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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/2237/7064a344fade-03c3-4320-9a12-d286c53d0cbe
名前 / ファイル | ライセンス | アクション |
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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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.× Nagao, A.× Matsuoka, T.× Koda, S. |
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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 |
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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 |