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Unlocking the effect of H2O on CO2 separation performance of promising MOFs using atomically-detailed simulations
Metal organic frameworks (MOFs) have been considered as potential adsorbents for adsorption-based CO2/CH4 and CO2/N2 separations because of their high CO2 selectivities and high working capacities. H2O in flue gas and natural gas streams affects the gas uptake capacities of MOFs. However, the presen
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