Throughout this work, zeolites are designated solely by their framework type code (FTC). The 16 frameworks that are in the focus of this study are listed in Table , grouped according to the size of the pore apertures. Four of the frameworks have channel systems lined by 10membered rings of SiO4 tetrahedra (10MR), eight have 12MR pore openings, and two frameworks have pore systems consisting of both 12MR and 10MR channels. Finally, CFI and DON are "extra-large-pore" zeolites with 14MR channels. In addition to these 16 frameworks, the CHA framework was included in validation calculations for N2 and ETH. As this zeolite has 8MR pore openings, larger CEs like PCE cannot diffuse through the pore windows. Preliminary simulations of CE adsorption were performed for three other zeolites having 10MR windows, FER, MEL, and MWW. Unlike for the 16 zeolites listed in Table , interaction energy maps derived from the calculations indicated high energy barriers to diffusion of PCE, the heaviest CE, through the pore openings of these three zeolites. For this reason, FER, MEL, and MWW