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    Simulating the changes in carbon structure during the burn-off process

    Access Status
    Fulltext not available
    Authors
    Furmaniak, S.
    Terzyk, A.
    Gauden, P.
    Marks, Nigel
    Powles, R.
    Kowalczyk, Piotr
    Date
    2011
    Type
    Journal Article
    
    Metadata
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    Citation
    Furmaniak, Sylwester and Terzyk, Artur P. and Gauden, Piotr A. and Marks, Nigel A. and Powles, Rebecca C. and Kowalczyk, Piotr. 2011. Simulating the changes in carbon structure during the burn-off process. Journal of Colloid and Interface Science. 360 (1): pp. 211-219.
    Source Title
    Journal of Colloid and Interface Science
    DOI
    10.1016/j.jcis.2011.04.003
    ISSN
    00219797
    School
    Nanochemistry Research Institute (Research Institute)
    URI
    http://hdl.handle.net/20.500.11937/10039
    Collection
    • Curtin Research Publications
    Abstract

    Using a simple energetic criterion, we modelled the process of activation of ‘soft’ activated carbons. Eighteen carbon samples, differing in degree of graphitisation, and obtained using Molecular Dynamics annealing of an amorphous carbon precursor were studied. For all samples, the geometric pore size distribution was calculated using the method proposed by Bhattacharya and Gubbins. Adsorption isotherms for Ar at 87 K were simulated and analysed using different approaches widely applied in adsorption science (α s, DA, APD, ND, BET). It is shown that our approach leads to similar changes in microporosity (with the rise in carbon burn-off) to those observed in real experiments. Moreover, the conclusions about the reality of popular methods of carbon porosity characterisation are given.

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