In comparison to experimental studies of CE adsorption in zeolites, the number of investigations employing atomistic simulations is relatively limited. Complementing their experiments, Mellot, Chihara and co-workers used Monte Carlo (MC) simulations with empirical force field parameters to investigate the role of guest-guest interactions between coadsorbed TCE molecules on the heat of adsorption in FAU-type zeolites. In subsequent work, they employed different models for zeolite Y, comparing a defect-free model to models containing an acid site (framework proton) and a silanol nest, respectively. For the more silica-rich composition studied (Si/Al ratio = 70), the computed heats of TCE and PCE adsorption were almost independent of the presence of acid sites or silanol nests, differing by not more than 2 kJ mol -1 . Adsorption isotherms were calculated using MC simulations in the grand-canonical ensemble (GCMC), showing satisfactory agreement with experiment.