

@article{arxiv.1904.02026,
  title  = {Intermolecular distance and density scaling of dynamics in molecular liquids},
  author = {D. Fragiadakis and C. M. Roland},
  journal= {arXiv preprint arXiv:1904.02026},
  year   = {2019}
}