1.
J Chem Phys
; 145(24): 241103, 2016 Dec 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-28049307
RESUMO
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.