Metal–organic framework with optimally selective xenon adsorption and separation
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.
- Authors:
-
- 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
- Publication Date:
- Research Org.:
- 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 Org.:
- 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)
- OSTI Identifier:
- 1340382
- Alternate Identifier(s):
- OSTI ID: 1290365; OSTI ID: 1379396
- Report Number(s):
- BNL-112568-2016-JA; PNNL-SA-116761
Journal ID: ISSN 2041-1723
- Grant/Contract Number:
- SC0012704; SC0001015; AC05-06OR23100; AC02-05CH11231; AC05-76RL01830; DMR-1231586; CHE-0840483
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 7; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Inorganic chemistry; Metal-organic frameworks; Xenon; Krypton; MOFs
Citation Formats
Banerjee, Debasis, Simon, Cory M., Plonka, Anna M., Motkuri, Radha K., Liu, Jian, Chen, Xianyin, Smit, Berend, Parise, John B., Haranczyk, Maciej, and Thallapally, Praveen K. Metal–organic framework with optimally selective xenon adsorption and separation. United States: N. p., 2016.
Web. doi:10.1038/ncomms11831.
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. Metal–organic framework with optimally selective xenon adsorption and separation. United States. https://doi.org/10.1038/ncomms11831
Banerjee, Debasis, Simon, Cory M., Plonka, Anna M., Motkuri, Radha K., Liu, Jian, Chen, Xianyin, Smit, Berend, Parise, John B., Haranczyk, Maciej, and Thallapally, Praveen K. Mon .
"Metal–organic framework with optimally selective xenon adsorption and separation". United States. https://doi.org/10.1038/ncomms11831. https://www.osti.gov/servlets/purl/1340382.
@article{osti_1340382,
title = {Metal–organic framework with optimally selective xenon adsorption and separation},
author = {Banerjee, Debasis and Simon, Cory M. and Plonka, Anna M. and Motkuri, Radha K. and Liu, Jian and Chen, Xianyin and Smit, Berend and Parise, John B. and Haranczyk, Maciej and Thallapally, Praveen K.},
abstractNote = {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.},
doi = {10.1038/ncomms11831},
journal = {Nature Communications},
number = ,
volume = 7,
place = {United States},
year = {Mon Jun 13 00:00:00 EDT 2016},
month = {Mon Jun 13 00:00:00 EDT 2016}
}
Web of Science
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- CrystEngComm, Vol. 19, Issue 22
A microporous metal–organic framework with commensurate adsorption and highly selective separation of xenon
journal, January 2018
- Xiong, Shunshun; Gong, Youjin; Hu, Shuanglin
- Journal of Materials Chemistry A, Vol. 6, Issue 11
General strategies for effective capture and separation of noble gases by metal–organic frameworks
journal, January 2018
- Wang, Hao; Li, Jing
- Dalton Transactions, Vol. 47, Issue 12
Metal–organic framework derived nanoporous carbons with highly selective adsorption and separation of xenon
journal, January 2018
- Gong, Youjin; Tang, Yuanming; Mao, Zhenghao
- Journal of Materials Chemistry A, Vol. 6, Issue 28
A nanosized metal–organic framework with small pores for kinetic xenon separation
journal, January 2018
- Yu, Guangli; Liu, Yueqiao; Zou, Xiaoqin
- Journal of Materials Chemistry A, Vol. 6, Issue 25
Porous organic materials with ultra-small pores and sulfonic functionality for xenon capture with exceptional selectivity
journal, January 2018
- Li, Jialu; Huang, Ling; Zou, Xiaoqin
- Journal of Materials Chemistry A, Vol. 6, Issue 24
Selective separation of Xe/Kr and adsorption of water in a microporous hydrogen-bonded organic framework
journal, January 2019
- Lee, Wang-Geun; Yoon, Tae-Ung; Bae, Youn-Sang
- RSC Advances, Vol. 9, Issue 63
Isotope harvesting at FRIB: additional opportunities for scientific discovery
journal, August 2019
- Abel, E. Paige; Avilov, Mikael; Ayres, Virginia
- Journal of Physics G: Nuclear and Particle Physics, Vol. 46, Issue 10
Chiral Isocamphoric Acid: Founding a Large Family of Homochiral Porous Materials
journal, May 2018
- Zhao, Xiang; Nguyen, Edward T.; Hong, Anh N.
- Angewandte Chemie, Vol. 130, Issue 24
Xenon Recovery by DD3R Zeolite Membranes: Application in Anaesthetics
journal, September 2019
- Wang, Xuerui; Zhang, Yuting; Wang, Xiaoyu
- Angewandte Chemie, Vol. 131, Issue 43
Titelbild: Separation of Xe from Kr with Record Selectivity and Productivity in Anion‐Pillared Ultramicroporous Materials by Inverse Size‐Sieving (Angew. Chem. 9/2020)
journal, January 2020
- Wang, Qingju; Ke, Tian; Yang, Lifeng
- Angewandte Chemie, Vol. 132, Issue 9
Employing an Unsaturated Th 4+ Site in a Porous Thorium-Organic Framework for Kr/Xe Uptake and Separation
journal, April 2018
- Wang, Yanlong; Liu, Wei; Bai, Zhuanling
- Angewandte Chemie International Edition, Vol. 57, Issue 20
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)
journal, January 2020
- Wang, Qingju; Ke, Tian; Yang, Lifeng
- Angewandte Chemie International Edition, Vol. 59, Issue 9
Liquid phase blending of metal-organic frameworks.
text, January 2018
- Longley, Louis; Collins, Sean; Zhou, Chao
- Apollo - University of Cambridge Repository
A Cooperative Pillar-Template Strategy as a Generalized Synthetic Method for Flexible Homochiral Porous Frameworks
journal, March 2018
- Jin, Jing; Zhao, Xiang; Feng, Pingyun
- Angewandte Chemie, Vol. 130, Issue 14
An Americium‐Containing Metal–Organic Framework: A Platform for Studying Transplutonium Elements
journal, November 2019
- Ridenour, J. August; Surbella, Robert G.; Gelis, Artem V.
- Angewandte Chemie International Edition, Vol. 58, Issue 46
Computer-aided discovery of a metal-organic framework with superior oxygen uptake.
text, January 2018
- Moghadam, Peyman Z.; Islamoglu, Timur; Goswami, Subhadip
- Apollo - University of Cambridge Repository
Isotope Harvesting at FRIB: Additional opportunities for scientific discovery
text, January 2018
- Abel, E. Paige; Avilov, Mikael; Ayres, Virginia
- arXiv
Ab Initio Evaluation of Henry Coefficients Using Importance Sampling
journal, October 2018
- Vandenbrande, Steven; Waroquier, Michel; Van Speybroeck, Veronique
- Journal of Chemical Theory and Computation, Vol. 14, Issue 12
Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field
journal, February 2019
- Mace, Amber; Barthel, Senja; Smit, Berend
- Journal of Chemical Theory and Computation, Vol. 15, Issue 4
Capture of organic iodides from nuclear waste by metal-organic framework-based molecular traps
journal, September 2017
- Li, Baiyan; Dong, Xinglong; Wang, Hao
- Nature Communications, Vol. 8, Issue 1
Computer-aided discovery of a metal–organic framework with superior oxygen uptake
journal, April 2018
- Moghadam, Peyman Z.; Islamoglu, Timur; Goswami, Subhadip
- Nature Communications, Vol. 9, Issue 1
Nanocrystalline diamond protects Zr cladding surface against oxygen and hydrogen uptake : Nuclear fuel durability enhancement
text, January 2017
- Skarohlid, Jan; Ashcheulov, Petr; Skoda, Radek
- Karlsruhe