Strong pressure-energy correlations in van der Waals liquids

Strong correlations between equilibrium fluctuations of the configurational parts of pressure and energy are found in the Lennard-Jones liquid and other simple liquids, but not in hydrogen-bonding liquids like methanol and water. The correlations, that are present also in the crystal and glass phase...

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Bibliographic Details
Published in:arXiv.org 2007-11
Main Authors: Pedersen, Ulf R, Bailey, Nicholas, Schrøder, Thomas B, Dyre, Jeppe C
Format: Article
Language:English
Subjects:
Argon
Correlation
Hydrogen bonding
Liquids
Variations
Online Access:Get full text
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Summary:Strong correlations between equilibrium fluctuations of the configurational parts of pressure and energy are found in the Lennard-Jones liquid and other simple liquids, but not in hydrogen-bonding liquids like methanol and water. The correlations, that are present also in the crystal and glass phases, reflect an effective inverse power-law repulsive potential dominating fluctuations, even at zero and slightly negative pressure. In experimental data for supercritical Argon, the correlations are found to be approximately 96%. Consequences for viscous liquid dynamics are discussed.
ISSN:2331-8422
DOI:10.48550/arxiv.0702146