Liquid water model: Predicting phase separation and phase characteristics

Research output: Contribution to journalArticle

1 Citation (Scopus)

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

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Ice
Phase separation
Water
liquid phases
ice
Liquids
liquids
Viscosity
water
Pressure
viscosity
cooling
Cooling

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

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title = "Liquid water model: Predicting phase separation and phase characteristics",
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.",
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Liquid water model : Predicting phase separation and phase characteristics. / Khan, Arshad.

In: Journal of Molecular Structure: THEOCHEM, Vol. 755, No. 1-3, 15.09.2005, p. 161-167.

Research output: Contribution to journalArticle

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AB - 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.

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