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characterized in the working state, at spatial and temporal resolutions commensurate with separation processes. We need to answer basic questions about the liquid-gas system: What effect does dissolved gas have on the structure and properties of a liquid in the bulk and at the interface? What mechanisms, at the molecular level, are available to control selectivity toward one gas over another? What mechanisms govern the rates of gas transport and accommodation into (or out of) a liquid? How do we measure these properties, and how do we describe them in sufficient detail to guide the design of separation systems? (See the sidebar “Interfacial Reactions.”) • Governing structure–property relations must be understood at a sufficient level of chemical and physical detail to enable rational absorbent material design. How do we go from basic molecular-level understanding to predictive models of physical and chemical absorbent properties? How do we design new absorbents based on this knowledge? • The toolkit of approaches for driving separations must be radically expanded to encompass new chemistries, new classes of materials, and new physical and chemical switches that go beyond the traditional thermal and pressure swings. How can chemistry (and biochemistry) be exploited to efficiently and selectively separate one gas from others? What sorts of triggers can we use to turn the absorption of a gas either on or off? Can these triggers take advantage of otherwise wasted energy, or alternative energy sources, such as solar? • Approaches must be developed to synthesize absorbent materials quickly at the lab scale and economically at the very large scales necessary for carbon capture. How can the discovery of new chemistries and preparation of new compounds be accelerated? How can highly selective, functional materials be prepared from abundant resources? • New computational methods are needed to enable the rational design of new absorbents and to understand, at the molecular level, the physical and chemical processes that are critical to highly selective and efficient separations. How can computation at all levels be leveraged to accelerate discovery? Real-world separations, such as the separation of CO2 from combustion streams or O2 from air, are invariably complex, multivariate problems; and one absorbent will never be uniquely and universally optimal. Rather, an additional opportunity is to develop methods that produce virtual suites of absorbents, to fundamentally interconnect the optimization of material and application. The need for new approaches to CO2 separation compounds has been recognized in the last several years and has resulted in the discovery of several tantalizing new approaches, such as task-specific ionic liquids,6,7 “switchable” solvents (see the sidebar “Switchable Solvents”),8 and “frustrated” acid-base pairs.9 These discoveries have been largely ad hoc and have yet to make a serious dent in the overall problem. They indicate, though, the potential for revolutionary new advances given sufficient resources and concerted scientific effort. Conclusion Liquids-based absorption separation is a proven approach that, with properly tailored absorbents, has the potential to achieve outstanding efficiencies in gas separation in general 13PDF Image | 2020 Carbon Capture
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