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. 2014 Apr 21;7(4):3198–3250. doi: 10.3390/ma7043198

Figure 23.

Figure 23.

Free energy simulation of CO2 adsorption on MIL-53(Cr) at 300 K under various pressure ranges. The blue-colored contour represents the lowest free energy, while the red-colored contour means the highest free energy. The under panel shows the expected framework structure during adsorption, equilibrium and desorption processes. Reprinted with permission from [132]. Copyright 2013 American Chemical Society.