TY - JOUR
T1 - Iodine Gas Adsorption in Nanoporous Materials
T2 - A Combined Experiment-Modeling Study
AU - Sava Gallis, Dorina F.
AU - Ermanoski, Ivan
AU - Greathouse, Jeffrey A.
AU - Chapman, Karena W.
AU - Nenoff, Tina M.
N1 - Funding Information:
This work was supported by the office of NA-22, U.S. Department of Energy. Sandia National Laboratories is a multi-mission lab managed and operated by Sandia Corp., a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. DOE's NNSA under Contract No. DE-AC04-94AL85000. Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the US DOE/Office of Science by Argonne National Laboratory, was supported by the U.S. DOE, Contract No. DE-AC02-06CH11357.
Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/3/1
Y1 - 2017/3/1
N2 - 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.
AB - 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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U2 - 10.1021/acs.iecr.6b04189
DO - 10.1021/acs.iecr.6b04189
M3 - Article
AN - SCOPUS:85025625611
SN - 0888-5885
VL - 56
SP - 2331
EP - 2338
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 8
ER -