Abstract
With more and more emerging organic contaminants (EOCs) detected in the soil and groundwater, researches on interactions between these pollutants and soils or aquifer materials have attracted greater concerns. In this study, the removal of chlorpheniramine maleate (CP), an antihistamine drug used to treat rhinitis and urticaria, by birnessite, which is a common layered manganese oxide, in aqueous solution was investigated by batch studies, X-ray diffraction (XRD) and Fourier transform infrared (FTIR) analyses, and molecular simulations. The quantum mechanics simulation showed that the final energy of the interaction between CP and the (010) edge surfaces under a strong alkaline condition was much smaller than that under a neutral to slightly alkaline condition. A higher CP adsorption were achieved from neutral to weak alkaline solution, as the broken bond effect of birnessite was strongly influenced by solution pH by protonation and deprotonation of birnessite edges.
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