²H-NMR study of molecular reorientation of D₂O confined into the slit-shaped micropores of activated carbon fiber

Asada, Takumi; Iwatsuki, Rin; Iiyama, Taku; Ueda, Takahiro

doi:https://doi.org/10.1007/s10450-023-00433-8

²H-NMR study of molecular reorientation of D₂O confined into the slit-shaped micropores of activated carbon fiber

Asada, Takumi; Iwatsuki, Rin; Iiyama, Taku et al.

Adsorption, 2024, 30, 95-106

アクセス数:357件（2025-09-13 12:20 集計）

固定URL: https://hdl.handle.net/11094/93548

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タイトル	²H-NMR study of molecular reorientation of D₂O confined into the slit-shaped micropores of activated carbon fiber
著者	著者名 Asada, Takumi
	著者名 Iwatsuki, Rin
	NRID 1000030313828 1000030313828 著者名 Iiyama, Taku
	NRID 1000070294155 1000070294155 researchmap permalink Takahiro_ueda Takahiro_ueda Scopus Author ID 7403982331 7403982331 著者名 Ueda, Takahiro
キーワード等	Hydrogen bond
	Micropore filling
	NMR
	Reorientation
	Spin–lattice relaxation time
	Water adsorption
内容	The version of record of this article, first published in Adsorption, is available online at Publisher’s website: https://doi.org/10.1007/s10450-023-00433-8
抄録	Herein, the reorientation of heavy water (D2O) molecules adsorbed in the slit-type micropores of activated carbon fibers is investigated using the 2H-nuclear magnetic resonance technique. The rotational correlation times (τ c) of D2O are evaluated from the 2H spin–lattice relaxation time (T 1). The obtained τ c values are significantly influenced by both the pore-filling ratio (ϕ) and temperature, thus suggesting that the adsorption of D2O into activated carbon fibers (ACF) effectively influences the reorientation of the D2O molecules within the ACF. The reorientational motion of D2O is examined by the extended jump model. According to this model, the nanoconfinement effect, which results from the reduction in free volume around D2O, is attributed to the transition-state excluded volume effect, whereas the effect of hydrogen bonding between the D2O and surface functional groups is attributed to the transition-state hydrogen bonding effects. Furthermore, the dependence of τ c on ϕ is explained by the chemical exchange between the pore surface adsorption sites and the central space of the pore. Thus, the dynamic behavior of adsorbed D2O molecules reveals the mechanism of D2O adsorption into the ACF micropores.
出版者	Springer
収録物名	Adsorption
巻(号)	30
ページ	95-106
刊行年月	2024-01-05
言語	英語
ハンドルURL	https://hdl.handle.net/11094/93548
PISSN	09295607
eISSN	15728757
関連情報 (isIdenticalTo)	DOI (出版社版) https://doi.org/10.1007/s10450-023-00433-8
アクセス権	open access
権利情報	This article is licensed under a Creative Commons Attribution 4.0 International License.
出版タイプ	Version of Record
カテゴリ	学術雑誌論文 Journal Article

資源タイプ	学術雑誌論文
ローカル資源タイプ	学術雑誌論文
DCMI資源タイプ	text
DCTERMS.bibliographicCitation	Adsorption. 2024, 30, p. 95-106
DC.title	²H-NMR study of molecular reorientation of D₂O confined into the slit-shaped micropores of activated carbon fiber
DC.creator	Asada, Takumi
	Iwatsuki, Rin
	Iiyama, Taku
	Ueda, Takahiro
DC.publisher	Springer
DC.language' scheme='DCTERMS.RFC1766	英語
DC.type' scheme='DCTERMS.DCMIType	text
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2024-01-05
DC.identifier	https://doi.org/10.1007/s10450-023-00433-8
DC.subject	Hydrogen bond
	Micropore filling
	NMR
	Reorientation
	Spin–lattice relaxation time
	Water adsorption
DC.description	The version of record of this article, first published in Adsorption, is available online at Publisher’s website: https://doi.org/10.1007/s10450-023-00433-8
DCTERMS.abstract	Herein, the reorientation of heavy water (D2O) molecules adsorbed in the slit-type micropores of activated carbon fibers is investigated using the 2H-nuclear magnetic resonance technique. The rotational correlation times (τ c) of D2O are evaluated from the 2H spin–lattice relaxation time (T 1). The obtained τ c values are significantly influenced by both the pore-filling ratio (ϕ) and temperature, thus suggesting that the adsorption of D2O into activated carbon fibers (ACF) effectively influences the reorientation of the D2O molecules within the ACF. The reorientational motion of D2O is examined by the extended jump model. According to this model, the nanoconfinement effect, which results from the reduction in free volume around D2O, is attributed to the transition-state excluded volume effect, whereas the effect of hydrogen bonding between the D2O and surface functional groups is attributed to the transition-state hydrogen bonding effects. Furthermore, the dependence of τ c on ϕ is explained by the chemical exchange between the pore surface adsorption sites and the central space of the pore. Thus, the dynamic behavior of adsorbed D2O molecules reveals the mechanism of D2O adsorption into the ACF micropores.
DC.rights	This article is licensed under a Creative Commons Attribution 4.0 International License.
DC.format	93548
citation_title	²H-NMR study of molecular reorientation of D₂O confined into the slit-shaped micropores of activated carbon fiber
citation_author	Asada, Takumi
	Iwatsuki, Rin
	Iiyama, Taku
	Ueda, Takahiro
citation_publisher	Springer
citation_language	英語
citation_date	2024-01-05
citation_journal_title	Adsorption
citation_volume	30
citation_firstpage	95
citation_lastpage	106
citation_doi	https://doi.org/10.1007/s10450-023-00433-8
citation_public_url	https://hdl.handle.net/11094/93548

²H-NMR study of molecular reorientation of D₂O confined into the slit-shaped micropores of activated carbon fiber

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