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ID 57360
フルテキストURL
著者
Yagasaki, Takuma Research Institute for Interdisciplinary Science, Okayama University ORCID Kaken ID publons researchmap
Yamasaki, Masaru Graduate School of Natural Science and Technology, Okayama University
Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID Kaken ID researchmap
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID Kaken ID publons researchmap
抄録
Confinement in nanoscaled porous materials changes properties of water significantly. We perform molecular dynamics simulations of water in a model of a nanobrush made of carbon nanotubes. Water crystallizes into a novel structure called dtc in the nanobrush when (6,6) nanotubes are located in a triangular arrangement, and there is a space that can accommodate two layers of water molecules between the tubes. The mechanism of the solidification is analogous to formation of gas hydrates: hydrophobic molecules promote crystallization when their arrangement matches ordered structures of water. This is supported by a statistical mechanical calculation, which bears resemblance to the theory on the clathrate hydrate stability.
備考
This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Takuma Yagasaki et. al. Formation of hot ice caused by carbon nanobrushes. The Journal of Chemical Physics 151(6), 064702 (2019)(citation of published article) and may be found at https://doi.org/10.1063/1.5111843.
発行日
2019-08-08
出版物タイトル
The Journal of Chemical Physics
151巻
6号
出版者
American Institute of Physics
開始ページ
064702
ISSN
00219606
NCID
AA00694991
資料タイプ
学術雑誌論文
言語
English
OAI-PMH Set
岡山大学
著作権者
Copyright (2019) Author(s)
論文のバージョン
publisher
DOI
関連URL
isVersionOf https://doi.org/10.1063/1.5111843