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Title: Observation of Fractional Stokes-Einstein Behavior in the Simplest Hydrogen-Bonded Liquid

Abstract

Quasielastic neutron scattering has been used to investigate the single-particle dynamics of hydrogen fluoride across its entire liquid range at ambient pressure. For T>230 K, translational diffusion obeys the celebrated Stokes-Einstein relation, in agreement with nuclear magnetic resonance studies. At lower temperatures, we find significant deviations from the above behavior in the form of a power law with exponent {xi}=-0.71{+-}0.05. More striking than the above is a complete breakdown of the Debye-Stokes-Einstein relation for rotational diffusion. Our findings provide the first experimental verification of fractional Stokes-Einstein behavior in a hydrogen-bonded liquid, in agreement with recent computer simulations [S. R. Becker et al., Phys. Rev. Lett. 97, 055901 (2006)].

Authors:
;  [1];  [2]; ;  [3];  [4]
  1. ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom)
  2. CSIC-Instituto Estructura de la Materia and Department of Electricity and Electronics, University Basque Country, P.O. Box 644, Bilbao 48080 (Spain)
  3. Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996-1600 (United States)
  4. Spallation Neutron Source, Oak Ridge National Laboratory, Scarboro Road, Oak Ridge, Tennessee 37830 (United States)
Publication Date:
OSTI Identifier:
20955477
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters; Journal Volume: 98; Journal Issue: 7; Other Information: DOI: 10.1103/PhysRevLett.98.077801; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 36 MATERIALS SCIENCE; COMPUTERIZED SIMULATION; HYDROFLUORIC ACID; HYDROGEN; LIQUIDS; NEUTRON REACTIONS; NUCLEAR MAGNETIC RESONANCE; QUASI-ELASTIC SCATTERING

Citation Formats

Fernandez-Alonso, F., McLain, S. E., Bermejo, F. J., Turner, J. F. C., Molaison, J. J., and Herwig, K. W. Observation of Fractional Stokes-Einstein Behavior in the Simplest Hydrogen-Bonded Liquid. United States: N. p., 2007. Web. doi:10.1103/PHYSREVLETT.98.077801.
Fernandez-Alonso, F., McLain, S. E., Bermejo, F. J., Turner, J. F. C., Molaison, J. J., & Herwig, K. W. Observation of Fractional Stokes-Einstein Behavior in the Simplest Hydrogen-Bonded Liquid. United States. doi:10.1103/PHYSREVLETT.98.077801.
Fernandez-Alonso, F., McLain, S. E., Bermejo, F. J., Turner, J. F. C., Molaison, J. J., and Herwig, K. W. Fri . "Observation of Fractional Stokes-Einstein Behavior in the Simplest Hydrogen-Bonded Liquid". United States. doi:10.1103/PHYSREVLETT.98.077801.
@article{osti_20955477,
title = {Observation of Fractional Stokes-Einstein Behavior in the Simplest Hydrogen-Bonded Liquid},
author = {Fernandez-Alonso, F. and McLain, S. E. and Bermejo, F. J. and Turner, J. F. C. and Molaison, J. J. and Herwig, K. W.},
abstractNote = {Quasielastic neutron scattering has been used to investigate the single-particle dynamics of hydrogen fluoride across its entire liquid range at ambient pressure. For T>230 K, translational diffusion obeys the celebrated Stokes-Einstein relation, in agreement with nuclear magnetic resonance studies. At lower temperatures, we find significant deviations from the above behavior in the form of a power law with exponent {xi}=-0.71{+-}0.05. More striking than the above is a complete breakdown of the Debye-Stokes-Einstein relation for rotational diffusion. Our findings provide the first experimental verification of fractional Stokes-Einstein behavior in a hydrogen-bonded liquid, in agreement with recent computer simulations [S. R. Becker et al., Phys. Rev. Lett. 97, 055901 (2006)].},
doi = {10.1103/PHYSREVLETT.98.077801},
journal = {Physical Review Letters},
number = 7,
volume = 98,
place = {United States},
year = {Fri Feb 16 00:00:00 EST 2007},
month = {Fri Feb 16 00:00:00 EST 2007}
}