Efficient removal of hazardous dye from aqueous solutions using magnetic kaolinite nanocomposite: Experimental and Monte Carlo simulation studies
Hamza Ighnih, Redouane Haounati, Hassan Ouachtak, Abdelmajid Regti, Brahim El Ibrahimi, Naima Hafid, Amane Jada, Mohamed Labd Taha, Abdelaziz Aït Addi
Abstract
This study presents the synthesis and characterization of a novel magnetic kaolinite nanocomposite, CoFe 2 O 4 @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 performance of the CoFe 2 O 4 @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 (R 2 = 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 CoFe 2 O 4 @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 CoFe 2 O 4 @Kaol. Overall, this research highlights the potential of CoFe 2 O 4 @Kaol as a highly effective adsorbent for the removal of MB from aqueous media, emphasizing its significant findings.