TY - JOUR
T1 - The structuredness of water at elevated temperatures along the saturation line
AU - Marcus, Y.
PY - 1999
Y1 - 1999
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0013629828&partnerID=8YFLogxK
U2 - 10.1016/s0167-7322(98)00109-3
DO - 10.1016/s0167-7322(98)00109-3
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AN - SCOPUS:0013629828
SN - 0167-7322
VL - 79
SP - 151
EP - 165
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
IS - 2
ER -