Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal–Organic Framework

Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.

doi:10.1021/jacs.5b02556

Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal–Organic Framework

Journal Article · Wed Jun 10 00:00:00 EDT 2015 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.5b02556· OSTI ID:1593339

Chen, Xianyin ^[1]; Plonka, Anna M. ^[1]; Banerjee, Debasis ^[2]; Krishna, Rajamani ^[3]; ^[2]; Ghose, Sanjit ^[4]; ^[2]; Parise, John B. ^[1]

State University of New York at Stony Brook
BATTELLE (PACIFIC NW LAB)
University of Amsterdam
BNL

The cryogenic separation of noble gases is energy-intensive and expensive, especially when low concentrations are involved. Metal organic frameworks containing polarizing groups within their pore spaces are predicted to be efficient Xe/Kr solid state adsorbents but no experimental insights on the nature of the Xe-network interaction is available to date. Here we report a new microporous metal organic framework (designated SBU2) that is selective toward Xe over Kr at ambient conditions, with Xe/Kr selectivity of about 10 and Xe capacity of 37.1 wt% at 298 K. Results of single crystal diffraction show Xe selectivity may be attributed to the specific geometry of the pores, forming cages built with phenyl rings and enriched with polar -OH groups, both serving as strong adsorption sites for polarizable Xe gas. The Xe/Kr separation in SBU2 was investigated with experimental and computational breakthrough methods. These experiments showed that Xe broke through the column after 3 min, followed by Kr at 4.5 min after injection of gases mixture, which confirmed that SBU2 has a real practical potential for separating Xe from Kr. Computational calculations show that SBU2 capacity and adsorption selectivity is comparable to the best-performing unmodified MOFs such as Ni-MOF-74 or Co Formate.

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1593339

Report Number(s):: PNNL-SA-111088

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 22 Vol. 137

Country of Publication:: United States

Language:: English

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Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal–Organic Framework

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