The parametrization of the coarse-grained pollutants and SOM models was conducted within the framework of the Martini 3 force field, which offers a wide range of available topologies for, e.g., small molecules 61 , biomolecules , or carbon materials . In previous work , coarse-grained SOM systems based on VSOMM2 structures were introduced, employing an automated parametrization approach to the generation of the models. The parameters of the coarse-grained models were validated against structural properties, such as the solvent-accessible surface area, and thermodynamic data, using transfer free energies. Details about the parametrization procedure used for the pollutant molecules can be found in Section S1 of the Supporting Information (SI).