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ID 57360
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Author
Yagasaki, Takuma Research Institute for Interdisciplinary Science, Okayama University ORCID Kakenhi
Yamasaki, Masaru Graduate School of Natural Science and Technology, Okayama University
Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID Kakenhi
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID Kakenhi
Abstract
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.
Published Date
2019-08-08
Publication Title
The Journal of Chemical Physics
Volume
volume151
Publisher
American Institute of Physics
Start Page
064702
ISSN
00219606
NCID
AA00694991
Content Type
Journal Article
language
英語
OAI-PMH Set
岡山大学
Copyright Holders
Copyright (2019) Author(s)
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author
DOI
Related Url
isVersionOf https://doi.org/10.1063/1.5111843
License
https://creativecommons.org/licenses/by/4.0/