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    The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm

    Access Status
    Fulltext not available
    Authors
    Furmaniak, S.
    Terzyk, A.
    Gauden, P.
    Harris, P.
    Kowalczyk, Poitr
    Date
    2010
    Type
    Journal Article
    
    Metadata
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    Citation
    Furmaniak, S. and Terzyk, A. and Gauden, P. and Harris, P. and Kowalczyk, P. 2010. The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm. Journal of Physics: Condensed Matter. 22 (8).
    Source Title
    Journal of Physics: Condensed Matter
    Additional URLs
    http://iopscience.iop.org/0953-8984/22/8/085003
    ISSN
    0953-8984
    URI
    http://hdl.handle.net/20.500.11937/43276
    Collection
    • Curtin Research Publications
    Abstract

    We present the results of a systematic study of the influence of carbon surface oxidation on Dubinin–Astakhov isotherm parameters obtained from the fitting of CO2 adsorption data. Using GCMC simulations of adsorption on realistic VPC models differing in porosity and containing the most frequently occurring carbon surface functionalities (carboxyls, hydroxyls and carbonyls) and their mixtures, it is concluded that the maximum adsorption calculated from the DA model is not strongly affected by the presence of oxygen groups. Unfortunately, the same cannot be said of the remaining two parameters of this model i.e. the heterogeneity parameter (n) and the characteristic energy of adsorption (E0). Since from the latter the pore diameters of carbons are usually calculated, by inverse-type relationships, it is concluded that they are questionable for carbons containing surface oxides, especially carboxyls.

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