F.5
Log Number: 13
Abstract Submitted to the NT-99-Logo NANOTUBE-99 Workshop:

Modelling of carbon network adsorption reactivity

F. Darkrim (1), A. Aoufi (1), P. Malbrunot (1) and D. Levesque (2)

(1)CNRS-LIMHP Universite Paris 13 Villetaneuse (France), (2) LPT Universite Paris 11 Orsay (France)
Contact e-mail: darkrim@limhp6.univ-paris13.fr

Considerable amount of papers devoted to hydrogen storage by adsorption in carbon nanotube networks have recently been published. Our work is focused on the modelling of hydrogen adsorption in single walled carbon nanotubes by taking into account the quantum correction for gas-gas and gas-solid interaction or not (classical case). We have computed Monte Carlo numerical simulations of gas adsorption in different nanotube lattices (square and hexagonal). The diameters of the tubes and the distances between the tubes are allowed to vary in the range [0-2] nm at room temperature and high pressure.

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