The structure of water around the compressibility minimum

Skinner, L. B.; Neuefeind, J. C.; Parise, J. B.

doi:10.1063/1.4902412

Title: The structure of water around the compressibility minimum

Journal Article · Sun Dec 07 00:00:00 EST 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4902412· OSTI ID:22413274

Skinner, L. B. ^[1]; Neuefeind, J. C. ^[2]; Parise, J. B. ^[3]

X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)
Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37922 (United States)
Mineral Physics Institute, Stony Brook University, Stony Brook, New York, New York 11794-2100 (United States)

Here we present diffraction data that yield the oxygen-oxygen pair distribution function, g{sub OO}(r) over the range 254.2–365.9 K. The running O-O coordination number, which represents the integral of the pair distribution function as a function of radial distance, is found to exhibit an isosbestic point at 3.30(5) Å. The probability of finding an oxygen atom surrounding another oxygen at this distance is therefore shown to be independent of temperature and corresponds to an O-O coordination number of 4.3(2). Moreover, the experimental data also show a continuous transition associated with the second peak position in g{sub OO}(r) concomitant with the compressibility minimum at 319 K.

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OSTI ID:: 22413274

Journal Information:: Journal of Chemical Physics, Vol. 141, Issue 21; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606

Country of Publication:: United States

Language:: English

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