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Ionic liquids have been functionalized to have similarly selective reactions with CO2, and the locations of the tethered groups on either the cation or anion have been shown to provide an additional level of control over the reaction equilibria:5,6 Here, the prolinate anion combines with CO2 to form the carbamate anion on the right, leaving the spectator [P66614]+ phosphonium cation unchanged. And finally, as described further below, solvents that reversibly form ionic liquids in the presence of CO2 have been developed.7 While challenges remain in translating any of these chemistries into a practical separation system, they give a good hint of the potential for designing new approaches to driving gas separations using chemical reactions. Even within a given chemistry, the number of possible chemical permutations is enormous. Combinatorial synthetic methods could provide one way of developing chemical libraries and can be combined with rapid screening to identify candidates. We need similarly efficient approaches to characterize the new absorbents for all the important properties (e.g., isotherms, viscosity, thermal stability, chemical stability) and how these properties change in response to external stimuli, down to the molecular scale, simultaneously, and in situ. Coupling to fully predictive computational models would revolutionize the ability to design candidates with optimized selectivity and efficiency. New computational tools would allow the same range of key properties to be predicted and enable insightful computational “experiments” that would be difficult or even impossible to perform in the laboratory. Coupling computational simulation and experiment is obviously essential to validating models and to developing the physical and chemical insights that would form the basis for the development of new absorbents. A further critical issue is the rate of reaction between absorbent and gas. Water itself can be used to separate CO2 from flue gas through the formation of bicarbonate: CO2 +H2O⇄HCO3– +H+ , but the reaction rate is too low for practical use. Catalysts can be used to speed up this process, as happens in the body (see the sidebar “Carbonic Anhydrase”). Translating this or other catalytic approaches to the challenging environment of a real gas separation will require major advances in chemistry. The large scale of CO2 separations implies the use of large quantities of absorbent, even for the best materials that can be identified. A modest-sized 500 MW power plant produces on the order of 22 kmol CO2/s and would require on the order of 1000 metric tons of absorbent, based on simple order of magnitude estimates. For absorption to be practically useful, then, we need not only to discover new CO2 chemistries but also to discover synthetic strategies for absorbents that have very high atom and energy efficiency from low-cost feedstocks. Can 47PDF Image | 2020 Carbon Capture
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