Preparation and characterization of magnetic nanocomposites for removal of organic dye Rhodamine B

By utilizing the in situ polymerization reaction of o-tolidine and p-phthalaldehyde, magnetic inorganic/organic hybrid materials were synthesized. Various characterization techniques were employed to analyze the morphology and phase composition of the materials. Using Rhodamine B as a characteristic pollutant, it was found that the maximum adsorption capacity of the materials reached 171.59 mg/g. Density functional theory (DFT) calculations were conducted on different adsorption configurations, revealing that the adsorption process is primarily dominated by π–π interactions, alongside electrostatic attraction and donor–acceptor interactions. This provides a theoretical basis for the subsequent design and preparation of more efficient adsorption materials.