{"created":"2023-07-27T06:26:56.793072+00:00","id":10881,"links":{},"metadata":{"_buckets":{"deposit":"df3faad4-ede9-456d-b024-56e515d138b9"},"_deposit":{"created_by":3,"id":"10881","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"10881"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00010881","sets":["934:935:937"]},"author_link":["2695","11285","2396","10913","312","215","2824"],"item_4_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2017-11-22","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"17","bibliographicPageEnd":"1435","bibliographicPageStart":"1430","bibliographicVolumeNumber":"43","bibliographic_titles":[{"bibliographic_title":"Molecular Simulation"}]}]},"item_4_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"東, 秀憲"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"汲田, 幹夫"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"瀬戸, 章文"}],"nameIdentifiers":[{},{}]},{"creatorNames":[{"creatorName":"大谷, 吉生"}],"nameIdentifiers":[{},{}]}]},"item_4_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We performed a molecular dynamics simulation to calculate the self-diffusion coefficients of 1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide and water in a water–ionic liquid mixture. We then compared the simulated self-diffusion coefficients of cation, anion and water molecules with experimental data and with simulated data from the literature. Although the simulation overestimated the self-diffusion coefficients of ions, the simulated results qualitatively reproduced the enhancement of the self-diffusion coefficients of water as the water molar fraction increased. We also calculated the radial distribution functions to investigate the solution structure, i.e. the clustering of water molecules. The clustering of water in ionic liquid was found to play an important role in the enhancement of the diffusion of water molecules in the ionic liquid. © 2017 Informa UK Limited, trading as Taylor & Francis Group","subitem_description_type":"Abstract"}]},"item_4_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"Embargo Period 12 months","subitem_description_type":"Other"}]},"item_4_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00010868","subitem_identifier_reg_type":"JaLC"}]},"item_4_publisher_17":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Taylor and Francis Ltd."}]},"item_4_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1080/08927022.2017.1319055","subitem_relation_type_select":"DOI"}}]},"item_4_source_id_11":{"attribute_name":"NCID","attribute_value_mlt":[{"subitem_source_identifier":"AA10720271","subitem_source_identifier_type":"NCID"}]},"item_4_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0892-7022","subitem_source_identifier_type":"ISSN"}]},"item_4_version_type_25":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Higashi, Hidenori"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"Kumita, Mikiko"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"Seto, Takafumi"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"Otani, Yoshio"}],"nameIdentifiers":[{},{},{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2018-11-23"}],"displaytype":"detail","filename":"SC-PR-HIGASHI-H-1430.pdf","filesize":[{"value":"471.9 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"SC-PR-HIGASHI-H-1430.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/10881/files/SC-PR-HIGASHI-H-1430.pdf"},"version_id":"b9cb1633-92de-4fd3-bd0f-d0c1eb3d281a"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Calculation of self-diffusion coefficients of the [BMIM][TFSA]/water system by molecular dynamics simulation","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Calculation of self-diffusion coefficients of the [BMIM][TFSA]/water system by molecular dynamics simulation"}]},"item_type_id":"4","owner":"3","path":["937"],"pubdate":{"attribute_name":"公開日","attribute_value":"2017-09-21"},"publish_date":"2017-09-21","publish_status":"0","recid":"10881","relation_version_is_last":true,"title":["Calculation of self-diffusion coefficients of the [BMIM][TFSA]/water system by molecular dynamics simulation"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-07-27T09:16:57.492635+00:00"}