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

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

doi:10.1063/1.4769972

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

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

ENG - Materials Processing

Research output: Contribution to journal › Article › peer-review

20 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 language	English
Article number	224502
Journal	Journal of Chemical Physics
Volume	137
Issue number	22
DOIs	https://doi.org/10.1063/1.4769972
Publication status	Published - 2012 Dec 14

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1063/1.4769972

Cite this

@article{377fb5efafec40f5b050de2df3dacd6d,

title = "Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion",

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.",

author = "Yoji Kubota and Akira Yoshimori and Nobuyuki Matubayasi and Makoto Suzuki and Ryo Akiyama",

year = "2012",

month = dec,

day = "14",

doi = "10.1063/1.4769972",

language = "English",

volume = "137",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "22",

}

TY - JOUR

T1 - Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion

AU - Kubota, Yoji

AU - Yoshimori, Akira

AU - Matubayasi, Nobuyuki

AU - Suzuki, Makoto

AU - Akiyama, Ryo

PY - 2012/12/14

Y1 - 2012/12/14

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84871244521&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84871244521&partnerID=8YFLogxK

U2 - 10.1063/1.4769972

DO - 10.1063/1.4769972

M3 - Article

C2 - 23249012

AN - SCOPUS:84871244521

SN - 0021-9606

VL - 137

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 22

M1 - 224502

ER -

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

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this