Journal
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Volume 56, Issue 8, Pages 2331-2338Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.iecr.6b04189
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Funding
- office of NA-22, U.S. Department of Energy
- U.S. DOE's NNSA [DE-AC04-94AL85000]
- U.S. DOE [DE-AC02-06CH11357]
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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.
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