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  1. B200 工学部/工学研究科
  2. B200a 雑誌掲載論文
  3. 学術雑誌

Mode-coupling study on the dynamics of hydrophobic hydration

http://hdl.handle.net/2237/7065
63bea79c-f2df-490b-acda-c8140ffffdaa
名前 / ファイル ライセンス アクション
JChemPhys_120_7590.pdf JChemPhys_120_7590.pdf (160.3 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2006-10-25
タイトル
タイトル Mode-coupling study on the dynamics of hydrophobic hydration
著者 Yamaguchi, T.

× Yamaguchi, T.

WEKO 14065

Yamaguchi, T.

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Matsuoka, T.

× Matsuoka, T.

WEKO 14066

Matsuoka, T.

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Koda, S.

× Koda, S.

WEKO 14067

Koda, S.

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権利
権利情報 Copyright (2004) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
抄録
内容記述 The molecular motion of water in water–hydrophobic solute mixtures was investigated by the mode-coupling theory for molecular liquids based on the interaction-site description. When the model Lennard-Jones solute was mixed with water, both the translational and reorientational motions of solvent water become slower, in harmony with various experiments and molecular dynamics simulations. We compared the mechanism of the slowing down with that of the pressure dependence of the molecular motion of neat water [T. Yamaguchi, S.-H. Chong, and F. Hirata, J. Chem. Phys. 119, 1021 (2003)]. We found that the decrease in the solvent mobility caused by the solute can essentially be elucidated by the same mechanism: That is, the fluctuation of the number density of solvent due to the cavity formation by the solute strengthens the friction on the collective polarization through the dielectric friction mechanism: We also employed the solute molecule that is the same as solvent water except for the amount of partial charges, in order to alter the strength of the solute–solvent interaction continuously. The mobility of the solvent water was reduced both by the hydrophobic and strongly hydrophilic solutes, but it was enhanced in the intermediate case. Such a behavior was discussed in connection with the concept of positive and negative hydrations.
内容記述タイプ Abstract
出版者
出版者 American Institute of Physics
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
DOI
関連識別子
識別子タイプ DOI
関連識別子 http://dx.doi.org/10.1063/1.1687319
ISSN
収録物識別子タイプ ISSN
収録物識別子 0021-9606
書誌情報 The Journal of Chemical Physics

巻 120, 号 16, p. 7590-7601, 発行日 2004-04-22
フォーマット
application/pdf
著者版フラグ
値 publisher
URI
識別子 http://hdl.handle.net/2237/7065
識別子タイプ HDL
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