Ahunbay and Jeffroy et al. employed MC simulations to rationalize steps in the PCE adsorption isotherms obtained for MFI-type adsorbents, with the former author also using molecular dynamics (MD) simulations to predict TCE and PCE diffusion coefficients. The role of Si/Al ratio and of water co-adsorption on TCE adsorption was investigated, again for the case of MFI-type zeolites, by means of GCMC simulations. As in earlier studies, it was observed that hydrophilic areas (acid sites) in the zeolite structure have only a limited impact on the affinity towards TCE, while reducing the available pore space due to the preferred adsorption of water in these regions. A computationally efficient approach based on the calculation of Henry's law constants (dubbed "Henry constants" in the following) through random insertion was pursued by Yazaydin and Thompson. These authors compared the affinities of four zeolites (MFI, BEA, FAU, MOR) to 1,1-DCE, proposing BEA as most promising adsorbent for 1,1-DCE removal due to its high Henry constant (= high affinity).