Enhancing adsorptive performance of Cu-Al layered double hydroxides from aluminum saline slags: Insights from response surface methodology and molecular dynamic simulation

Boulahbal, Aziza Imene; Santamaría Arana, Leticia; Bourzami, Riahd; Bendrihem, Aymene Salah; Boutahala, Mokhtar; Korili, Sophia A.; Gil Bravo, Antonio

Enhancing adsorptive performance of Cu-Al layered double hydroxides from aluminum saline slags: Insights from response surface methodology and molecular dynamic simulation

dc.contributor.author	Boulahbal, Aziza Imene
dc.contributor.author	Santamaría Arana, Leticia
dc.contributor.author	Bourzami, Riahd
dc.contributor.author	Bendrihem, Aymene Salah
dc.contributor.author	Boutahala, Mokhtar
dc.contributor.author	Korili, Sophia A.
dc.contributor.author	Gil Bravo, Antonio
dc.contributor.department	Ciencias	es_ES
dc.contributor.department	Zientziak	eu
dc.contributor.department	Institute for Advanced Materials and Mathematics - INAMAT2	en
dc.date.accessioned	2024-12-09T11:09:14Z
dc.date.available	2024-12-09T11:09:14Z
dc.date.issued	2024-12-01
dc.date.updated	2024-12-09T11:01:24Z
dc.description.abstract	This study aims to optimize the adsorption process of gallic acid (GA) on Cu-Al layered double hydroxides (LDHs) synthesized via a co-precipitation method at various pH levels. The procedure is based on the adsorption of organic pollutants from aqueous solutions, with evaluations carried out based on operational parameters such as pH, initial concentration, and adsorbent quantity. Two series of LDHs were compared: one using aluminum extracted from saline slags and the other using a commercial aluminum salt as source of aluminum. Saline slags, a by-product of aluminum recycling, are particularly hazardous due to their high toxicity and potential for environmental contamination. Extracting aluminum from these slags and using it in the synthesis of LDHs not only helps in eliminating a dangerous waste but also creates materials with beneficial environmental applications. The adsorption process was optimized using response surface methodology (RSM) coupled with Box- Behnken design (BBD) to assess the effects of key operational parameters. Besides gallic acid, other organic pollutants such as diclofenac and salicylic acid were also evaluated for removal from aqueous solution. The LDH /LDO were characterized by X-ray diffraction (XRD), ATR infrared spectroscopy (ATR-IR), scanning and transmission electron microscopy (SEM/TEM), thermogravimetric analysis (TGA), and nitrogen adsorption at -196ºC. The merit data indicate that the material synthesized at pH = 9 with extracted aluminum exhibits superior adsorption capacity for gallic acid, demonstrating the highest removal rate, nearly reaching 100 %, and achieving equilibrium more quickly than other samples. This superior adsorption performance is also notable for salicylic acid and diclofenac. After four regeneration cycles, the adsorption rate of the adsorbent remains stable, indicating that CCA9 maintains a consistent and efficient adsorption performance. This highlights the robustness of the material and its high reusability in prolonged adsorption applications. Molecular dynamics simulations (MDS) revealed that the adsorption process occurs spontaneously, driven by weak interactions: van der Waals, intermolecular, hydrogen bonding, π-interactions and short contacts.	en
dc.description.sponsorship	The authors are grateful for financial support from the Spanish Ministry of Science and Innovation (MCIN/AEI/10.13039/ 501100011033) through projects PID2020-112656RB-C21 and PID2023-146935OB-C21. AIB thanks Universidad Pública de Navarra for a pre-doctoral grant. LS thanks the Universidad Pública de Navarra for a post-doctoral Margarita Salas grant, financed by the European Union-Next Generation EU.
dc.format.mimetype	application/pdf	en
dc.format.mimetype	application/msword	en
dc.identifier.citation	Boulahbal, A. I., Santamaria, L., Bourzami, R., Bendrihem, A. S., Boutahala, M., Korili, S. A., Gil, A. (2024). Enhancing adsorptive performance of Cu-Al layered double hydroxides from aluminum saline slags: Insights from response surface methodology and molecular dynamic simulation. Minerals Engineering, 219, 1-19. https://doi.org/10.1016/j.mineng.2024.109067.
dc.identifier.doi	10.1016/j.mineng.2024.109067
dc.identifier.issn	0892-6875
dc.identifier.uri	https://academica-e.unavarra.es/handle/2454/52660
dc.language.iso	eng
dc.publisher	Elsevier
dc.relation.ispartof	Minerals Engineering (2024), vol. 219, 109067
dc.relation.projectID	info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-112656RB-C21/ES/
dc.relation.projectID	info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica, Técnica y de Innovación 2021-2023/PID2023-146935OB-C21/
dc.relation.publisherversion	https://doi.org/10.1016/j.mineng.2024.109067
dc.rights	© 2024 The Author(s). This is an open access article under the CC BY-NC-ND license.
dc.rights.accessRights	info:eu-repo/semantics/openAccess
dc.rights.uri	https://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject	Layered double hydroxides	en
dc.subject	Aluminum industrial waste	en
dc.subject	Organic pollutants	en
dc.subject	Adsorption	en
dc.subject	Saline slags	en
dc.title	Enhancing adsorptive performance of Cu-Al layered double hydroxides from aluminum saline slags: Insights from response surface methodology and molecular dynamic simulation	en
dc.type	info:eu-repo/semantics/article
dc.type.version	info:eu-repo/semantics/publishedVersion
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