Elucidating adsorption mechanisms of benzalkonium chlorides (BACs) on polypropylene and polyethylene terephthalate microplastics (MPs): Effects of BACs alkyl chain length and MPs characteristics

Since the onset of the COVID-19 pandemic, there has been an increase in the use of disposable plastics and disinfectants. This study systematically investigated the adsorption behavior and mechanisms of benzalkonium chlorides (BACs), commonly used disinfectants, on polypropylene (PP) and polyethylene terephthalate (PET) microplastics (MPs), considering various factors, such as characteristics of MPs, alkyl chain length of BACs, and environmental conditions. Our results demonstrated a higher adsorption capacity for PP -MPs with relatively hydrophobic properties compared to PET -MPs, where longer alkyl chains in BACs (i.e., higher octanol-water partition coefficients, Kow) significantly enhanced adsorption through hydrophobic interactions. The inverse relationship between particle size of MPs and adsorption was evident. While changes in pH minimally affected adsorption on PP -MPs, adsorption on PET -MPs increased with rising pH, highlighting the influence of pH on electrostatic interactions. Moreover, MP aging with UV/H2O2 amplified BAC adsorption on PP -MPs due to surface oxidation and fragmentation, whereas the properties of PET -MPs remained unaltered, resulting in unchanged adsorption capacities. Spectroscopy studies and density functional theory (DFT) calculations confirmed hydrophobic and electrostatic interactions as the primary adsorption mechanisms. These findings improve our understanding of MPs and BACs behavior in the environment, providing insights for environmental risk assessments related to combined pollution.