The density of water in carbon nanotubes

Alessio Alexiadis, Stavros Kassinos

Research output: Contribution to journalArticlepeer-review

78 Citations (Scopus)

Abstract

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
Volume63
Issue number8
DOIs
Publication statusPublished - Apr 2008

Keywords

  • Carbon nanotubes
  • Confined water
  • Molecular dynamics

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering
  • Applied Mathematics

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