Metal–organic framework with optimally selective xenon adsorption and separation

Debasis Banerjee, Cory M. Simon, Anna M. Plonka, Radha K. Motkuri, Jian Liu, Xianyin Chen, Berend Smit (), John B. Parise, Maciej Haranczyk () and Praveen K. Thallapally ()
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Debasis Banerjee: Physical and Computational Science Directorate, Pacific Northwest National Laboratory
Cory M. Simon: University of California, Berkley
Anna M. Plonka: Stony Brook University
Radha K. Motkuri: Energy and Environmental Directorate, Pacific Northwest National Laboratory
Jian Liu: Energy and Environmental Directorate, Pacific Northwest National Laboratory
Xianyin Chen: Stony Brook University
Berend Smit: University of California, Berkley
John B. Parise: Stony Brook University
Maciej Haranczyk: Lawrence Berkeley National Laboratory
Praveen K. Thallapally: Physical and Computational Science Directorate, Pacific Northwest National Laboratory

Nature Communications, 2016, vol. 7, issue 1, 1-7

Abstract: Abstract Nuclear energy is among the most viable alternatives to our current fossil fuel-based energy economy. The mass deployment of nuclear energy as a low-emissions source requires the reprocessing of used nuclear fuel to recover fissile materials and mitigate radioactive waste. A major concern with reprocessing used nuclear fuel is the release of volatile radionuclides such as xenon and krypton that evolve into reprocessing facility off-gas in parts per million concentrations. The existing technology to remove these radioactive noble gases is a costly cryogenic distillation; alternatively, porous materials such as metal–organic frameworks have demonstrated the ability to selectively adsorb xenon and krypton at ambient conditions. Here we carry out a high-throughput computational screening of large databases of metal–organic frameworks and identify SBMOF-1 as the most selective for xenon. We affirm this prediction and report that SBMOF-1 exhibits by far the highest reported xenon adsorption capacity and a remarkable Xe/Kr selectivity under conditions pertinent to nuclear fuel reprocessing.

Date: 2016
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DOI: 10.1038/ncomms11831

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