Multi-Technique assessment of zaleplon for corrosion control in mild steel using 1M HCl media: A study incorporating molecular dynamics , electrochemical testing, and morphological evaluation

초록

Background: Corrosion of mild steel in acidic environments is a significant concern, leading to material degradation and failure in several industrial applications. This study investigates the efficacy of Zaleplon as a corrosion inhibitor for mild steel in 1 M HCl media, a critical concern for the longevity and safety of steel structures. Methods: The study employed various analytical techniques including electrochemical impedance spectroscopy, potentiodynamic polarization, and surface analysis methods such as scanning electron microscopy, energy- dispersive X-ray spectroscopy, etc. Additionally, Density Functional Theory, Monte Carlo and Molecular Dynamics Simulations were performed to understand the interaction mechanisms at the molecular level. Significant Findings: The results demonstrated that Zaleplon significantly enhances the corrosion resistance of mild steel. Weight loss measurements showed Zaleplon reduced mild steel corrosion rate by achieving 90.4% inhibition efficiency at 600 ppm. EIS data indicated charge transfer resistance increased from 59.88 Omega cm2 (untreated) to 131.67 Omega cm2 (600 ppm), with 94.57% efficiency. SEM revealed fewer corrosion pits in treated samples, and EDX confirmed higher iron content. Activation energy rose from 19.975 kJ/mol (untreated) to 49.973 kJ/mol (600 ppm). Molecular dynamics simulations showed strong Zaleplon adsorption with-226.05 kcal/mol energy, highlighting Zaleplon's potential for protecting mild steel in acidic environments.

키워드