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    A novel and consistent method (TriPOD) to characterize an arbitrary porous solid for its accessible volume, accessible geometrical surface area and accessible pore size

    Access Status
    Fulltext not available
    Authors
    Herrera, L.
    Fan, Chunyan
    Do, D.
    Nicholson, D.
    Date
    2011
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Herrera, L. and Fan, C. and Do, D. and Nicholson, D. 2011. A novel and consistent method (TriPOD) to characterize an arbitrary porous solid for its accessible volume, accessible geometrical surface area and accessible pore size. Adsorption. 17 (1): pp. 55-68.
    Source Title
    Adsorption
    DOI
    10.1007/s10450-010-9289-z
    ISSN
    0929-5607
    School
    Department of Chemical Engineering
    URI
    http://hdl.handle.net/20.500.11937/55829
    Collection
    • Curtin Research Publications
    Abstract

    We present an improved Monte Carlo integration method to calculate the accessible pore size distribution of a porous solid having known configuration of solid atoms. The pore size distribution obtained with the present method is consistent with the accessible volume and the accessible geometric surface area presented in previous publications (Do and Do, in J. Colloid Interface Sci. 316(2):317-330, 2007; Do et al. in Adsorpt. J., 2010). The accessible volume, accessible geometrical surface area and the pore size distribution method construct an unambiguous and robust single framework to characterize porous solids. This framework is based on the derivation of the space accessible to the center of mass of a probe molecule. The accessible pore size presented is an absolute quantity in the sense that a zero value is possible. We present the entire framework of this characterization method and compare the improved method with the one presented previously for a set of porous solids such as graphitic slit pores, defective slit pores, bundle of carbon nanotubes, zeolite and some metal organic frameworks. © 2010 Springer Science+Business Media, LLC.

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