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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

Decoupling between Solvent Viscosity and Diffusion of a Small Solute Induced by Self-Motion

http://hdl.handle.net/2237/0002002049
http://hdl.handle.net/2237/0002002049
34cb728e-4547-48ca-959d-c20c41cace28
名前 / ファイル ライセンス アクション
sigmah2.pdf sigmah2.pdf (652 KB)
Item type itemtype_ver1(1)
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

en Yamaguchi, Tsuyoshi

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 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 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
内容記述タイプ Abstract
出版者
言語 en
出版者 ACS Publications
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
ファイル公開日
日付 2022-08-19
日付タイプ Available
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