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Computational screening of metal-organic frameworks for membrane-based CO2/N-2/H2O separations: best materials for flue gas separation
adsorptioncarbon-dioxidechemistryco2materials-sciencemolecular-dynamics-simulationsscience-and-technology
It has become a significant challenge to select the best metal-organic frameworks (MOFs) for membrane-based gas separations because the number of synthesized MOFs is growing exceptionally fast. In this work, we used high-throughput computational screening to identify the top MOF membranes for flue g
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