The density of water in carbon nanotubes

Research output: Contribution to journalArticlepeer-review

Authors

Colleges, School and Institutes

External organisations

  • University of Cyprus

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.

Details

Original languageEnglish
Pages (from-to)2047-2056
Number of pages10
JournalChemical Engineering Science
Volume63
Issue number8
Publication statusPublished - Apr 2008

Keywords

  • Carbon nanotubes, Confined water, Molecular dynamics