Furthermore, previous work indicates that SAA sorption onto SOM is strongly composition-dependent 15,50 . This behavior was not observed in the present study, probably because the high water content favored SAA partitioning into the aqueous phase. Future work on varying water content or pH with coarse-grained simulations may further clarify these differences. Regarding HCB, DFT calculations on HCB-SOM interactions revealed that it strongly binds to functional groups such as alkylated aromatics, phenol, and lignin . In the present study, similar contributions from aromatic, alkane, and phenol groups were evident in the binding of HCB.