Iodine Gas Adsorption in Nanoporous Materials: A Combined Experiment-Modeling Study

Dorina F. Sava Gallis, Ivan Ermanoski, Jeffrey A. Greathouse, Karena W. Chapman, Tina M. Nenoff

    Research output: Contribution to journalArticle

    28 Citations (Scopus)

    Abstract

    Here, we present a combined experimental and Grand Canonical Monte Carlo (GCMC) modeling study on the adsorption of iodine in three classes of nanoporous materials: activated charcoals, zeolites, and metal-organic frameworks (MOFs). Iodine adsorption profiles were measured for the first time in situ, with a uniquely designed sorption apparatus. It was determined that pore size and pore environment are responsible for a dynamic adsorption profile, correlated with distinct pressure ranges. At pressures below 0.3 atm, iodine adsorption is governed by a combination of small pores and extra-framework components (e.g., Ag+ ions in the zeolite mordenite). At regimes above 0.3 atm, the amount of iodine gas stored relates with an increase in pore size and specific surface area. GCMC results validate the trends noted experimentally and in addition provide a measure of the strength of the adsorbate-adsorbent interactions in these materials.

    Original languageEnglish (US)
    Pages (from-to)2331-2338
    Number of pages8
    JournalIndustrial and Engineering Chemistry Research
    Volume56
    Issue number8
    DOIs
    StatePublished - Mar 1 2017

    Fingerprint

    Gas adsorption
    Iodine
    Zeolites
    Adsorption
    Pore size
    Experiments
    Charcoal
    Adsorbates
    Specific surface area
    Activated carbon
    Adsorbents
    Sorption
    Gases
    Metals
    Ions

    ASJC Scopus subject areas

    • Chemistry(all)
    • Chemical Engineering(all)
    • Industrial and Manufacturing Engineering

    Cite this

    Iodine Gas Adsorption in Nanoporous Materials : A Combined Experiment-Modeling Study. / Sava Gallis, Dorina F.; Ermanoski, Ivan; Greathouse, Jeffrey A.; Chapman, Karena W.; Nenoff, Tina M.

    In: Industrial and Engineering Chemistry Research, Vol. 56, No. 8, 01.03.2017, p. 2331-2338.

    Research output: Contribution to journalArticle

    Sava Gallis, Dorina F. ; Ermanoski, Ivan ; Greathouse, Jeffrey A. ; Chapman, Karena W. ; Nenoff, Tina M. / Iodine Gas Adsorption in Nanoporous Materials : A Combined Experiment-Modeling Study. In: Industrial and Engineering Chemistry Research. 2017 ; Vol. 56, No. 8. pp. 2331-2338.
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