In Figure , we show diffusion constants from the molecular dynamic simulations performed for above mentioned MOFs and fitted activated diffusion model by lines. VASFON and BETGUE show higher diffusivity for both CO2 and N2 -with diffusion constant between 10 -9 to 10 -8 m 2 /s depending on temperature. On the other hand MOCHIW and EVOMOR show limited a Ideal gas law. b Based on ideal crystal density. c Machine-learning model from Moosavi et al.