Natural sepiolite (SEP) has the characteristics of cation exchange, abundant reserves, low cost, and environmental friendliness, but its adsorption capacity for heavy metal pollutants is limited. Because polydopamine (PDA) molecules contain rich functional groups such as phenolic and amino groups, in the present work, dopamine and natural sepiolite were utilized as raw materials to prepare polydopamine-modified sepiolite composite (SEP/PDA) by simple co-precipitation method. According to Langmuir isotherm model, the maximum adsorption capacity of SEP/PDA for Cd2+ can reach 203.21 mg/g at 298 K. At the initial concentration of 100 mg/L, the adsorption capacity was 2.9 times that of natural sepiolite. The composite material has good reusability and anti-cationic interference performance and has 100 % removal ability of low concentration Cd2+ in actual electroplating wastewater. Density Functional Theory (DFT) calculations were performed to obtain the electronic structure information. To elucidate the microscopic mechanism, molecular surface analyses, Interaction Region Indicator (IRI), Atom In Molecules (AIM) theory, Bond Order Density (BOD), and Electron Localization Function (ELF) were conducted. These analyses revealed that the amino nitrogen and phenolic oxygen atoms in the dopamine molecules donate lone pair electrons to coordinate with cadmium ions. Polydopamine, which possesses multiple oxidation states, contains catechol, quinone, and indole or a lesser extend pyrrole groups that can complex with cadmium ions, resulting in the formation of a surface complex. This coordination significantly enhances the adsorption properties of the SEP/PDA composite.
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