In order to guide the reader and allow for comparison, we have assigned colors for indicating the respective CO 2 diffusion coefficient of each structure, even though those diffusivity values were not used to calculate K eff in this plot. We note that many of the materials in the region of interest have very small CO 2 diffusivity values. Such small diffusivity values could lead to significant changes in CO 2 capture performance if accounted for in the process model. For analyzing the change, we have included the microscopic diffusion coefficients in the mass transfer coefficient K eff , see Equation , and recalculated energy cost and productivity for all structures assuming a diffusivity-dependent K eff . The results are shown in the right panel of Figure . We note that high-performance MOFs that were initially located in the region of interest are now excluded by failing to surpass the 95%-purity threshold. In the plot on the right, their initial positions are marked by open symbols. We find that this trend depends on crystallite size, having a smaller impact for R µ = 1 µm, see Figure , and a larger impact for R µ = 100 µm, see Figure . In the lower panel of Figure , we have identified the structures whose process-level performance was most affected. We compare their performance coordinates before and after inclusion of molecular diffusivity for R µ = 1, 10 and 100 µm, respectively. For reference, we plot open symbols in their original positions which were taken from the left panel of Figure . The arrows indicate how MOFs moved out of the high-performance regime once their structure-dependent, molecular diffusivity was included into the calculation of K eff .