Efficient removal of hazardous dye from aqueous solutions using magnetic kaolinite nanocomposite: Experimental and Monte Carlo simulation studies

This study presents the synthesis and characterization of a novel magnetic kaolinite nanocomposite, CoFe2O4@Kaol, for the efficient removal of methylene blue (MB) dye from aqueous solutions. Physicochemical properties of the nanocomposite were characterized using XRD, FTIR, SEM, and EDX. The adsorption perfor-mance of the CoFe2O4@Kaol nanocomposite was systematically investigated by varying adsorbent dosage, contact time, pH, temperature, and initial dye concentration. Remarkably, the nanocomposite exhibited a high adsorption capacity of 175.28 mg g  1 at pH 10 and a contact time of 60 min. The Langmuir model accurately described the adsorption isotherms. The adsorption kinetics followed the pseudo-second-order kinetic model (R2 = 0.999). Thermodynamic analysis revealed the spontaneous and exothermic nature of the MB removal process. Notably, Monte Carlo simulations integrated with a simulated annealing algorithm demonstrated the superior affinity of the CoFe2O4@Kaol nanocomposite for MB adsorption compared to unmodified kaolinite adsorbent. The study elucidated the synergistic effects of hydrophilic interactions and hydrogen bonding at the interface between MB and CoFe2O4@Kaol. Overall, this research highlights the potential of CoFe2O4@Kaol as a highly effective adsorbent for the removal of MB from aqueous media, emphasizing its significant findings.

Automated summary

This study synthesized and characterized a novel magnetic kaolinite nanocomposite, CoFe2O4@Kaol, for efficient removal of methylene blue (MB) dye from aqueous solutions. The physicochemical properties of the nanocomposite were investigated, and its adsorption performance was systematically studied. The results showed that the CoFe2O4@Kaol nanocomposite exhibited high adsorption capacity and superior affinity for MB adsorption compared to unmodified kaolinite adsorbent. The study also elucidated the synergistic effects of hydrophilic interactions and hydrogen bonding in the MB-CoFe2O4@Kaol interface.