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

Yoji Kubota, Akira Yoshimori, Nobuyuki Matubayasi, Makoto Suzuki, Ryo Akiyama

Research output: Contribution to journalArticle

18 Citations (Scopus)

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.

Original languageEnglish
Article number224502
JournalJournal of Chemical Physics
Volume137
Issue number22
DOIs
Publication statusPublished - Dec 14 2012

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Dielectric relaxation
molecular ions
Molecular dynamics
Ions
molecular dynamics
Water
water
Alkali halides
alkali halides
Relaxation time
ions
relaxation time
aqueous solutions
Molecules
Computer simulation
molecules
simulation

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion. / Kubota, Yoji; Yoshimori, Akira; Matubayasi, Nobuyuki; Suzuki, Makoto; Akiyama, Ryo.

In: Journal of Chemical Physics, Vol. 137, No. 22, 224502, 14.12.2012.

Research output: Contribution to journalArticle

Kubota, Yoji ; Yoshimori, Akira ; Matubayasi, Nobuyuki ; Suzuki, Makoto ; Akiyama, Ryo. / Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion. In: Journal of Chemical Physics. 2012 ; Vol. 137, No. 22.
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