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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

Shear Thinning and Nonlinear Structural Deformation of Ionic Liquids with Long Alkyl Chains Studied by Molecular Dynamics Simulation

http://hdl.handle.net/2237/00030877
http://hdl.handle.net/2237/00030877
b992b240-1dc7-408d-b66d-92ba4c0f2bdb
名前 / ファイル ライセンス アクション
ILthin2.pdf ILthin2 (401.8 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2019-11-14
タイトル
タイトル Shear Thinning and Nonlinear Structural Deformation of Ionic Liquids with Long Alkyl Chains Studied by Molecular Dynamics Simulation
言語 en
著者 Yamaguchi, Tsuyoshi

× Yamaguchi, Tsuyoshi

WEKO 94164

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 B], 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-8Na4taSviw5JTGVhgRbv].”
抄録
内容記述 Nonequilibrium molecular dynamics (MD) simulation was performed on imidazolium-based ionic liquids of two different alkyl chain lengths, and shear-rate-dependent viscosity was evaluated. Compared with the frequency-dependent linear shear viscosity determined by equilibrium MD simulation, shear thinning occurs at the shear rate several times lower than that predicted by the Cox–Merz rule. The deformation of the structure factor was also evaluated as the function of shear rate. The onset of shear thinning corresponds to that of the nonlinearity in the deformation of the charge-alternation mode in both ionic liquids, which is in harmony with the result of our previous work that the shear relaxation of ionic liquids is mainly coupled to the structural relaxation of the charge-alternation mode. In the presence of the polar–nonpolar domain structure characteristic to ionic liquids with a long alkyl chain, in particular, the nonlinearity in the domain mode begins within the Newtonian regime of shear viscosity.
言語 en
内容記述タイプ Abstract
内容記述
内容記述 ファイル公開:2020-07-25
言語 ja
内容記述タイプ Other
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
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1021/acs.jpcb.9b03557
ISSN(print)
収録物識別子タイプ PISSN
収録物識別子 1520-6106
書誌情報 en : The Journal of Physical Chemistry B

巻 123, 号 29, p. 6260-6265, 発行日 2019-07-25
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