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Decoupling between Solvent Viscosity and Diffusion of a Small Solute Induced by Self-Motion
http://hdl.handle.net/2237/0002002049
http://hdl.handle.net/2237/000200204934cb728e-4547-48ca-959d-c20c41cace28
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
sigmah2.pdf (652 KB)
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| Item type | itemtype_ver1(1) | |||||||
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| 公開日 | 2022-02-08 | |||||||
| タイトル | ||||||||
| タイトル | Decoupling between Solvent Viscosity and Diffusion of a Small Solute Induced by Self-Motion | |||||||
| 言語 | en | |||||||
| 著者 |
Yamaguchi, Tsuyoshi
× Yamaguchi, Tsuyoshi
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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 | This document is the Accepted Manuscript version of a Published Work that appeared in final form in [The Journal of Physical Chemistry Letters], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-BX46GQXAIKX8TKFJQE4A].” | |||||||
| 内容記述 | ||||||||
| 内容記述タイプ | Abstract | |||||||
| 内容記述 | The self-diffusion of a monatomic solute in liquid 1-octanol and n-tetradecane was investigated by means of a molecular dynamics simulation. The diffusion coefficient of a solute as small as argon is much greater than that obtained from the hydrodynamic-based Stokes–Einstein (SE) relation, as was reported experimentally. A relaxation of the memory function of a freely diffusing solute is much faster than that of the autocorrelation function of a shear stress. However, the SE behavior is recovered when the solute is spatially fixed, and the diffusion coefficient is calculated from the force–force autocorrelation function. A relaxation of the autocorrelation function of the force also follows that of shear stress. The fast diffusion of a small solute is thus ascribed to the decoupling between the structural relaxation of solvent and the solute diffusion induced by the self-motion of the solute. | |||||||
| 言語 | en | |||||||
| 出版者 | ||||||||
| 出版者 | ACS Publications | |||||||
| 言語 | en | |||||||
| 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 | AM | |||||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||
| 関連情報 | ||||||||
| 関連タイプ | isVersionOf | |||||||
| 識別子タイプ | DOI | |||||||
| 関連識別子 | https://doi.org/10.1021/acs.jpclett.1c02219 | |||||||
| 収録物識別子 | ||||||||
| 収録物識別子タイプ | EISSN | |||||||
| 収録物識別子 | 1948-7185 | |||||||
| 書誌情報 |
en : The Journal of Physical Chemistry Letters 巻 12, 号 32, p. 7696-7700, 発行日 2021-08-19 |
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| ファイル公開日 | ||||||||
| 日付 | 2022-08-19 | |||||||
| 日付タイプ | Available | |||||||
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Yamaguchi, Tsuyoshi, 2021, Decoupling between Solvent Viscosity and Diffusion of a Small Solute Induced by Self-Motion: ACS Publications, 7696–7700 p.
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