Article Dans Une Revue Journal of Molecular Liquids Année : 2024

Advanced green peel utilization for efficient methylene blue removal: Integrated analysis and predictive modeling

Résumé

This study explores the adsorption of Methylene Blue (MB) onto Green Peel (GP) material, utilizing advanced analytical techniques and modeling approaches. Fourier-transform infrared spectroscopy (FT-IR) confirms GP’s effectiveness as an adsorbent. The study systematically examines the influence of key factors such as adsorbent dose, pH, MB concentration, and temperature on adsorption efficiency. Among the isotherm models analyzed, the monolayer with double energy (M2) model is identified as the most accurate for describing MB adsorption onto GP. Steric parameters provide insights into the adsorption mechanism, revealing temperature-dependent changes. Thermodynamic analysis indicates an exothermic adsorption process, with a decrease in adsorption capacity at elevated temperatures. Density Function Theory (DFT) analysis highlights the potential for electron transfer during adsorption, contributing to a deeper understanding of the process. Molecular Dynamic Simulation (MDS) uncovers stable adsorption configurations and reveals the significance of chemical interactions and Van der Waals forces. Gaussian Process Regression with Lévy Flight Distribution (GPR_LFD) demonstrates exceptional predictive accuracy, closely aligning experimental and predicted MB uptake values. Optimal adsorption conditions (30 min contact time, 0.6 g adsorbent dose, 400 mg/L initial MB concentration, pH 6.6, and 10 °C) yield an adsorption capacity of 207.90 mg/g. The integration of LFD optimization and GPR prediction through a MATLAB interface further enhances the practical application of these findings. This comprehensive investigation not only advances the understanding of MB adsorption onto GP but also highlights GP’s potential as an efficient, reusable adsorbent.
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Dates et versions

hal-04708759 , version 1 (27-09-2024)

Identifiants

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Oumnia Rayane Benkouachi, Abdallah Bouguettoucha, Hichem Tahraoui, Abderraouf Guediri, Derradji Chebli, et al.. Advanced green peel utilization for efficient methylene blue removal: Integrated analysis and predictive modeling. Journal of Molecular Liquids, 2024, 413, pp.125951. ⟨10.1016/j.molliq.2024.125951⟩. ⟨hal-04708759⟩
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