Since the simulation of the CO2 adsorption in ZIF-8 for the ZIF-8 HP (high-pressure phase) and ZIF-8 AP (conventional phase) structures - as defined in [1] - gave similar results [2], Molecular Dynamics (MD) has been applied to decide which of these two structures exists at which CO2 pressure. MD simulations with flexible lattice show that a transition from the ZIF-8 AP to the ZIF-8 HP structure takes place at extremely high CO2 pressure, i.e. at high loading. (C) 2016 Published by Elsevier B.V.