A Dual–mode Sorption Model for Selective Ion Partitioning in Ligand-Functionalized Polymer Membranes

Ion-selective ligand-functionalized polymer membranes (LFPMs) are promising materials for critical mineral (CM) industrial wastewater refining, but the effect of ligand identity on LFPM selectivity remains poorly described. We developed a dual–mode sorption (DMS) model for cation partitioning to quantitatively describe how ligand identity modulates cation selective partitioning in LFPMs. In this study, we trained a machine learning model to interpolate a sparse aqueous ion–ligand affinity (∆G Io