Abstract
Dyes present a significant environmental challenge as major pollutants in wastewater. Their presence in wastewater not only contaminates surface and groundwater but also poses a threat to human health and disrupts the ecological balance. To address this issue, this study investigates the efficacy of nanoscale zero-valent iron (nZVI) in removing Eosin Y (Eo-Y) and Erythrosin B (Er-B) from aqueous solutions. The central composite design (CCD) plan combined with response surface methodology (RSM) is employed to assess its predictive capability. Utilizing nZVI as an adsorbent, the maximum adsorption capacity (qmax) is determined to be 10.81 mg/g for Eo-Y and 10.35 mg/g for Er-B. The adsorption process of Eo-Y and Er-B on nZVI follows a pseudo-second-order kinetic model, indicating chemisorption mechanisms. The removal of Eo-Y and Er-B on nZVI is accurately described by Langmuir and Freundlich adsorption isotherm models. Furthermore, density functional theory (DFT) modeling uncovers the presence of hydrogen bonds and dipole–dipole interactions between the dyes and the adsorbent. Based on the calculated DFT-based descriptors, both Eo-Y and Er-B exhibit small chemical hardness values, suggesting their reactivity. Notably, Eo-Y demonstrates higher hardness compared to Er-B. Overall, the study’s findings demonstrate the remarkable effectiveness of nZVI in removing Eo-Y and Er-B from aqueous solutions.
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The authors are thankful to Dr. Swagata Ghosh, Assistant Professor of English, Kumaraguru College of Arts and Science, Coimbatore, India for editing this manuscript.
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SG: writing—original draft, writing—review and editing, and validation; SA: conceptualization, data curation, methodology, writing—original draft, and writing—review and editing; AM: writing—original draft, and writing—review and editing; LM: writing—original draft, and writing—review and editing; CAI: conceptualization, investigation, data curation, software analysis, writing—original draft, writing—review and editing, supervision, and validation.
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Ghosh, S., Ahmadi, S., Malloum, A. et al. Liquid-phase adsorption modeling of Eosin Y and Erythrosin B dyes onto nanoscale zero-valent iron using response surface and computational methodologies. Sustain. Water Resour. Manag. 9, 160 (2023). https://doi.org/10.1007/s40899-023-00940-0
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DOI: https://doi.org/10.1007/s40899-023-00940-0