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

J Chem Phys. 2012 Dec 14;137(22):224502. doi: 10.1063/1.4769972.

Authors

Yoji Kubota¹, Akira Yoshimori, Nobuyuki Matubayasi, Makoto Suzuki, Ryo Akiyama

Affiliation

¹ Department of Chemistry, Kyushu University, Fukuoka 812-8581, Japan.

PMID: 23249012
DOI: 10.1063/1.4769972

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.