Rapid and efficient removal of diclofenac sodium from aqueous solution via ternary core-shell CS@PANI@LDH composite: Experimental and adsorption mechanism study

The efficient removal of Diclofenac sodium (DCF), a nonsteroidal anti-inflammatory drug, has attracted more and more attention. In this work, ternary core-shell [email protected]@LDH composite was synthesized via the in-situ growth of Mg/Al layered double hydroxide plates onto polyaniline-wrapped carbon sphere and applied for DCF removal. Various influence factors like concentration, pH, time, temperature, and background electrolytes were systematically investigated. The maximum adsorption capacity was 618.16 mg/g. Besides, after 5 regeneration cycles, [email protected]@LDH still retained high adsorption capacity. The adsorption mechanism was investigated by Fourier transformed infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy (XPS) characterization analyses. Simultaneously, the Multiwfn program combined the Chimera program was applied to calculate and visualize the localized orbit locator (LOL) of π electrons in DCF− molecule, which explored the π electronic structure and conjugation characteristics of DCF− molecule. Moreover, the Independent Gradient Model (IGM) analysis based on pro-molecular density revealed the interaction sites and interaction strength between DCF and LDH. The adsorption mechanism could be explained through electrostatic interaction and hydrogen bonding between LDH and DCF, π-π interaction between DCF and PANI. It was the synergistic effects of different interactions that improved the adsorption of DCF by [email protected]@LDH composite.