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degree of ordering can be characterized quite readily through scattering techniques and the structures transferred to molecular models. The situation is less straightforward for polymeric systems, which are typically highly heterogeneous (Figure 30). Differences in process conditions may contribute to macromolecular structure differences and inhomogeneities in the polymer. The driving forces leading to these heterogeneous structures are not currently well known. The nonequilibrium state of glassy polymers often cannot be predicted because it depends on the processing conditions used to create the material. The situation is further complicated by the need to represent dominating physical and chemical characteristics, such as diffusion, porosity, tortuosity, and density of the polymer or polymer blend. An area of new development in the field of carbon capture materials is the potential use of composite and mixed-matrix materials. These composite materials may include a large number of potential material and chemical combinations such as carbon nanotubes, composite polymer nanoparticles, and copolymers. These composite materials can exhibit complex structures (Figure 31) and chemistry. Developing a rational approach for selecting composites or mixed-matrix materials and optimizing their performance would provide a way to narrow down the immense number of potential combinations of materials that could, in principle, be incorporated into the composites and select a smaller set of candidates with the most promising properties. Figure 31. Scanning electron microscopy image of a poly-benzimidazole-based polymeric-metallic composite membrane cross section. The polymeric selective layer is the thin skin at the surface of the composite structure. Source: National Energy Technology Laboratory, “Thermally Optimized Membranes for Separation and Capture of Carbon Dioxide,” Project Fact Sheet, 2008, http://www.netl.doe.gov/ publications/factsheets/project/Proj194.pdf. Figure 30. Snapshot from a coarse- grained simulation of an entangled DNA polymer system featuring flexible polymers in a computer- generated periodic box. The “test” molecule (orange) is undergoing close frictional interactions (entanglements) with the shaded molecules; thus the test chain is undergoing reptation or snake- like motion. The lighter chains are free of the test chain. Source: A. Dambal, A. Kushwaha, and E. S. G. Shaqfeh, “Slip- link simulations of entangled, finitely extensible, wormlike chains in shear flow,” Macromolecules 42(18), 7168 (2009). 104PDF Image | 2020 Carbon Capture
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