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

Title: Direct Observation of Xe and Kr Adsorption in a Xe-selective Microporous Metal Organic Framework

Journal Article · Fri May 22 00:00:00 EDT 2015 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.5b02556· OSTI ID:1237163

Chen, Xianyin ^[1]; Plonka, Anna M. ^[1]; Banerjee, Debasis ^[2]; Krishna, Rajamani ^[3]; Schaef, Herbert T. ^[2]; Ghose, Sanjit ^[4]; Thallapally, Praveen K. ^[2]; Parise, John B. ^[5]

Stony Brook Univ., NY (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Univ. of Amsterdam (Netherlands)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Stony Brook Univ., NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)

We found that the cryogenic separation of noble gases is energy-intensive and expensive, especially when low concentrations are involved. Metal–organic frameworks (MOFs) containing polarizing groups within their pore spaces are predicted to be efficient Xe/Kr solid-state adsorbents, but no experimental insights into the nature of the Xe–network interaction are available to date. Here we report a new microporous MOF (designated SBMOF-2) that is selective toward Xe over Kr under ambient conditions, with a Xe/Kr selectivity of about 10 and a Xe capacity of 27.07 wt % at 298 K. Single-crystal diffraction results show that the 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 of which serve as strong adsorption sites for polarizable Xe gas. The Xe/Kr separation in SBMOF-2 was investigated with experimental and computational breakthrough methods. These experiments showed that Kr broke through the column first, followed by Xe, which confirmed that SBMOF-2 has a real practical potential for separating Xe from Kr. Our calculations showed that the capacity and adsorption selectivity of SBMOF-2 are comparable to those of the best-performing unmodified MOFs such as NiMOF-74 or Co formate.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC00112704

OSTI ID:: 1237163

Report Number(s):: BNL-108192-2015-JA; R&D Project: LS001

Journal Information:: Journal of the American Chemical Society, Vol. 137, Issue 22; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 144 works

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