Filtering carbon dioxide through carbon nanotubes

D. Mantzalis, N. Asproulis, D. Drikakis

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

Layering phenomena of carbon dioxide transported through carbon nanotubes are investigated through molecular dynamics simulations. The layering formation is examined for carbon nanotubes spanning from (8, 8) to (20, 20) subjected to pressures and temperatures that range from 1 to 20 bar and 300 to 400 K, respectively. Well defined layers are developed around the internal and external surface of the nanotubes for all the examined cases. It is shown that the number of layers along with their relative strength varies as a function of the nanotube’s diameter, size, carbon dioxide density and gas-structure interactions.
Original languageEnglish
Pages (from-to)81-85
Number of pages5
JournalChemical Physics Letters
Volume506
Issue number1-3
DOIs
Publication statusPublished - 11 Apr 2011

Keywords

  • layering phenomena
  • carbon nanotubes
  • molecular dynamics simulations

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