"Pseudoisomorphs" in liquids with intramolecular degrees of freedom

Abstract

Computer simulations show that liquids of molecules with harmonic intramolecular bonds may have "pseudoisomorphic" lines of approximately invariant dynamics in the thermodynamic phase diagram. We demonstrate that these lines can be identified by requiring scale invariance of the inherent-structure reduced-unit low-frequency vibrational spectrum evaluated for a single equilibrium configuration. This rationalizes why excess-entropy scaling, density scaling, and isochronal superposition apply for many liquids with internal degrees of freedom.

References in corpus (3)

• Relationship between Structure, Entropy and Diffusivity in Water and Water-like Liquids
• Tuning density profiles and mobility of inhomogeneous fluids
• Inverse Design for Self Assembly via On-the-Fly Optimization

Cited by in corpus (3)

• Virial-potential energy correlation and its relation to the density scaling for quasi-real model systems
• The origin of the density scaling exponent for polyatomic molecules and the estimation of its value from the liquid structure
• Scaling Properties of Liquid Dynamics Predicted from a Single Configuration: Pseudoisomorphs for Harmonic-Bonded Molecules