Intermolecular distance and density scaling of dynamics in molecular liquids

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 γ. For atomic liquids interacting only through simple pair potentials, the exponent γ 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, γ>n/3. We find that for this class of molecular liquids γ=n/δ, where the parameter δ relates the intermolecular distance to the density along an isomorph (line of approximately constant dynamics and structure). δ depends only on the molecular structure and not the interatomic potential.

References in corpus (4)

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Cited by in corpus (7)

• Transport properties of Lennard-Jones fluids: Freezing density scaling along isotherms
• An extreme case of density scaling: The Weeks-Chandler-Andersen system at low temperatures
• Isomorph theory beyond thermal equilibrium
• Connecting Entropy Scaling and Density Scaling
• Unified scaling model for viscosity of crude oil over extended temperature range
• Scaling properties of liquid dynamics predicted from a single configuration: Small rigid molecules
• Isomorph invariance in the liquid and plastic-crystal phases of asymmetric-dumbbell models