DOI: 10.1063/1.456028. Molecular dynamics investigation of expanded water at elevated temperatures

Molecular dynamics investigation of expanded water at elevated temperatures

10.1063/1.456028

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The structure of expanded states of TIP4P water has been examined over a range of densities running from 1000 to 100 kg/m3 and for a range of temperatures running from the coexistence temperature up to supercritical temperatures. The main result is that hydrogen bonding, as evidenced by the maximum in gOH (R) at 0.18 nm, persists to supercritical temperatures over the entire density range examined. For most liquid densities, the number of hydrogen bonds per molecule scales as a single function of the temperature but does not scale for dense vapor densities.

Bibliography

Mountain, R. D. (1989). Molecular dynamics investigation of expanded water at elevated temperatures. The Journal of Chemical Physics, 90(3), 1866â1870.

Authors 1

Raymond D. Mountain (first)

References 25 Referenced 99

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Dates

Type	When
Created	23 years ago (July 26, 2002, 9:10 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 3:56 a.m.)
Indexed	2 weeks ago (Aug. 7, 2025, 5:01 p.m.)
Issued	36 years, 6 months ago (Feb. 1, 1989)
Published	36 years, 6 months ago (Feb. 1, 1989)
Published Print	36 years, 6 months ago (Feb. 1, 1989)

Funders 0

None

BibTeX

@article{Mountain_1989, title={Molecular dynamics investigation of expanded water at elevated temperatures}, volume={90}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.456028}, DOI={10.1063/1.456028}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Mountain, Raymond D.}, year={1989}, month=feb, pages={1866–1870} }

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