A GRAND CANONICAL MONTE CARLO SIMULATION STUDY OF CARBON STRUCTURAL AND ADSORPTION PROPERTIES OF INZEOLITE TEMPLATED CARBON NANOSTRUCTURES

ROUSSEL, TH. J.; BICHARA, C.; PELLENQ, R. J. M.

doi:10.1007/1-4020-4574-3_15

TH. J. ROUSSEL³,
C. BICHARA³ &
R. J. M. PELLENQ³

Part of the book series: NATO Science Series II: Mathematics, Physics and Chemistry ((NAII,volume 222))

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Abstract

We used the Grand-Canonical Monte-Carlo technique (GCMC) to simulate the vapor deposition of carbon in the porosity of various zeolitic nanopores (Silicalite, AlPO4-5, faujasite). The carbon-carbon interactions were described within a Tight-Binding formalism (TB) and the carbon-matrix interactions were assumed to be physisorption. Depending on the pore size and topology, various carbon structures can be obtained.

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Authors and Affiliations

Centre de Recherche sur la Matiére Condensèe et Nanosciences – CNRS, Campus de Luminy, Marseille CEDEX 9, 13288, France
TH. J. ROUSSEL, C. BICHARA & R. J. M. PELLENQ

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TH. J. ROUSSEL
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C. BICHARA
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R. J. M. PELLENQ
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Editors and Affiliations

Faculty of Physics, University of Sofia, Bulgaria
Valentin N. Popov
Département de Physique, Facultés Universitaires Notre-Dame de la Paix, Namur, Belgium
Philippe Lambin

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ROUSSEL, T., BICHARA, C., PELLENQ, R. (2006). A GRAND CANONICAL MONTE CARLO SIMULATION STUDY OF CARBON STRUCTURAL AND ADSORPTION PROPERTIES OF INZEOLITE TEMPLATED CARBON NANOSTRUCTURES. In: Popov, V.N., Lambin, P. (eds) Carbon Nanotubes. NATO Science Series II: Mathematics, Physics and Chemistry, vol 222. Springer, Dordrecht. https://doi.org/10.1007/1-4020-4574-3_15

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DOI: https://doi.org/10.1007/1-4020-4574-3_15
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-4572-1
Online ISBN: 978-1-4020-4574-5
eBook Packages: Chemistry and Materials ScienceChemistry and Material Science (R0)

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