Performance-inhibitory action of an imidazo-pyridine derivative on the corrosion of steel in 1.0 M HCl: Experimental and theoretical studies

This study investigates the protection performance of a novel developed imidazo-pyridine derivative, i.e., (E)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-(3-nitrophenyl) methlanimine (noted as: EMPPN), for mild steel in 1.0 M HCl environment. Employing a multifaceted approach, the research integrates electrochemical and non-electrochemical techniques associated with molecular simulations to evaluate EMPPN efficacy. In the first stage, the synthesis of EMPPN is supported by spectral data analysis. The results demonstrate an impressive protection performance of EMPPN, reaching up to 93.41% at 10−3 M. The electrochemical studies suggest that EMPPN functions as a mixed-type protective agent and adheres to the Langmuir adsorption isotherm, indicating a predominantly chemisorption-based protection mechanism. Further, the protective agent's performance was observed to increase with rising temperatures, suggesting the strong adsorption of EMPPN molecule at elevated temperatures. The defender layer was introduced with the addition of EMPPN, as shown by scanning electron microscopy and energy dispersive X-ray analysis. Theoretical studies, including DFT and Monte Carlo simulations, align with the experimental data, offering deeper insights into the molecular interactions and adsorption mechanisms at play. [Display omitted]