The Removal of Methylene Blue from Aqueous Solutions Using CuFe2O4/PVP Nanocomposite: An Experimental and Theoretical Study

Articles in Press

Document Type : Research Paper

Authors

1 Department of Chemistry, Faculty of Sciences, Golestan University, Gorgan, Iran

2 Department of Physics, Faculty of Sciences, Golestan University, Gorgan, Iran

Abstract

Colors are one of the major environmental pollutants that lead to ecological problems. Methylene blue cationic dye with a complex aromatic structure is one of the most common dyes for coloring silk, cotton, and wool. In this study, CuFe2O4/PVP nanocomposite was synthesized as an adsorbent for the adsorption of methylene blue from aqueous solutions and was characterized using IR, XRD, and SEM techniques. The study also examined the effects of pH, contact time, and adsorbent mass on the dye's adsorption efficiency. The maximum adsorption efficiency of methylene blue was achieved at a pH of 12, with a contact time of 90 minutes and an adsorbent mass of 1 gram, resulting in an efficiency of approximately 65%. Kinetic studies of the adsorption process were also conducted by applying two models. Kinetic studies demonstrated that the adsorption of methylene blue onto the CuFe₂O₄/PVP nanocomposite conformed well to a pseudo-second-order kinetic model. Density functional theory (DFT) simulations explored methylene blue's interactions and potential adsorption of methylene blue onto the adsorbent. DFT simulations confirmed the stability of methylene blue adsorption on the nanocomposite surface, with binding energies ranging from 0.831 to 0.971 eV. The adsorption of methylene blue also reduced the energy gap, indicating easier electron transmission.

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Iranian Journal of Soil and Water Research

Articles in Press, Accepted Manuscript
Available Online from 14 September 2024

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