Helium adsorption in single wall carbon nanotubes—grand canonical Monte Carlo study

Lucyna Firlej; Bogdan Kuchta

doi:10.1016/j.colsurfa.2004.04.029

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Helium adsorption in single wall carbon nanotubes—grand canonical Monte Carlo study

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Helium adsorption in single wall carbon nanotubes—grand canonical Monte Carlo study

Lucyna Firlej et Bogdan Kuchta

Colloids and surfaces. A, Physicochemical and engineering aspects, Vol.241(1), pp.149-154

14/07/2004

DOI: https://doi.org/10.1016/j.colsurfa.2004.04.029

Résumé

Adsorption

Carbon nanotubes

GCMC simulations

Porous materials

Model calculations of He adsorption at T=4.5 K in an isolated open-ended (12,12) armchair carbon nanotube are presented. The influence of heterogeneity of the tubes wall on adsorption parameters (storage capacity, energy of adsorption and structure of the adsorbed layers) is studied, by comparing the results of grand canonical Monte Carlo (GCMC) simulations for smooth and rough wall models. When the potential used takes into account the corrugation of nanotube surface, He monolayer incommensurate with the sublying graphite sheet is observed and different metastable structures can be stabilized on adsorption and desorption.

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Détails

Titre: Helium adsorption in single wall carbon nanotubes—grand canonical Monte Carlo study
Créateurs - sans rôle: Lucyna Firlej - Laboratoire de Mécanique et Génie Civil
Bogdan Kuchta - Laboratoire des Matériaux Divises, Revêtement, Electrocéramiques (MADIREL), Universite de Provence, Centre de Saint-Jérôme, 13397 Marseille, France
Détails de publication: Colloids and surfaces. A, Physicochemical and engineering aspects, Vol.241(1), pp.149-154
Éditeur: Elsevier B.V
Nombre de pages: 6
Identifiants: 99147438909311
Unité académique: Laboratoire Charles Coulomb - L2C
Langue: English
Type de ressource: Journal article