Molecular simulations were carried out to study the adsorption of CEs and ETH in a structurally diverse set of all-silica zeolites, with the discussion of the results focusing on VC and, most prominently, TCE and PCE. The Henry constant simulations performed in the first part of the study showed wide variations in affinity, highlighting the important influence of pore topology on the interaction with CEs. Due to the limited computational expense, such simulations could straightforwardly be extended to include other zeolite frameworks and/or other (emerging)