From Fig. in Skoulidas et al. , it can be seen that at low pressures the CO 2 gas resides essentially completely within the outer potential band. Then, as higher pressures are considered in the simulation, gas begins to leak from this outer band into the interior of the pore. Judging from this figure, this transition occurs between 1.0 and 10.0 bar. It would be useful to be a able to estimate the maximum pressure that the outer band can hold before leakage. The hope is that this result would be general and could then be used to predict the maximum pressure to fill only the outer most band in any similar nanopore.