The structure of water around the compressibility minimum

Skinner, Lawrie B.; Benmore, C. J.; Neuefeind, Joerg C.; Parise, John B.

doi:10.1063/1.4902412

Title: The structure of water around the compressibility minimum

Journal Article · Wed Dec 03 00:00:00 EST 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4902412· OSTI ID:1330509

^[1]; Benmore, C. J. ^[2]; Neuefeind, Joerg C. ^[3]; Parise, John B. ^[4]

Argonne National Lab. (ANL), Argonne, IL (United States); Stony Brook Univ., Stony Brook, NY (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Stony Brook Univ., Stony Brook, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)

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°.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1330509

Journal Information:: Journal of Chemical Physics, Vol. 141, Issue 21; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

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