Hidden scale invariance in molecular van der Waals liquids: A simulation study

Abstract

Results from molecular dynamics simulations of two viscous molecular model liquids -- the Lewis-Wahnstrom model of ortho-terphenyl and an asymmetric dumbbell model -- are reported. We demonstrate that the liquids have a ``hidden'' approximate scale invariance: Equilibrium potential energy fluctuations are accurately described by inverse power law (IPL) potentials, the radial distribution functions are accurately reproduced by the IPL's, and the radial distribution functions obey the IPL predicted scaling properties to a good approximation. IPL scaling of the dynamics also applies -- with the scaling exponent predicted by the equilibrium fluctuations. In contrast, the equation of state does not obey the IPL scaling. We argue that our results are general for van der Waals liquids, but do not apply, e.g., for hydrogen-bonded liquids.

7 pages, 9 figures

References in corpus (10)

• Thermodynamic Scaling of the Viscosity of Van Der Waals, H-Bonded, and Ionic Liquids
• Pressure-energy correlations in liquids. I. Results from computer simulations
• Pressure-energy correlations in liquids. II. Analysis and consequences
• Strong pressure-energy correlations in van der Waals liquids
• Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids
• Pressure-energy correlations and thermodynamic scaling in viscous Lennard-Jones liquids
• Feasibility of single-order parameter description of equilibrium viscous liquid dynamics
• Single-order-parameter description of glass-forming liquids: A one-frequency test
• Glass-forming liquids: One or more "order" parameters?
• Entropy Basis for the Thermodynamic Scaling of the Dynamics of OTP

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