Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids

V. P. Sokhan, F. S. Cipcigan, A.P. Jones, J. Crain, G. J. Martyna

Research output: Contribution to journalArticlepeer-review

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.
Original languageEnglish
Article number117801
JournalPhysical Review Letters
Volume115
Issue number11
DOIs
Publication statusPublished - 5 Aug 2015

Keywords

  • cond-mat.stat-mech
  • physics.chem-ph

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