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Persistent URL
http://purl.org/net/epubs/work/17798273
Record Status
Checked
Record Id
17798273
Title
Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids
Contributors
VP Sokhan
,
A Jones
,
FS Cipcigan
,
J Crain
,
GJ Martyna
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.
Organisation
STFC
,
HC
Keywords
super-critical water
,
polar fluids
,
simulation
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
Phys Rev Lett
115 (2015): 117801.
doi:10.1103/PhysRevLett.115.117801
2015
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