文献类型：期刊文献

英文题名：Elucidating the transition between CO2 physisorption and chemisorption in 1,2,4-triazolate ionic liquids at a molecular level

作者：Hu, Xutao[1,2];Yang, Xuemei[2];Chen, Lifang[1];Mei, Mingcan[1];Song, Zhen[1];Fei, Zhaofu[2];Dyson, Paul J.[2];Qi, Zhiwen[1]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Max Planck Partner Grp, Shanghai 200237, Peoples R China;[2]Ecole Polytech Fed Lausanne EPFL, Inst Chem Sci & Engn, CH-1015 Lausanne, Switzerland

年份：2022

卷号：435

外文期刊名：CHEMICAL ENGINEERING JOURNAL

收录：;EI(收录号：20220511582620);WOS:【SCI-EXPANDED(收录号:WOS:000773523700001)】；

基金：We thank the EPFL and Swiss National Science Foundation, the National Centres of Competence in Research of Catalysis (565274) and the National Natural Science Foundation of China (21576081) for financial support. Xutao Hu thanks the China Scholarship Council for financing the joint PhD program (No. 202006740065) with the Ecole Polytechnique Federale de Lausanne (EPFL).

语种：英文

外文关键词：CO2 capture; Ionic liquids; C-13 isotopic labelling; Spectroscopy; Modelling

摘要：Capture of CO2 is a crucial process to achieve carbon neutrality. High-performance CO2 capture involves both physi- and chemi-sorption, with a transition between them. However, the underlying mechanistic insights required to produce the methods to tune the transition are poorly understood. Here, we describe a series of 1,2,4triazolate ionic liquids (TZ ILs) that capture > 0.7 mol CO2/mol TZ IL in a two-stage absorption process. Physiand chemi-sorption were studied by spectroscopy using (CO2)-C-13 and the transition between the two sorption modes has been identified. UV-Vis, FT-IR and NMR spectroscopy as well as density and viscosity measurements demonstrate that physisorption is initially the dominant process whereas later chemisorption predominates. Based on the identification of key species combined with theoretical modelling, a plausible molecular-level mechanism is proposed for the transition between the two sorption modes. These mechanistic insights enable the transition of CO2 capture to be tuned.