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CO2 Capture by Hydroxylated Azine-Based Covalent Organic Frameworks
Authors:Dr. Renata Avena Maia  Felipe Lopes Oliveira  Prof. Vincent Ritleng  Prof. Qiang Wang  Dr. Benoît Louis  Prof. Pierre Mothé Esteves
Affiliation:1. Instituto de Química, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos, 149, CT, Bl. A-622, Cid. Universitária, Ilha do Fundão, Rio de Janeiro, RJ, 21941-909 Brazil

Université de Strasbourg, CNRS, ICPEES, UMR 7515, 25 rue Becquerel, 67087 Strasbourg, France;2. Instituto de Química, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos, 149, CT, Bl. A-622, Cid. Universitária, Ilha do Fundão, Rio de Janeiro, RJ, 21941-909 Brazil;3. Université de Strasbourg, CNRS, LIMA, UMR 7042, 25 rue Becquerel, 67087 Strasbourg, France;4. College of Environmental Science and Engineering, Beijing Forestry University, 35 Qinghua E Rd, Haidian District, Beijing, 100083 China;5. Université de Strasbourg, CNRS, ICPEES, UMR 7515, 25 rue Becquerel, 67087 Strasbourg, France

Abstract:Covalent organic frameworks (COFs) RIO-13, RIO-12, RIO-11, and RIO-11m were investigated towards their CO2 capture properties by thermogravimetric analysis at 1 atm and 40 °C. These microporous COFs bear in common the azine backbone composed of hydroxy-benzene moieties but differ in the relative number of hydroxyl groups present in each material. Thus, their sorption capacities were studied as a function of their textural and chemical properties. Their maximum CO2 uptake values showed a strong correlation with an increasing specific surface area, but that property alone could not fully explain the CO2 uptake data. Hence, the specific CO2 uptake, combined with DFT calculations, indicated that the relative number of hydroxyl groups in the COF backbone acts as an adsorption threshold, as the hydroxyl groups were indeed identified as relevant adsorption sites in all the studied COFs. Additionally, the best performing COF was thoroughly investigated, experimentally and theoretically, for its CO2 capture properties in a variety of CO2 concentrations and temperatures, and showed excellent isothermal recyclability up to 3 cycles.
Keywords:covalent organic frameworks  CO2 adsorption  CO2 capture  DFT calculations
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