Ligand and Charge Distribution Modeling of Natural Organic Matter Adsorption on Metal (Hydr)oxides: State-of-the-art

Surface complexation modeling (SCM) stands as a valuable tool to elucidate and comprehend interactions between adsorbates and adsorbents. In the realm of natural systems, it has found frequent application in characterizing ion adsorption to both metal (hydr)oxides and natural organic matter (NOM). In soil, metal (hydr)oxides and natural organic matter coexist, are closely associated, and organized in organo-oxide aggregates. The intricacies of the interaction between NOM and metal (hydr)oxide surfaces as well as the corresponding interfacial distribution of NOM remain insufficiently understood. There is a need to develop mechanistic surface complexation models to enhance our comprehension of these complex phenomena.