Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane
Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation method for such mixtures. Such a separation is also economica...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-08-01
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| Series: | Membranes |
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| Online Access: | https://www.mdpi.com/2077-0375/13/9/768 |
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| author | Bandar J. Bashmmakh Xiaoyu Wang Cynthia J. Jameson Sohail Murad |
| author_facet | Bandar J. Bashmmakh Xiaoyu Wang Cynthia J. Jameson Sohail Murad |
| author_sort | Bandar J. Bashmmakh |
| collection | DOAJ |
| description | Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation method for such mixtures. Such a separation is also economically rewarding because Xe is in high demand, as a valuable product for many applications/processes. In this work, we have used Molecular Dynamics (MD) simulations to study the effects of different conditions, i.e., temperature, pressure, and gas feed composition, on Kr/Xe separation performance via DD3R zeolite membranes. We provide a comprehensive study of the permeation of the different gas species, density profiles, and diffusion coefficients. Molecular simulations show that if the feed is changed from pure Kr/Xe to an equimolar mixture, the Kr/Xe separation factor increases, which agrees with experiments. In addition, when Ar is introduced as a sweep gas, the adsorption of both Kr and Xe increases, while the permeation of pure Kr increases. A similar behavior is observed with equimolar mixtures of Kr/Xe with Ar as the sweep gas. High-separation Kr/Xe selectivity is observed at 50 atm and 425 K but with low total permeation rates. Changing pressure and temperature are found to have profound effects on optimizing the separation selectivity and the permeation throughput. |
| first_indexed | 2024-03-10T22:29:33Z |
| format | Article |
| id | doaj.art-fbddf89f4e7849c2a8df45d39550f776 |
| institution | Directory Open Access Journal |
| issn | 2077-0375 |
| language | English |
| last_indexed | 2024-03-10T22:29:33Z |
| publishDate | 2023-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Membranes |
| spelling | doaj.art-fbddf89f4e7849c2a8df45d39550f7762023-11-19T11:54:11ZengMDPI AGMembranes2077-03752023-08-0113976810.3390/membranes13090768Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite MembraneBandar J. Bashmmakh0Xiaoyu Wang1Cynthia J. Jameson2Sohail Murad3Department of Chemical and Biological Engineering, Illinois Institute of Technology, Chicago, IL 60616, USASeparation Science Group, Argonne National Laboratory, Lemont, IL 60439, USADepartment of Chemistry, University of Illinois Chicago, Chicago, IL 60607, USADepartment of Chemical and Biological Engineering, Illinois Institute of Technology, Chicago, IL 60616, USARecent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation method for such mixtures. Such a separation is also economically rewarding because Xe is in high demand, as a valuable product for many applications/processes. In this work, we have used Molecular Dynamics (MD) simulations to study the effects of different conditions, i.e., temperature, pressure, and gas feed composition, on Kr/Xe separation performance via DD3R zeolite membranes. We provide a comprehensive study of the permeation of the different gas species, density profiles, and diffusion coefficients. Molecular simulations show that if the feed is changed from pure Kr/Xe to an equimolar mixture, the Kr/Xe separation factor increases, which agrees with experiments. In addition, when Ar is introduced as a sweep gas, the adsorption of both Kr and Xe increases, while the permeation of pure Kr increases. A similar behavior is observed with equimolar mixtures of Kr/Xe with Ar as the sweep gas. High-separation Kr/Xe selectivity is observed at 50 atm and 425 K but with low total permeation rates. Changing pressure and temperature are found to have profound effects on optimizing the separation selectivity and the permeation throughput.https://www.mdpi.com/2077-0375/13/9/768gas separationzeolitemembrane-based separationmolecular dynamics simulations |
| spellingShingle | Bandar J. Bashmmakh Xiaoyu Wang Cynthia J. Jameson Sohail Murad Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane Membranes gas separation zeolite membrane-based separation molecular dynamics simulations |
| title | Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane |
| title_full | Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane |
| title_fullStr | Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane |
| title_full_unstemmed | Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane |
| title_short | Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane |
| title_sort | xe recovery from nuclear power plants off gas streams molecular simulations of gas permeation through dd3r zeolite membrane |
| topic | gas separation zeolite membrane-based separation molecular dynamics simulations |
| url | https://www.mdpi.com/2077-0375/13/9/768 |
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