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Intermolecular distance and density scaling of dynamics in molecular liquids

Authors :
Fragiadakis, D.
Roland, C. M.
Publication Year :
2019

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.

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.1904.02026
Document Type :
Working Paper
Full Text :
https://doi.org/10.1063/1.5098455