The structure of water around the compressibility minimum
Abstract
Here we present diffraction data that yield the oxygen-oxygen pair distribution function, gOO(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 gOO(r) concomitant with the compressibility minimum at 319 K.
- Authors:
-
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Stony Brook Univ., NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1236552
- Alternate Identifier(s):
- OSTI ID: 1226579
- Report Number(s):
- BNL-108194-2015-JA
Journal ID: ISSN 0021-9606; R&D Project: LS001
- Grant/Contract Number:
- SC00112704; AC02-06CH11357; FG02-09ER46650
- Resource Type:
- Accepted Manuscript
- 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:
- 36 MATERIALS SCIENCE
Citation Formats
L. B. Skinner, Benmore, C. J., Parise, J., and Neuefeind, J. C. The structure of water around the compressibility minimum. United States: N. p., 2014.
Web. doi:10.1063/1.4902412.
L. B. Skinner, Benmore, C. J., Parise, J., & Neuefeind, J. C. The structure of water around the compressibility minimum. United States. https://doi.org/10.1063/1.4902412
L. B. Skinner, Benmore, C. J., Parise, J., and Neuefeind, J. C. Wed .
"The structure of water around the compressibility minimum". United States. https://doi.org/10.1063/1.4902412. https://www.osti.gov/servlets/purl/1236552.
@article{osti_1236552,
title = {The structure of water around the compressibility minimum},
author = {L. B. Skinner and Benmore, C. J. and Parise, J. and Neuefeind, J. C.},
abstractNote = {Here we present diffraction data that yield the oxygen-oxygen pair distribution function, gOO(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 gOO(r) concomitant with the compressibility minimum at 319 K.},
doi = {10.1063/1.4902412},
journal = {Journal of Chemical Physics},
number = 21,
volume = 141,
place = {United States},
year = {Wed Dec 03 00:00:00 EST 2014},
month = {Wed Dec 03 00:00:00 EST 2014}
}
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