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Title: The structure of water around the compressibility minimum

Abstract

One of the many unusual properties of water is a minimum in the isothermal compressibility at 46.5°C. At higher or lower temperatures the structure of liquid water changes providing less resistance to pressure. Here we present high energy x-ray diffraction data over a wide range of momentum transfers that shows the 1st oxygen-oxygen shell expands linearly and has a constant coordination of 4.3(2) (measured up to 3.3 ) over the temperature range -19°C to 93°C. The second peak in the oxygen-oxygen pair distribution function, displays a continuous structural transition, concomitant with the compressibility minimum at 46.5°C. The least compressible form of water at ambient pressure is associated with an average nearest neighbor O-O distance of 2.810(5) and an average O-O-O angle of ~108°.

Authors:
ORCiD logo [1];  [2];  [3];  [4]
  1. Argonne National Lab. (ANL), Argonne, IL (United States); Stony Brook Univ., Stony Brook, NY (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Stony Brook Univ., Stony Brook, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1330509
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 141; Journal Issue: 21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; particle distribution functions; X-ray diffraction; scattering measurements; neutron diffraction; temperature measurement

Citation Formats

Skinner, Lawrie B., Benmore, C. J., Neuefeind, Joerg C., and Parise, John B. The structure of water around the compressibility minimum. United States: N. p., 2014. Web. doi:10.1063/1.4902412.
Skinner, Lawrie B., Benmore, C. J., Neuefeind, Joerg C., & Parise, John B. The structure of water around the compressibility minimum. United States. doi:10.1063/1.4902412.
Skinner, Lawrie B., Benmore, C. J., Neuefeind, Joerg C., and Parise, John B. Wed . "The structure of water around the compressibility minimum". United States. doi:10.1063/1.4902412. https://www.osti.gov/servlets/purl/1330509.
@article{osti_1330509,
title = {The structure of water around the compressibility minimum},
author = {Skinner, Lawrie B. and Benmore, C. J. and Neuefeind, Joerg C. and Parise, John B.},
abstractNote = {One of the many unusual properties of water is a minimum in the isothermal compressibility at 46.5°C. At higher or lower temperatures the structure of liquid water changes providing less resistance to pressure. Here we present high energy x-ray diffraction data over a wide range of momentum transfers that shows the 1st oxygen-oxygen shell expands linearly and has a constant coordination of 4.3(2) (measured up to 3.3 ) over the temperature range -19°C to 93°C. The second peak in the oxygen-oxygen pair distribution function, displays a continuous structural transition, concomitant with the compressibility minimum at 46.5°C. The least compressible form of water at ambient pressure is associated with an average nearest neighbor O-O distance of 2.810(5) and an average O-O-O angle of ~108°.},
doi = {10.1063/1.4902412},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 21,
volume = 141,
place = {United States},
year = {2014},
month = {12}
}

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    Works referencing / citing this record:

    Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics
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    Intermediate range order in supercooled water
    journal, February 2019