Molecular simulation of efficient removal of H2S pollutant by cyclodextrine functionalized CNTs
Abstract DFT-D3 calculations were carried out to investigate interaction of H2S and CH4 between numerous functionalized CNTs (f-CNTs), including hydroxyl, carboxyl, and cyclodextrin groups as potential candidates for selective adsorption and elimination of toxic pollutants. It was found that pristin...
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| Auteurs principaux: | , |
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| Format: | article |
| Langue: | EN |
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Nature Portfolio
2019
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| Accès en ligne: | https://doaj.org/article/bc44b550808f454e84793743b48c3eef |
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