Simulations with rigid pores were carried out to understand the impact of the dynamic motion of C=O on gas transport. In the rigid case, pore-10 and pore-13 were found to be impermeable (Figure ). For pore-16, while the CO2 permeation event is observed from the rigid pores, the translocation rate is underestimated by an order of magnitude (Figure ). A similar flux underestimation was observed for the CO2/N2 case (Figure ). This demonstrates that neglecting functional group dynamics for graphene pores leads to highly erroneous results, making highly permeable and selective pores impermeable. , (e) pore-13, (f) pore-16, and O2 molecules from (g) pore-16. The porous graphene is located at z = 0, and the regions z > 0 and z < 0 depict the feed and permeate sides, respectively. Free energy barriers (∆AT) for the translocation of (h) CO2 through pore-10, pore-13, and pore-16 and (j) CO2 and O2 through pore-16. Translocation rates of CO2 as a function of temperature through porous graphene hosting dynamic and rigid (j) pore-10, (k) pore-13, and (l) pore-16.