DOI: 10.1063/1.1696621. Overlap Interaction of Water Molecules

10.1063/1.1696621

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The dense-phase ice VII has special features that enable its equilibrium lattice constant under pressure, internal energy relative to ice I, and compressibility to be calculated readily by means of the vibrational Mie—Grüneisen equation of state and the integral and derivative thereof. Experimental values or estimates for these quantities allow evaluation of the overlap energy between neighboring water molecules that are not hydrogen bonded to one another. The result is sensitive to the assumed strength of the van der Waals attraction, which cannot be evaluated independently, but in any case it conflicts with second-virial-coefficient interpretations in indicating a relatively greater overlap repulsion. Experimental evidence from ice VII (quenched) at atmospheric pressure, and from ice II, tends to support a van der Waals interaction at least 50% greater than given by a standard semiempirical version of the London formula. The results enable the stability of Ice VII at very high pressures (∼200 kbar) to be discussed.

Bibliography

Kamb, B. (1965). Overlap Interaction of Water Molecules. The Journal of Chemical Physics, 43(11), 3917â3924.

Authors 1

Barclay Kamb (first)

References 57 Referenced 29

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Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 3:01 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 7:23 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 11:02 p.m.)
Issued	59 years, 8 months ago (Dec. 1, 1965)
Published	59 years, 8 months ago (Dec. 1, 1965)
Published Print	59 years, 8 months ago (Dec. 1, 1965)

Funders 0

None

BibTeX

@article{Kamb_1965, title={Overlap Interaction of Water Molecules}, volume={43}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1696621}, DOI={10.1063/1.1696621}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kamb, Barclay}, year={1965}, month=dec, pages={3917–3924} }

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