Literature DB >> 20647388

Small-angle scattering and the structure of ambient liquid water.

Gary N I Clark1, Greg L Hura, Jose Teixeira, Alan K Soper, Teresa Head-Gordon.   

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.

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Year:  2010        PMID: 20647388      PMCID: PMC2922569          DOI: 10.1073/pnas.1006599107

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  19 in total

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Authors:  Teresa Head-Gordon; Steven W Rick
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Authors:  Emily B Moore; Valeria Molinero
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Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1999-07

10.  Robust, high-throughput solution structural analyses by small angle X-ray scattering (SAXS).

Authors:  Greg L Hura; Angeli L Menon; Michal Hammel; Robert P Rambo; Farris L Poole; Susan E Tsutakawa; Francis E Jenney; Scott Classen; Kenneth A Frankel; Robert C Hopkins; Sung-Jae Yang; Joseph W Scott; Bret D Dillard; Michael W W Adams; John A Tainer
Journal:  Nat Methods       Date:  2009-07-20       Impact factor: 28.547

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  27 in total

1.  The nano-structural inhomogeneity of dynamic hydrogen bond network of TIP4P/2005 water.

Authors:  Vladimir Belosludov; Kirill Gets; Ravil Zhdanov; Valery Malinovsky; Yulia Bozhko; Rodion Belosludov; Nikolay Surovtsev; Oleg Subbotin; Yoshiyuki Kawazoe
Journal:  Sci Rep       Date:  2020-04-30       Impact factor: 4.379

2.  Two-dimensional Raman-terahertz spectroscopy of water.

Authors:  Janne Savolainen; Saima Ahmed; Peter Hamm
Journal:  Proc Natl Acad Sci U S A       Date:  2013-12-02       Impact factor: 11.205

3.  High density amorphous ice at room temperature.

Authors:  Jing-Yin Chen; Choong-Shik Yoo
Journal:  Proc Natl Acad Sci U S A       Date:  2011-04-25       Impact factor: 11.205

4.  Density hysteresis of heavy water confined in a nanoporous silica matrix.

Authors:  Yang Zhang; Antonio Faraone; William A Kamitakahara; Kao-Hsiang Liu; Chung-Yuan Mou; Juscelino B Leão; Sung Chang; Sow-Hsin Chen
Journal:  Proc Natl Acad Sci U S A       Date:  2011-07-11       Impact factor: 11.205

5.  Water is not a dynamic polydisperse branched polymer.

Authors:  Teresa Head-Gordon; Francesco Paesani
Journal:  Proc Natl Acad Sci U S A       Date:  2019-06-25       Impact factor: 11.205

6.  Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization: Bond orientational order in liquids.

Authors:  Hajime Tanaka
Journal:  Eur Phys J E Soft Matter       Date:  2012-10-31       Impact factor: 1.890

7.  Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water.

Authors:  Thomas D Kühne; Rustam Z Khaliullin
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

8.  Microscopic structure of water at elevated pressures and temperatures.

Authors:  Christoph J Sahle; Christian Sternemann; Christian Schmidt; Susi Lehtola; Sandro Jahn; Laura Simonelli; Simo Huotari; Mikko Hakala; Tuomas Pylkkänen; Alexander Nyrow; Kolja Mende; Metin Tolan; Keijo Hämäläinen; Max Wilke
Journal:  Proc Natl Acad Sci U S A       Date:  2013-03-11       Impact factor: 11.205

9.  Metastable liquid-liquid transition in a molecular model of water.

Authors:  Jeremy C Palmer; Fausto Martelli; Yang Liu; Roberto Car; Athanassios Z Panagiotopoulos; Pablo G Debenedetti
Journal:  Nature       Date:  2014-06-19       Impact factor: 49.962

10.  A hierarchical algorithm for fast Debye summation with applications to small angle scattering.

Authors:  Nail A Gumerov; Konstantin Berlin; David Fushman; Ramani Duraiswami
Journal:  J Comput Chem       Date:  2012-06-18       Impact factor: 3.376

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