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 journalArticlepeer-review

    68 Scopus citations


    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
    Issue number8
    StatePublished - Mar 1 2017

    ASJC Scopus subject areas

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


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