Metal–organic framework with optimally selective xenon adsorption and separation

Banerjee, Debasis; Simon, Cory M.; Plonka, Anna M.; Motkuri, Radha K.; Liu, Jian; Chen, Xianyin; Smit, Berend; Parise, John B.; Haranczyk, Maciej; Thallapally, Praveen K.

doi:10.1038/ncomms11831

Title: Metal–organic framework with optimally selective xenon adsorption and separation

Journal Article · Mon Jun 13 00:00:00 EDT 2016 · Nature Communications

DOI:https://doi.org/10.1038/ncomms11831· OSTI ID:1340382

Banerjee, Debasis ^[1]; Simon, Cory M. ^[2]; Plonka, Anna M. ^[3]; Motkuri, Radha K. ^[4];

^[4]; Chen, Xianyin ^[5];

^[6]; Parise, John B. ^[7]; Haranczyk, Maciej ^[8]; Thallapally, Praveen K. ^[9]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical and Computational Science Directorate
Univ. of California, Berkeley, CA (United States). Department of Chemical and Biochemical Engineering
Stony Brook Univ., NY (United States). Department of Geosciences
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environmental Directorate
Stony Brook Univ., NY (United States). Department of Chemistry
Univ. of California, Berkeley, CA (United States). Department of Chemical and Biochemical Engineering ; Institut des Sciences et Ingenierie Chimiques, Valais, Ecole Polytechnique Federale de Lausanne (EPFL) (Switzerland)
Stony Brook Univ., NY (United States). Department of Geosciences and Department of Chemistry; Brookhaven National Lab. (BNL), Upton, NY (United States). Photon Sciences
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; IMDEA Materials Institute, C/Eric Kandel 2, Madrid (Spain)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physcial and Computational Science Directorate

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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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS); Brookhaven National Laboratory (BNL), Upton, NY (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS); National Science Foundation (NSF)

Grant/Contract Number:: SC0012704; SC0001015; AC05-06OR23100; AC02-05CH11231; AC05-76RL01830; DMR-1231586; CHE-0840483

OSTI ID:: 1340382

Alternate ID(s):: OSTI ID: 1290365; OSTI ID: 1379396

Report Number(s):: BNL-112568-2016-JA; PNNL-SA-116761

Journal Information:: Nature Communications, Vol. 7; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 298 works

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Employing an Unsaturated Th ⁴⁺ Site in a Porous Thorium-Organic Framework for Kr/Xe Uptake and Separation Wang, Yanlong; Liu, Wei; Bai, Zhuanling Angewandte Chemie International Edition, Vol. 57, Issue 20 https://doi.org/10.1002/anie.201802173	journal	April 2018
Cover Picture: Separation of Xe from Kr with Record Selectivity and Productivity in Anion‐Pillared Ultramicroporous Materials by Inverse Size‐Sieving (Angew. Chem. Int. Ed. 9/2020) Wang, Qingju; Ke, Tian; Yang, Lifeng Angewandte Chemie International Edition, Vol. 59, Issue 9 https://doi.org/10.1002/anie.202000349	journal	January 2020
Liquid phase blending of metal-organic frameworks. Longley, Louis; Collins, Sean; Zhou, Chao Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.27441	text	January 2018
A Cooperative Pillar-Template Strategy as a Generalized Synthetic Method for Flexible Homochiral Porous Frameworks Jin, Jing; Zhao, Xiang; Feng, Pingyun Angewandte Chemie, Vol. 130, Issue 14 https://doi.org/10.1002/ange.201801116	journal	March 2018
An Americium‐Containing Metal–Organic Framework: A Platform for Studying Transplutonium Elements Ridenour, J. August; Surbella, Robert G.; Gelis, Artem V. Angewandte Chemie International Edition, Vol. 58, Issue 46 https://doi.org/10.1002/anie.201909988	journal	November 2019
Computer-aided discovery of a metal-organic framework with superior oxygen uptake. Moghadam, Peyman Z.; Islamoglu, Timur; Goswami, Subhadip Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.30869	text	January 2018
Isotope Harvesting at FRIB: Additional opportunities for scientific discovery Abel, E. Paige; Avilov, Mikael; Ayres, Virginia arXiv https://doi.org/10.48550/arxiv.1812.03984	text	January 2018
Ab Initio Evaluation of Henry Coefficients Using Importance Sampling Vandenbrande, Steven; Waroquier, Michel; Van Speybroeck, Veronique Journal of Chemical Theory and Computation, Vol. 14, Issue 12 https://doi.org/10.1021/acs.jctc.8b00892	journal	October 2018
Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field Mace, Amber; Barthel, Senja; Smit, Berend Journal of Chemical Theory and Computation, Vol. 15, Issue 4 https://doi.org/10.1021/acs.jctc.8b01255	journal	February 2019
Nanocrystalline diamond protects Zr cladding surface against oxygen and hydrogen uptake : Nuclear fuel durability enhancement Skarohlid, Jan; Ashcheulov, Petr; Skoda, Radek Karlsruhe https://doi.org/10.5445/ir/1000072930	text	January 2017

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Related Subjects

36 MATERIALS SCIENCE
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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