Formation of ice nanotube with hydrophobic guests inside carbon nanotube

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

A composite ice nanotube inside a carbon nanotube has been explored by molecular-dynamics and grand canonical Monte Carlo simulations. It is made from an octagonal ice nanotube whose hollow space contains hydrophobic guest molecules such as neon, argon, and methane. It is shown that the attractive interaction of the guest molecules stabilizes the ice nanotube. The guest occupancy of the hollow space is calculated by the same method as applied to clathrate hydrates.

Original languageEnglish
Article number094706
JournalThe Journal of Chemical Physics
Volume123
Issue number9
DOIs
Publication statusPublished - Sep 1 2005

Fingerprint

Carbon Nanotubes
Ice
Nanotubes
nanotubes
ice
carbon nanotubes
hollow
Neon
Molecules
Argon
clathrates
Methane
Hydrates
neon
hydrates
Molecular dynamics
molecules
methane
argon
molecular dynamics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Formation of ice nanotube with hydrophobic guests inside carbon nanotube. / Tanaka, Hideki; Koga, Kenichiro.

In: The Journal of Chemical Physics, Vol. 123, No. 9, 094706, 01.09.2005.

Research output: Contribution to journalArticle

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