From the equilibrium adsorption perspective, these conditions of the bulk gas systems may correspond to very different loading regimes on the adsorption isotherm, potentially altering both adsorption and transport mechanisms. To illustrate this further, snapshots of the mixture and single-component NE-DCVMD are included in the SI. Furthermore, in the single-component scenario, interactions between CO 2 and N 2 are absent; consequently, effects related to molecular loading, packing, and intermolecular interactions between them are not accounted for, which could potentially impact the separation performance. Ultimately, this comparison aims at evaluating whether ideal permeability and perm-selectivity from single-component measurements adequately represent the actual separation processes with multicomponent gases. While the current statistical uncertainty in molecular simulations does not allow us to conclusively answer this question, the preliminary findings indicate that this is not a trivial issue and it should be explored further.