Monte Carlo simulations of water intrusion/extrusion in zeosils Figure reports the adsorption and desorption isotherms of TIP4P water in silicalite-1, chabazite and faujasite zeosils. Given that the force field used for zeosils has been specifically designed to reproduce TIP4P water adsorption isotherm in silicalite-1 zeosil, we confirm the that adsorption isotherm calculated in this work for silicalite-1 is consistent with both previous GCMC simulations and experiments, 9 as shown in Figure . Also, the intrusion pressure are similar for silicalite-1 and chabazite with values of respectively 95 MPa and 90 MPa while for the faujasite, it drops to 65 MPa. We do not expect a perfect agreement between the simulated and experimental intrusion isotherm of water in chabazite and faujasite, given that intrusion pressure is very sensitive to the choice of force field and other structural features such as silanol defects. For instance, the experimental intrusion pressure of water in pure silica chabazite is about 32 MPa, lower than in our work Our results are in qualitative agreement with the Washburn equation, as higher intrusion pressure is correlated with the smaller cage or channel diameter along our series of zeosils. Also, we analyzed the thermodynamics of water intrusion by calculating the adsorption heat q through the relationship: