Binding sites of chlorpheniramine on 1:1 layered kaolinite from aqueous solution.

Interactions between chlorpheniramine (CP), an antihistamine drug used to treat allergy, and kaolinite in aqueous solution were investigated under batch studies and molecular simulations. The CP adsorption was relatively fast with a large rate constant. The CP adsorption capacity on kaolinite was 25 mmol/kg, about the same magnitude of the cation exchange capacity of kaolinite. Molecular dynamic simulation showed that the edges of kaolinite were responsible for the uptake of CP, while a net repulsive interaction between the basal plane and CP molecules was obtained. As the broken bond effect of kaolinite was strongly affected by solution pH via protonation-deprotonation of kaolinite edges, a higher CP adsorption was achieved under neutral to weak alkaline solution. It was the charge density, rather than the surface area, that ultimately controlled the amount of CP adsorption on kaolinite.