Formation of ice nanotube with hydrophobic guests inside carbon nanotube

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31 Citations (Scopus)


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
JournalJournal of Chemical Physics
Issue number9
Publication statusPublished - Sep 1 2005

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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