CyberinfraV1, France, Analysis, bibRecord, 000039

Small-angle scattering and the structure of ambient liquid water

Identifieur interne : 000039 ( France/Analysis ); précédent : 000038; suivant : 000040

Small-angle scattering and the structure of ambient liquid water

Auteurs : Gary N. I. Clark [États-Unis] ; Greg L. Hura [États-Unis] ; Jose Teixeira [France] ; Alan K. Soper [Royaume-Uni] ; Teresa Head-Gordon [États-Unis]

Source :

Proceedings of the National Academy of Sciences of the United States of America [ 0027-8424 ] ; 2010.

RBID : PMC:2922569

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.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2922569

DOI: 10.1073/pnas.1006599107
PubMed: 20647388
PubMed Central: 2922569

Affiliations:

Links to Exploration step

PMC:2922569

Le document en format XML

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<front><div type="abstract" xml:lang="en"><p>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.</p>
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Small-angle scattering and the structure of ambient liquid water

Small-angle scattering and the structure of ambient liquid water

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Abstract

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