To provide insight into the temperature trends observed for DUT-49, simulations were completed for a total three temperatures (90 K, 120 K and 150 K). In particular, the amount of gas released during the NGA process demonstrates a fascinating non-monotonic relationship with temperature. The difference in osmotic potential energy between the op and cp phases (corresponding to 104 nm 3 and 50 nm 3 , respectively) can be directly computed from these simulations, as well as the osmotic potential energy barrier from op to cp (Figure ). It is observed that the pressure window for stability of the cp phase (where ∆Ω > 0) is correlated with temperature, due to the entropic effects of condensing gas to a smaller pore structure, and the maximum energy difference is also correlated with temperature. This results in the op → cp phase transitions becoming unfavorable at 150 K, in line with the lack of experimentally observed phase transitions at this temperature. Contrastingly, the minimum barrier height shows a weaker trend with temperature. At 90 K and 120 K, the energy barrier disappears between the states, permitting the op → cp transition. We can alternatively consider these trends with respect to the difference in adsorbed amount in the op and cp phases (Figure ), representing the amount of NGA (NNGA). The cp phase becomes more energetically favorable than the op phase before the crossing point of the individual isotherms at 90 K and 120 K, where there is a greater amount adsorbed in the cp phase than the op phase (N ads,cp > N ads,op ), a testament to the high enthalpy of adsorption present in the cp state. However, we must consider the evolution of the osmotic potential barriers present on this landscape. At 90 K this barrier disappears before the isotherm crossing point, whereas at 120 K the barrier only disappears after the op state has more methane adsorbed than the cp state, necessitating the release of gas and the NGA step. Considering the amount adsorbed in each of the phases when the osmotic potential barrier for the op → cp transition disappears we can predict the amount of NGA (Figure , inset). This relationship between amount of NGA and temperature demonstrates the same non-monotonic trend observed experimentally. This qualitative description outlines how the magnitude of NGA must be a function not only of the difference in osmotic potential, but also the barrier. The barrier and relative potential are both similarly affected by temperature, and for NGA to be present, a barrier must be present when the amount adsorbed in the op phase is greater than cp.