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Interplay between Microscopic Diffusion and Local Structure of Liquid Water

Journal Article · · Journal of Physical Chemistry B
DOI:https://doi.org/10.1021/jp1073768· OSTI ID:1020870

We present a quasielastic neutron scattering (QENS) study of single-particle dynamics in pure water, measured at temperatures between 256 and 293 K along an isobaric path at 200 MPa. A thorough analysis of the spectral line shapes reveals a departure from simple models of continuous or jump diffusion, with such an effect becoming stronger at lower temperatures. We show that such a diverging trend of dynamical quantities upon cooling closely resembles the divergent (anomalous) compressibility observed in water by small-angle diffraction. Such an analogy suggests an interesting interplay between single-particle diffusion and structural arrangements in liquid water, both bearing witness of the well-known water anomalies. In particular, a fit of dynamical parameters by a Vogel-Tammann-Fulcher law provides a critical temperature of about 220 K, interestingly close to the hypothesized position of the second critical point of water and to the so-called Widom line.

Research Organization:
BROOKHAVEN NATIONAL LABORATORY (BNL)
Sponsoring Organization:
DOE - OFFICE OF SCIENCE
DOE Contract Number:
AC02-98CH10886
OSTI ID:
1020870
Report Number(s):
BNL--94688-2011-JA; 39KC02000
Journal Information:
Journal of Physical Chemistry B, Journal Name: Journal of Physical Chemistry B Journal Issue: 50 Vol. 114; ISSN 1520-6106
Country of Publication:
United States
Language:
English

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