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

到2050年，大气中的二氧化碳水平预计将上升到450ppm以上，导致气候模式变化导致全球变暖加速。这些变化导致干旱、森林火灾、更频繁和更严重的飓风。预计加拿大2030年的排放量将比预计的一切照旧情况下减少1.3亿吨。这大约是实现加拿大2030年排放目标所需减排的一半。需要采取更多措施来弥合剩余的差距。在最近的一份报告中，国际能源署发现，到2050年，碳捕获和封存(CCS)可以使全球二氧化碳排放量减少19%，而如果没有CCS，应对气候变化的成本可能会高出70%以上。*拟议的研究计划旨在帮助寻找第三代碳捕获技术。本研究的目的是合成、表征和模拟新的有前景的溶剂、官能化吸附剂和它们的混合物。该研究计划分为两个主要主题：溶剂和脱硫剂开发。这些主题被细分为六个目标：(A)将合成新的胺基深度共晶溶剂(DESS)。(B)将筛选二胺水溶液/离子液体或DESS的混合物，以获得最大的二氧化碳吸收能力。(C)最好的离子液体将用于浸渍固体吸着剂，如金属有机骨架和介孔材料。这些产品将接受二氧化碳容量和对氮气的选择性测试。(D)我们还打算使用新的DESS来功能化脱硫剂。(E)根据我们与胺打交道的长期经验，我们将选择最好的胺来浸渍最好的脱硫剂。(F)在他的研究中将使用计算模型，通过研究二氧化碳与溶剂以及浸渍的吸附剂之间的分子间相互作用，帮助理解吸收或吸附的机制。筛选结果将被用于定向合成待合成的虚拟吸附剂。从长远来看，使用两种不同的溶剂来浸渍吸附剂也是有意义的。多壁碳纳米管(MWCNT)将被添加到最好的介孔吸附剂中，以优化其在潮湿环境中捕获二氧化碳的能力。然后将该复合吸着剂浸入一种溶剂。最后，除了二氧化碳，还将研究烟道流中发现的其他气体，如N2O、SO2和O2，以模拟真实植物中的实际环境。*这项研究的最终目标是用比壳牌Cansolv和三菱重工(MHI-KS)目前商业化的胺溶剂更高容量、更好稳定性、更低再生热和更低成本的第三代官能化吸附剂来取代第二代碳捕获技术(基于胺的)。**

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).**