the pre-exponential factor, and ∆𝐻 , [𝐽 𝑚𝑜𝑙 ] is the heat of adsorption. The DSL model parameters are determined by nonlinear least-squares regression against the GCMC adsorption data at all three temperatures using the lmfit.minimize() function in python. We apply the following constraints during the fitting to obtain physically meaningful DSL model parameters. We enforce that the saturation capacity of each site is equal for both CO2 and N2 to satisfy the thermodynamic consistency requirements. We designate the CO2 adsorption site 1 as being the stronger adsorbing site by imposing the 𝑏 > 𝑏 condition.