The present work addresses the adsorption of TCS in zeolites, employing, by and large, a similar approach as this previous study. As for CBZ, the investigation is restricted to zeolites having 12MR or 14MR pore openings, as experimental findings indicate that zeolites with smaller pores do not adsorb appreciable amounts of TCS. A somewhat smaller number of purely siliceous zeolite is considered here, including six, rather than eleven, frameworks. Apart from studying a different guest molecule, the present study goes beyond the previous work in the following respects: First, preliminary FF-based simulations are used to corroborate that TCS can diffuse through the pores of these zeolites. Second, the focus is no longer exclusively on all-silica zeolites, but models of highly siliceous, protonated zeolites are also considered for FAU and MOR topologies. Third, the co-adsorption of water, neglected in the previous study, is investigated for selected systems. In addition to providing atomic-level insights into TCS adsorption, the calculations allow predictions how pore size, pore shape, and framework composition affect the performance of hydrophobic zeolites as adsorbents for TCS removal.