Because disinfectants have been essential during the COVID-19 pandemic, the global demand for benzalkonium chlorides (BACs) has significantly increased. BACs can inactivate coronaviruses, but are known as toxic. In this study, we investigated the adsorption mechanisms of BAC12, BAC14, and BAC16 in water using powdered activated carbon (PAC). The effects of the reaction time, pH, and temperature on the adsorption kinetics of BACs were examined. The adsorption reaction followed pseudo-second-order kinetics, and better fitted to the Langmuir isotherm than the Freundlich isotherm. The best adsorption of BACs was achieved at neutral pH conditions. Thermodynamic analysis revealed that adsorption of BACs onto PAC is a spontaneous and endothermic process. Competitive adsorption experiments revealed that BACs with longer alkyl chains were adsorbed more effectively onto PAC than shorter alkyl chain BACs, implying that, while the electrostatic interaction is an important adsorption mechanism for BAC12, van der Waals interaction plays a more important role during the adsorption of BAC14 and BAC16. Finally, we observed the partial detoxification (69%) BAC in adsorption treated water with PAC using a Microtox test.