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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 科研費研究者番号
Yamasaki, Masaru Graduate School of Natural Science and Technology, Okayama University
Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
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.
発行日
2019-08-08
出版物タイトル
The Journal of Chemical Physics
151巻
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
author
DOI
関連URL
isVersionOf https://doi.org/10.1063/1.5111843
ライセンス
https://creativecommons.org/licenses/by/4.0/