The structuredness of water at elevated temperatures along the saturation line

Y. Marcus*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

The structuredness of water is described quantitatively by several parameters over its existence as a liquid, along the saturation line, 0 to 374 °C. One is the number of intact hydrogen bonds, obtained from the ratio of the differences of the condensation Gibbs free energies of H2O and D2O, ΔDHΔGw*) and their hydrogen bond energies, estimated from spectroscopic data, ΔεDH. Other measures are the Kirkwood dipole orientation correlation parameter, g, the heat capacity density, corrected for that of the vapor, [Cp(1) - Cp(ig)]/V, the entropy deficit, ΔΔvapS°/R, relative to the vapor and an unstructured liquid, and the excess of the cohesive energy density over the internal pressure, [ΔvapH° - R TJ/V - Pi All these measures point to a gradual decrease of the structuredness of liquid water as the temperature increases, but to an appreciable amount of structure remaining up to the critical point.

Original languageEnglish
Pages (from-to)151-165
Number of pages15
JournalJournal of Molecular Liquids
Volume79
Issue number2
DOIs
StatePublished - 1999

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