A theoretical study of noxious gases storage using covalent organic frameworks (COFs)
Using covalent organic frameworks (COFs) to capture noxious gas has become an increasing research interest, especially for the purpose of environmental protection. A theoretical study on the interactions of carbon monoxide (CO), sulfur dioxide (SO2) and nitric oxide (NO), respectively with COF-300 h...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing Ltd
2020
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| Online Access: | https://eprints.nottingham.ac.uk/63897/ |
| _version_ | 1848800071662960640 |
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| author | Xia, Liang Yang, Yingjian Chan, Yue |
| author_facet | Xia, Liang Yang, Yingjian Chan, Yue |
| author_sort | Xia, Liang |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | Using covalent organic frameworks (COFs) to capture noxious gas has become an increasing research interest, especially for the purpose of environmental protection. A theoretical study on the interactions of carbon monoxide (CO), sulfur dioxide (SO2) and nitric oxide (NO), respectively with COF-300 has been proposed, based on the theory of the continuum approximation using Lennard-Jones potential. We discover that COF-300 can store more SO2 in comparison to CO and NO under an increasing pressure at 77K. The present methodology is computationally efficient and can be employed in other types of gases and nano-porous materials without conceptual difficulties. |
| first_indexed | 2025-11-14T20:45:44Z |
| format | Article |
| id | nottingham-63897 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T20:45:44Z |
| publishDate | 2020 |
| publisher | IOP Publishing Ltd |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-638972020-12-03T06:19:19Z https://eprints.nottingham.ac.uk/63897/ A theoretical study of noxious gases storage using covalent organic frameworks (COFs) Xia, Liang Yang, Yingjian Chan, Yue Using covalent organic frameworks (COFs) to capture noxious gas has become an increasing research interest, especially for the purpose of environmental protection. A theoretical study on the interactions of carbon monoxide (CO), sulfur dioxide (SO2) and nitric oxide (NO), respectively with COF-300 has been proposed, based on the theory of the continuum approximation using Lennard-Jones potential. We discover that COF-300 can store more SO2 in comparison to CO and NO under an increasing pressure at 77K. The present methodology is computationally efficient and can be employed in other types of gases and nano-porous materials without conceptual difficulties. IOP Publishing Ltd 2020-09-18 Article PeerReviewed application/pdf en cc_by https://eprints.nottingham.ac.uk/63897/1/A%20theoretical%20study%20of%20noxious%20gases%20storage%20using%20covalent%20organic%20frameworks%20%28COFs%29.pdf Xia, Liang, Yang, Yingjian and Chan, Yue (2020) A theoretical study of noxious gases storage using covalent organic frameworks (COFs). Journal of Physics: Conference Series, 1592 . 012025. ISSN 1742-6588 covalent organic frameworks; http://dx.doi.org/10.1088/1742-6596/1592/1/012025 doi:10.1088/1742-6596/1592/1/012025 doi:10.1088/1742-6596/1592/1/012025 |
| spellingShingle | covalent organic frameworks; Xia, Liang Yang, Yingjian Chan, Yue A theoretical study of noxious gases storage using covalent organic frameworks (COFs) |
| title | A theoretical study of noxious gases storage using covalent organic frameworks (COFs) |
| title_full | A theoretical study of noxious gases storage using covalent organic frameworks (COFs) |
| title_fullStr | A theoretical study of noxious gases storage using covalent organic frameworks (COFs) |
| title_full_unstemmed | A theoretical study of noxious gases storage using covalent organic frameworks (COFs) |
| title_short | A theoretical study of noxious gases storage using covalent organic frameworks (COFs) |
| title_sort | theoretical study of noxious gases storage using covalent organic frameworks (cofs) |
| topic | covalent organic frameworks; |
| url | https://eprints.nottingham.ac.uk/63897/ https://eprints.nottingham.ac.uk/63897/ https://eprints.nottingham.ac.uk/63897/ |