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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

A theoretical study on the anomalous pressure dependence of the transport properties of ionic liquids: Comparison among lithium bromide, silica, and water

http://hdl.handle.net/2237/7064
http://hdl.handle.net/2237/7064
a344fade-03c3-4320-9a12-d286c53d0cbe
名前 / ファイル ライセンス アクション
JChemPhys_119_11306.pdf JChemPhys_119_11306.pdf (167.0 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 A theoretical study on the anomalous pressure dependence of the transport properties of ionic liquids: Comparison among lithium bromide, silica, and water
言語 en
著者 Yamaguchi, T.

× Yamaguchi, T.

WEKO 14061

en Yamaguchi, T.

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Nagao, A.

× Nagao, A.

WEKO 14062

en Nagao, A.

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Matsuoka, T.

× Matsuoka, T.

WEKO 14063

en Matsuoka, T.

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Koda, S.

× Koda, S.

WEKO 14064

en Koda, S.

Search repository
アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
権利
言語 en
権利情報 Copyright (2003) 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 transport coefficients of three ionic liquids, lithium bromide (LiBr), rubidium bromide (RbBr), and molten silica (SiO_2) are calculated by the mixture mode-coupling theory. The static partial structure factors required are obtained from the interionic interaction potential by the Ornstein– Zernike/hypernetted-chain integral equation. The anomalous pressure dependence of the transport properties, the increase in the molar ionic conductivity of LiBr and the fluidity of SiO_2 in the low-pressure region, is reproduced qualitatively well by our theoretical calculation. The calculated results are analyzed in the similar way as that for water performed by Yamaguchi et al. [T. Yamaguchi, S.-H. Chong, and F. Hirata, J. Chem. Phys. 119, 1021 (2003)], and we found that the friction on the electric current caused by the coupling between the charge- and number-density modes is effective to the increase of the transport coefficient with pressure, as is the case of water. Comparing the results for LiBr and RbBr, the contribution of the electrostatic friction is smaller for RbBr, which leads to the normal pressure dependence of its molar ionic conductivity. The negative values of the Nernst–Einstein deviation parameter for the ionic conductivity of LiBr and SiO_2 reported by previous MD simulations are also explained consistently. Furthermore, it is shown that the mechanism for the anomalous pressure dependence of the fluidity of molten SiO_2 demonstrated in this work is consistent with a conventional picture that the five-coordinated silicon atom is important to enhance the ionic mobility.
言語 en
内容記述タイプ Abstract
出版者
言語 en
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
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1063/1.1622652
ISSN
収録物識別子タイプ PISSN
収録物識別子 0021-9606
書誌情報 en : The Journal of Chemical Physics

巻 119, 号 21, p. 11306-11317, 発行日 2003-12-01
フォーマット
application/pdf
著者版フラグ
値 publisher
URI
識別子 http://hdl.handle.net/2237/7064
識別子タイプ HDL
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