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Lookup NU author(s): Dr Jie ZhangORCiD
This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).
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 minutes 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.
Author(s): Benkouachi OR, Bouguettoucha A, Tahraoui H, Guediri A, Chebli D, Kebir M, Knani S, Zhang J, Amrane A
Publication type: Article
Publication status: Published
Journal: Journal of Molecular Liquids
Year: 2024
Pages: epub ahead of print
Online publication date: 12/09/2024
Acceptance date: 05/09/2024
Date deposited: 11/09/2024
ISSN (print): 0167-7322
ISSN (electronic): 1873-3166
Publisher: Elsevier
URL: https://doi.org/10.1016/j.molliq.2024.125951
DOI: 10.1016/j.molliq.2024.125951
ePrints DOI: 10.57711/jmre-s451
Data Access Statement: Data will be made available on request.
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