Probing the interactions between chlorpheniramine and 2:1 phyllosilicates

► Charge density played an important role on chlorpheniramine (CP) adsorption and retention. ► Cation exchange was the dominant mechanism for CP adsorption on high charge density clays. ► At high adsorption, CP intercalated into the interlayer of montmorillonite. ► Molecular simulation resulted in interactions between N and the negatively charged mineral surfaces.