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
N1 - Funding Information:
This work was supported by a grant-in-aid for Scientific Research on Innovative Areas from the Ministry of Education, Culture, Sports, Science and Technology (Grant Nos. 20118002, 20118007, and 20118008), grants-in-aid for Scientific Research from the Japan Society for the Promotion of Science (Grant Nos. 18540407, 21300111, and 23651202), the Nanoscience Program, the Computational Materials Science Initiative, and the Strategic Programs for Innovative Research of the Next-Generation Supercomputing Project, and the Joint Studies Program of the Institute for Molecular Science. The computations were performed in part using the Research Center for Computational Science, Okazaki, Japan.
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.
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U2 - 10.1063/1.4769972
DO - 10.1063/1.4769972
M3 - Article
C2 - 23249012
AN - SCOPUS:84871244521
VL - 137
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 22
M1 - 224502
ER -