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. 2021 Aug 25;60(35):12999–13012. doi: 10.1021/acs.iecr.1c01742

Table 1. Calculation of Metrics Used to Assess Adsorption- and Membrane-Based Gas Separation Performances of COFsa.

metrics formula
adsorption selectivity
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working capacity (mol/kg)
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adsorbent performance score (mol/kg)
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percent regenerability
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diffusion selectivity
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membrane selectivity
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permeability (Barrer)
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a

i: Selected component, CH4 for CH4/H2 and CH4/N2 mixtures, C2H6 for the C2H6/CH4 mixture. Nads (mol/kg): Gas uptake at adsorption conditions. Ndes (mol/kg): Gas uptake at desorption conditions. y: Composition of the gas species in the bulk phase. f (Pa): Partial pressure of gas species in the mixture. c (mol/m3): Gas loading obtained from GCMC simulations. D (m2/s): Self-diffusivity of gas obtained from MD simulations. 1 Barrer = 3.348 × 10–16 mol·m/(m2·s·Pa).