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NOVEL SOLVENTS AND CHEMISTRIES Abstract Gas separation via absorption is intimately connected with the physical and chemical properties of the gas–liquid system. The goal of this PRD is to develop the fundamental insights necessary to exercise exquisite control over this combination. Achieving this goal will require deep understanding of complex gas–liquid systems, especially the factors that govern selectivity and solubility, determine non-ideal behavior, and determine other important physical properties. It will require the ability to model, simulate, and predict these properties. It will require us to be able to discover liquid systems with chemistries carefully optimized to particular separations. And most important, it will require that we be able to close the loop, to combine experimental and theoretical insights to design and synthesize highly efficient and robust liquid separation systems. Background and Motivation The physical and chemical properties of a liquid absorbent are key to its performance in a gas separation. As shown in Figure 13, the absorbent, A, must be able to accommodate the targeted gases, in this case, CO2, to the exclusion of others, typically as a result of differences in physical solubility. This physical solubility is controlled by the intermolecular interactions among absorbent molecules themselves and between absorbents and gases. These interactions are generally understood for simple fluids but not nearly as well for fluids as structurally and compositionally complex as those of interest for gas separations. It is further advantageous to have the absorbent chemically react with a target gas, such as CO2, to increase solubility. The isotherms that describe the absorption and desorption of gases, and the rates of transfer to and from the liquid phase, are ultimately controlled by these interactions and mechanisms. Figure 13. Schematic of CO2 selectively isolated by dissolving in a liquid and its subsequent chemical reaction with absorbent, A. CO2, represented by the one atom of carbon (gray) and two atoms of oxygen (red), is initially in a mixture of O2, two red atoms, and N2, two blue atoms. 43PDF Image | 2020 Carbon Capture
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