The density of water in carbon nanotubes

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  • University of Cyprus


In this paper, the density of water confined in carbon nanotubes of different sizes and chirality is calculated. Molecular dynamics is used to simulate the spontaneous filling of the nanotube with water molecules coming from an external bath. Three H2 O filling modes are found and a correlation, which relates the density with the nanotube diameter, is proposed.


Original languageEnglish
Pages (from-to)2047-2056
Number of pages10
JournalChemical Engineering Science
Issue number8
Publication statusPublished - Apr 2008


  • Carbon nanotubes, Confined water, Molecular dynamics