Exploring the efficacy of Congo Red dye as a corrosion inhibitor for aluminum in HCl solution: An interdisciplinary study with RSM modeling and theoretical simulations

초록

This study investigates Congo Red Textile Dye (CRD) as a corrosion inhibitor for aluminum in a 1.0 mol/L hydrochloric acid solution. Utilizing a comprehensive suite of analytical techniques, including gravimetric analysis, scanning electron microscopy (SEM), ultraviolet–visible spectrophotometry (UV–Vis), Electrochemical Impedance Spectroscopy (EIS), and Potentiodynamic Polarization curves (PDP), we assessed CRD's adsorption mechanism and its corrosion inhibition effectiveness. Significant corrosion mitigation was observed, with the efficiency of inhibition EI (%) increasing alongside CRD concentration, achieving a maximum efficiency of 87.5 %. This enhancement in EI (%) decreases with rising temperatures, assessed across a range from 298 to 323 K. Response surface methodology (RSM) and central composite design (CCD) were employed for accurate corrosion rates (Vcorr) and EI (%) prediction. Additionally, theoretical analysis was performed using global and local reactivity descriptors along with molecular dynamics (MD) simulations. Theoretical results confirmed the widespread presence of nucleophilic and electrophilic sites, along with a strong affinity for the Al surface, suggesting CRD's potential for enhancing corrosion resistance. This study proposes a potential pathway for the valorization of Congo Red dye, utilizing concentrations within non-toxic thresholds, thereby aligning with environmental safety and industrial application considerations. © 2024 The Author(s)

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