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Communication: Pseudoisomorphs in liquids with intramolecular degrees of freedom.

Authors :
Olsen AE
Dyre JC
Schrøder TB
Source :
The Journal of chemical physics [J Chem Phys] 2016 Dec 28; Vol. 145 (24), pp. 241103.
Publication Year :
2016

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 generalized excess-entropy scaling, density scaling, and isochronal superposition apply for many liquids with internal degrees of freedom.

Details

Language :
English
ISSN :
1089-7690
Volume :
145
Issue :
24
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
28049307
Full Text :
https://doi.org/10.1063/1.4972860