1. Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids
- Author
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Sokhan, V. P., Jones, A., Cipcigan, F. S., Crain, J., and Martyna, G. J.
- Subjects
Condensed Matter - Statistical Mechanics ,Physics - Chemical Physics - Abstract
An electronically coarse-grained model for water reveals a persistent vestige of the liquid-gas transition deep into the supercritical region. A crossover in the density dependence of the molecular dipole arises from the onset of non-percolating hydrogen bonds. The crossover points coincide with the Widom line in the scaling region but extend further, tracking the heat capacity maxima, offering evidence for liquid- and gas-like state points in a "one-phase" fluid. The effect is present even in dipole-limit models suggesting that it is common for all molecular liquids exhibiting dipole enhancement in the liquid phase., Comment: A Letter with Supp. Material
- Published
- 2015
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