Liquid water model: Predicting phase separation and phase characteristics

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Abstract

A model of liquid water that considers the presence of intact, distorted and broken H-bonds in the liquid predicts the anomalous density variation at around 277 K and a liquid-liquid phase separation at around 223 K under 1 atm pressure. The liquid phases at 223 K have densities of around 0.97 (phase I) and 0.92 g/mL (phase II) with very high and very low viscosities, and may represent phases with glassy and superfluid characteristics, respectively. The superfluid phase II terminates at around 219 K with the formation of ice Ih, and the glassy phase I, if it avoids conversion to phase II (at 223 K) in ultra-fast cooling, may remain in the glassy state until its termination at around 150 K with the formation of ice Ic.

Original languageEnglish (US)
Pages (from-to)161-167
Number of pages7
JournalJournal of Molecular Structure: THEOCHEM
Volume755
Issue number1-3
DOIs
StatePublished - Sep 15 2005

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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