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    BET surface area of carbonaceous adsorbents—Verification using geometric considerations and GCMC simulations on virtual porous carbon models

    Access Status
    Fulltext not available
    Authors
    Gauden, P.
    Terzyk, A.
    Furmaniak, S.
    Harris, P.
    Kowalczyk, Poitr
    Date
    2010
    Type
    Journal Article
    
    Metadata
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    Citation
    Gauden, P. and Terzyk, A. and Furmaniak, S. and Harris, P. and Kowalczyk, P. 2010. BET surface area of carbonaceous adsorbents—Verification using geometric considerations and GCMC simulations on virtual porous carbon models. Applied Surface Science. 256 (17): pp. 5204-5209.
    Source Title
    Applied Surface Science
    DOI
    10.1016/j.apsusc.2009.12.097
    ISSN
    01694332
    URI
    http://hdl.handle.net/20.500.11937/2937
    Collection
    • Curtin Research Publications
    Abstract

    The applicability of BET model for calculation of surface area of activated carbons is checked by usingmolecular simulations. By calculation of geometric surface areas for the simple model carbon slit-likepore with the increasing width, and by comparison of the obtained values with those for the same systems from the VEGA ZZ package (adsorbate-accessible molecular surface), it is shown that the latter methods provide correct values. For the system where a monolayer inside a pore is created the ASA approach (GCMC, Ar, T = 87 K) underestimates the value of surface area for micropores (especially, where only one layer is observed and/or two layers of adsorbed Ar are formed). Therefore, we propose the modification of this method based on searching the relationship between the pore diameter and the number of layers in a pore. Finally BET; original andmodified ASA; and A, B and C-point surface areas are calculated for a series of virtual porous carbons using simulated Ar adsorption isotherms (GCMC and T = 87 K). The comparison of results shows that the BET method underestimates and not, as it was usually postulated, overestimates the surface areas of microporous carbons.

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