Metrics for Evaluation and Screening of Metal–Organic Frameworks for Applications in Mixture Separations

, termed as the separation potential and calculable from ideal adsorbed solution theory, quantifies the maximum productivity of a component that can be recovered in either the adsorption or desorption cycle of transient fixed bed operations. As a result of intracrystalline diffusion limitations, the transient breakthroughs have distended characteristics, leading to diminished productivities in a number of cases. This article also highlights the possibility of harnessing intracrystalline diffusion limitations to reverse the adsorption selectivity; this strategy is useful for selective capture of nitrogen from natural gas.