Exploring the Efficiency of Algerian Kaolinite Clay in the Adsorption of Cr(III) from Aqueous Solutions: Experimental and Computational Insights
Karima Rouibah,
Hana Ferkous,
Meniai Abdessalam-Hassan,
Bencheikh Lehocine Mossab,
Abir Boublia,
Christel Pierlot,
Amdjed Abdennouri,
Ivalina Avramova,
Manawwer Alam,
Yacine Benguerba,
Alessandro Erto
Affiliations
Karima Rouibah
Laboratory of Materials-Elaborations-Properties-Applications, Department of Process Engineering, University Mohammed Seddik Benyahia, Jijel 18000, Algeria
Hana Ferkous
Laboratoire de Génie Mécanique et Matériaux, Département de Technologie, Faculté de Technologie, Université 20 Août 1955 de Skikda, Skikda 21000, Algeria
Meniai Abdessalam-Hassan
Laboratory of Environmental Process Engineering, Faculty of Process Engineering, University of Constantine 3, Constantine 25000, Algeria
Bencheikh Lehocine Mossab
Laboratory of Environmental Process Engineering, Faculty of Process Engineering, University of Constantine 3, Constantine 25000, Algeria
Abir Boublia
Laboratoire de Physico-Chimie des Hauts Polymères (LPCHP), Département de Génie des Procèdes, Faculté de Technologie, Ferhat Abbas Setif 1 University, Setif 19000, Algeria
Christel Pierlot
Laboratoire UCCS-Unité de Catalyse et Chimie du Solide, National Graduate School of Engineering Chemistry of Lille (ENSCL), 59650 Villeneuve-d’Ascq, France
Amdjed Abdennouri
Laboratoire de Catalyse, Bioprocédés et Environnement, Université 20 Août 1955 de Skikda, BP 26, Route El Hadaik, Skikda 21000, Algeria
Ivalina Avramova
Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Block 11, Acad. G. Bonchev Str., 1113 Sofia, Bulgaria
Manawwer Alam
Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Yacine Benguerba
Laboratory of Biopharmaceutical and Pharmacotechnical (LBPT), Ferhat Abbas Setif 1 University, Setif 19000, Algeria
Alessandro Erto
Dipartimento di Ingegneria Chimica, Dei Materiali e della Produzione Industriale, Università Di Napoli Federico II, P.le Tecchio 80, 80125 Napoli, Italy
The current study comprehensively investigates the adsorption behavior of chromium (Cr(III)) in wastewater using Algerian kaolinite clay. The structural and textural properties of the kaolinite clay are extensively characterized through a range of analytical methods, including XRD, FTIR, SEM-EDS, XPS, laser granulometry, N2 adsorption isotherm, and TGA–DTA. The point of zero charge and zeta potential are also assessed. Chromium adsorption reached equilibrium within five minutes, achieving a maximum removal rate of 99% at pH 5. Adsorption equilibrium is modeled using the Langmuir, Freundlich, Temkin, Elovich, and Dubinin–Radushkevitch equations, with the Langmuir isotherm accurately describing the adsorption process and yielding a maximum adsorption capacity of 8.422 mg/g for Cr(III). Thermodynamic parameters suggest the spontaneous and endothermic nature of Cr(III) sorption, with an activation energy of 26.665 kJ/mol, indicating the importance of diffusion in the sorption process. Furthermore, advanced DFT computations, including COSMO-RS, molecular orbitals, IGM, RDG, and QTAIM analyses, are conducted to elucidate the nature of adsorption, revealing strong binding interactions between Cr(III) ions and the kaolinite surface. The integration of theoretical and experimental data not only enhances the understanding of Cr(III) removal using kaolinite but also demonstrates the effectiveness of this clay adsorbent for wastewater treatment. Furthermore, this study highlights the synergistic application of empirical research and computational modeling in elucidating complex adsorption processes.
