dc.contributor.author | Ruan, Jiawei | |
dc.contributor.author | Ye, Xiangzhu | |
dc.contributor.author | Wang, Ruizhuan | |
dc.contributor.author | Chen, Lifang | |
dc.contributor.author | Deng, Liyuan | |
dc.contributor.author | Qi, Zhiwen | |
dc.date.accessioned | 2024-02-05T08:38:06Z | |
dc.date.available | 2024-02-05T08:38:06Z | |
dc.date.created | 2022-12-11T12:12:30Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | Fuel. 2023, 334 126709-?. | en_US |
dc.identifier.issn | 0016-2361 | |
dc.identifier.uri | https://hdl.handle.net/11250/3115447 | |
dc.description.abstract | Deep eutectic solvents (DESs) as a new class of designer solvents have attracted intensive attention in CO2 capture, while the interactions between CO2 and underlying molecules and/or ions in DESs are poorly understood. Here, superbase 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) and 1,2,4-triazole (Tz) formed DESs with different DBN/Tz molar ratios were used to absorb CO2, wherein DES [2DBN:Tz] achieved the highest weight capacity approaching 0.19 g CO2/g DES at 25 °C. The ionicity of the DESs was determined by proton transfer from Tz to DBN and showed a positive correlation with absorption capacity. Density functional theory calculation was also used to elucidate the proton transfer between molecular and ionic pairs in [DBN:Tz] and their interactions with CO2. Both Hirshfeld atomic charge and electrostatic potential analyses revealed that DBN and Tz− acted as electron-rich nucleophiles could form DBN-CO2 and Tz-CO2− adducts with electrophilic CO2, which were also confirmed by carbon nuclear magnetic resonance and Fourier transform infrared spectroscopy. Moreover, a two-paths CO2 capture process through synergistic effect of DBN molecules and Tz− ions in the DESs was proposed and demonstrated. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Elsevier | en_US |
dc.rights | Navngivelse 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/deed.no | * |
dc.title | Experimental and theoretical study on efficient CO2 absorption coordinated by molecules and ions of DBN and 1,2,4-triazole formed deep eutectic solvents | en_US |
dc.title.alternative | Experimental and theoretical study on efficient CO2 absorption coordinated by molecules and ions of DBN and 1,2,4-triazole formed deep eutectic solvents | en_US |
dc.type | Peer reviewed | en_US |
dc.type | Journal article | en_US |
dc.description.version | acceptedVersion | en_US |
dc.source.pagenumber | 126709-? | en_US |
dc.source.volume | 334 | en_US |
dc.source.journal | Fuel | en_US |
dc.identifier.doi | 10.1016/j.fuel.2022.126709 | |
dc.identifier.cristin | 2091564 | |
cristin.ispublished | true | |
cristin.fulltext | postprint | |
cristin.qualitycode | 2 | |