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Expertise and new capabilities in synthesis, characterization, and theory need to be fully coupled to meet the challenges of developing new carbon capture strategies. Characterization plays the ultimate role of validating the theory and simulation that will ultimately allow us to design the best possible material or chemical process based on required performance properties. But theory can also be used to shine the light on new materials and processes, guiding the synthesis of new materials (see the sidebar “Connecting Theory and Experiment.” We are a long way from realizing this vision, and the concerted and integrated attack of the synthesis, characterization, and simulation triumvirate on carbon capture processes must be emphasized. The expected outcomes are tunable materials with localized dynamics ideally suited for capture, release, and transport control, and materials with hierarchical textures optimized for carbon capture, release, and separation. Connecting Theory and Experiment: Polymeric CO2 under Extreme Environments When CO2 is captured, it can form many different types of extended solids, depending on the pressure and temperature at which it is stored. Understanding and predicting which morphology it will adopt is important for knowing the energy cost and density at which it will be captured. The way to visualize these structures is by using a phase diagram, but it can be quite difficult to map an entire phase diagram. The one shown here was done using synchrotron XRD and Raman spectroscopy.9 The phase diagram is also necessary for testing theory and computation to ensure that the predicted energetics are correctly modeled. Thus it provides guidance for designing novel materials. Phase V Phase I High P-T 98PDF Image | 2020 Carbon Capture
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