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Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion.

Authors
  • Kubota, Yoji
  • Yoshimori, Akira
  • Matubayasi, Nobuyuki
  • Suzuki, Makoto
  • Akiyama, Ryo
Type
Published Article
Journal
The Journal of Chemical Physics
Publisher
American Institute of Physics
Publication Date
Dec 14, 2012
Volume
137
Issue
22
Pages
224502–224502
Identifiers
DOI: 10.1063/1.4769972
PMID: 23249012
Source
Medline
License
Unknown

Abstract

We have calculated the dielectric relaxation of water around an ion using molecular dynamics simulations. The collective motion of water near the ion showed fast relaxation, whereas the reorientational motion of individual water molecules does not have the fast component. The ratio of the relaxation time for the fast component and the bulk water was consistent with the experimental results, known as hyper-mobile water, for alkali halide aqueous solution.

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