Novel Functionalized Sorbents for CO2 Capture: From Molecular Modelling to Dynamic Breakthrough Studies

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CO2 levels in the atmosphere are expected to rise beyond 450 ppm by 2050 leading to the acceleration of global warming associated with changes in climate patterns. These changes induce droughts, forest fires, more frequent and more severe hurricanes. Canada is projected to reduce its emissions by 130 megatonnes in 2030 when compared to the projected business-as-usual scenario. This is about half the emissions reductions needed to meet Canada's 2030 emissions target. Additional measures will be required to close the remaining gap. In a recent report, the International Energy Agency found that Carbon Capture and Sequestration (CCS) could contribute to a 19% reduction in global CO2 emissions by 2050, and that fighting climate change could cost over 70% more without CCS. ***The proposed research program intends to help find third-generation technology for Carbon Capture. The aim of this research is synthesize, characterise and model new promising solvents, functionalized sorbents, and their mixtures. The research program is divided into two main themes: Solvent and Sorbent Developments. These themes are subdivided into six objectives: (a) New amine-based Deep Eutectic Solvents (DESs) will be synthesized. (b) Mixtures of aqueous diamines/ionic liquids (ILs) or DESs will be screened for the highest capacity for CO2 absorption. (c) The best ILs will be used to impregnate solid sorbents such as Metal Organic Frameworks and mesoporous materials. The products will be tested for their CO2 capacity and selectivity over nitrogen. (d) It is also our intention to use new DESs to functionalize sorbents. (e) Based on our long experience dealing with amines, we will select the best amines to impregnate the best sorbents. (f) Computational modeling will be used in his research to help understand the mechanism of absorption or adsorption by studying the intermolecular interactions between CO2 and the solvents but also with the impregnated sorbents. Screening results will be used to target the synthesis of virtual sorbents to be synthesized. For the long-term, it will be also be of interest to use two different solvents to impregnate a sorbent. Multi-Walled Carbon Nanotubes(MWCNT) will be added to the best mesoporous sorbents to optimize their capacity for CO2 capture in a humid environment. The composite sorbent will then be impregnated with a solvent. Finally, in addition to CO2, other gases found in flue streams such as N2O, SO2 and O2 will be studied to mimic the actual environment found in real plants. ***The ultimate goal of this research is to replace second-generation carbon capture technologies (amine based) by third-generation functionalized sorbents with higher capacity, better stability, lower heat of regeneration and lower costs than commercially available amine solvents presently commercialised by Shell Cansolv and Mitsubishi Heavy Industries (MHI-KS).**