Figure 4: Simulated and experimental CH4 adsorption of Fe-MOFs. | Nature Communications

Figure 4: Simulated and experimental CH4 adsorption of Fe-MOFs.

From: Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal–organic frameworks

Figure 4

(a) Performance plot of deliverable capacities using two different pressure swings. Shown are the predictions for the Fe-MOFs synthesized here (yellow) and in silico predicted structures (green). Red and blue points show PCN-250. Our predicted crystal structures and molecular simulation results can be found in the Supplementary Data 1 and 2. (b–d) Structures of PCN-250 and PCN-250′. (e) Total CH4 adsorption uptake of PCN-250 at 298 K and (f) contours of the computed potential energy surface of adsorbed CH4 in PCN-250. (g) Powder X-ray patterns and (h) N2 adsorption isotherms of PCN-250(Fe2Co) after stability tests.

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