Origin of the enhanced structural and reorientational relaxation
rates in the presence of relatively weak dc electric fields
A. Vegiri
National Hellenic Research Foundation, Institute of
Theoretical and Physical
Chemistry, 48 Vas.Constantinou Ave., Athens 11 635, Greece
Abstract:
The origin of the dramatic increase of the reorientational and structural
relaxation rates of single water molecules in clusters of size N
= 16, 32, and 64 at T = 200 K, under the influence of an external,
relatively weak electric field (~0.5 107 V/cm) is examined through
molecular dynamics simulations. The observed effect is attributed not
to any profound structural changes, but to the increase of the size
of the molecular cage. The response of water to an electric field in
this range shows many similarities with the dynamics of water under
low pressure. By referring to simulations and experiments from the literature,
we show that in both cases the observed effects are dictated by a common
mechanism.
*Lecture presented at the European Molecular Liquids
Group (EMLG) Annual Meeting on the Physical Chemistry of Liquids: Novel
Approaches to the Structure, Dynamics of Liquids: Experiments, Theories,
and Simulation,Rhodes, Greece, 7-15 September 2002. Other presentations
are published in this issue, pp. 1-261.
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