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Metal–organic framework with optimally selective xenon adsorption and separation

Debasis BanerjeePhysical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USACory M. SimonDepartment of Chemical and Biochemical Engineering, University of California, Berkley, Berkeley, California 94720, USAAnna M. PłonkaDepartment of Geosciences, Stony Brook University, Stony Brook, New York 11794, USARadha Kishan MotkuriEnergy and Environmental Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USAJian LiuEnergy and Environmental Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USAXianyin ChenDepartment of Chemistry, Stony Brook University, Stony Brook, New York 11794, USABerend SmitDepartment of Chemical and Biochemical Engineering, University of California, Berkley, Berkeley, California 94720, USAJohn B. PariseDepartment of Chemistry, Stony Brook University, Stony Brook, New York 11794, USAMaciej HarańczykComputational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USAPraveen K. ThallapallyPhysical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA

2016en

ABI

Annotatsiya

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.

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Identifikatorlar

DOI: 10.1038/ncomms11831

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