DOI: 10.1073/pnas.1006599107. Small-angle scattering and the structure of ambient liquid water

Small-angle scattering and the structure of ambient liquid water

10.1073/pnas.1006599107

Crossref journal-article

Proceedings of the National Academy of Sciences

Proceedings of the National Academy of Sciences (341)

Abstract

Structural polyamorphism has been promoted as a means for understanding the anomalous thermodynamics and dynamics of water in the experimentally inaccessible supercooled region. In the metastable liquid region, theory has hypothesized the existence of a liquid-liquid critical point from which a dividing line separates two water species of high and low density. A recent small-angle X-ray scattering study has claimed that the two structural species postulated in the supercooled state are seen to exist in bulk water at ambient conditions. We analyze new small-angle X-ray scattering data on ambient liquid water taken at third generation synchrotron sources, and large 32,000 water molecule simulations using the TIP4P-Ew model of water, to show that the small-angle region measures standard number density fluctuations consistent with water’s isothermal compressibility temperature trends. Our study shows that there is no support or need for heterogeneities in water structure at room temperature to explain the small-angle scattering data, as it is consistent with a unimodal density of the tetrahedral liquid at ambient conditions.

Bibliography

Clark, G. N. I., Hura, G. L., Teixeira, J., Soper, A. K., & Head-Gordon, T. (2010). Small-angle scattering and the structure of ambient liquid water. Proceedings of the National Academy of Sciences, 107(32), 14003â14007.

Authors 5

Gary N. I. Clark (first)
Greg L. Hura (additional)
Jose Teixeira (additional)
Alan K. Soper (additional)
Teresa Head-Gordon (additional)

References 42 Referenced 180

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Dates

Type	When
Created	15 years, 1 month ago (July 20, 2010, 11:49 p.m.)
Deposited	3 years, 4 months ago (April 14, 2022, 2:45 a.m.)
Indexed	2 weeks, 6 days ago (Aug. 2, 2025, 12:10 a.m.)
Issued	15 years, 1 month ago (July 20, 2010)
Published	15 years, 1 month ago (July 20, 2010)
Published Online	15 years, 1 month ago (July 20, 2010)
Published Print	15 years ago (Aug. 10, 2010)

Funders 0

None

BibTeX

@article{Clark_2010, title={Small-angle scattering and the structure of ambient liquid water}, volume={107}, ISSN={1091-6490}, url={http://dx.doi.org/10.1073/pnas.1006599107}, DOI={10.1073/pnas.1006599107}, number={32}, journal={Proceedings of the National Academy of Sciences}, publisher={Proceedings of the National Academy of Sciences}, author={Clark, Gary N. I. and Hura, Greg L. and Teixeira, Jose and Soper, Alan K. and Head-Gordon, Teresa}, year={2010}, month=jul, pages={14003–14007} }

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