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    A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop?

    225361.pdf (1.547Mb)
    Access Status
    Open access
    Authors
    Fan, Chunyan
    Zeng, Y.
    Do, D.
    Nicholson, D.
    Date
    2015
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Fan, C. and Zeng, Y. and Do, D. and Nicholson, D. 2015. A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop? Chemical Engineering Science. 121: pp. 313-321.
    Source Title
    Chemical Engineering Science
    DOI
    10.1016/j.ces.2014.08.018
    ISSN
    0009-2509
    School
    Department of Chemical Engineering
    Remarks

    NOTICE: this is the author’s version of a work that was accepted for publication in Chemical Engineering Science. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Chemical Engineering Science, Vol.121 (2014)]. DOI: 10.1016/j.ces.2014.08.018

    URI
    http://hdl.handle.net/20.500.11937/6342
    Collection
    • Curtin Research Publications
    Abstract

    This paper reports detailed simulations of adsorption and desorption of argon in closed end slit pores with the aim of investigating the existence of hysteresis. The classical thermodynamic approach implies that there should be no hysteresis in a closed end pore because it assumes that the condensed phase is identical to a uniform bulk liquid and that the interface between the gas-like region and the dense adsorbate region is the same when the pore fills as when it empties. Our simulations show that hysteresis is possible and we support this assertion with evidence from a critical analysis of the classical equation. Our extensive results show that hysteresis can occur in closed end pores because of the continuous structuring of the adsorbed phase induced by the combined effects of the solid-fluid interaction and the fluid-fluid interaction.

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      Fan, Chunyan; Do, D.; Nicholson, D. (2014)
      We have studied the adsorption of argon at 87 K in slit pores of finite length with a smooth graphitic potential, open at both ends or closed at one end. Simulations were carried out using conventional GCMC (grand canonical ...
    • On the hysteresis of adsorption and desorption of simple gases in open end and closed end pores
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      This paper presents a comprehensive computer simulation study of the microscopic mechanisms of adsorption and desorption in uniform sized pores. Our specific aim is to elucidate the origin of hysteresis, especially in ...
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