Structural simulation and performance evaluation of a novel synthesized ZIF in the adsorption of MO from aqueous solutions.

Zeolitic imidazolate frameworks (ZIFs) are desirable materials widely applied as adsorbent for wastewater treatment. This study synthesizes and applies a novel structured ZIF with organic ligand of 2-methyl imidazole and metal salt of copper (II) sulfate as adsorbent. Its morphology and structure were investigated using Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscope, field emission scanning electron microscope, energy dispersive X-ray spectrometry, and mapping analysis. After structural analysis, the adsorbent structure was simulated and determined using Avogadro and Gaussian software. The removal efficiency of prepared ZIF in the removal of methyl orange from aqueous solution was evaluated. The effect of pH, the concentration of the dye in solution, dosage of the adsorbent, and the contact time between adsorbent and solution on the methyl orange removal were examined using central composite design of response surface methodology in five levels. The maximum dye removal of 99% was obtained for 2 g adsorbent/L, pH of 3.3, and initial dye concentration of 121 mg/L after 127 min contact time. In addition, to reduce the economic costs and energy consumption, the synthesis time was also reduced and used to show the applicability of the adsorbent prepared and understand its advantages and disadvantages in removing methyl orange dye from aqueous solutions. This molecular adsorbent is stable, and it can be stored for months. On the other hand, this ZIF can be easily recovered and reused many times. In this research, after five times of recovery, there was no significant change in the effectiveness of the adsorbent.