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Persistent URL http://purl.org/net/epubs/work/17798273
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Record Id 17798273
Title Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids
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
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Language English (EN)
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Journal Article Phys Rev Lett 115 (2015): 117801. doi:10.1103/PhysRevLett.115.117801 2015