A Unmasking the Latent Roles of a Novel Schiff Base Pyran‐2‐One Derivative as Corrosion Inhibitors for Xc38 Steel in Acidic Conditions: Electrochemical and Computational Studies

ABSTRACT With the increasing focus on environmental concerns, the development of sustainable corrosion inhibitors has emerged as a significant area of research. The present work addresses a newly synthesized Schiff base's ability to reduce corrosion, 4‐hydroxy‐3‐{1‐[(4‐carboxy phenyl)imino]ethyl}‐6‐methyl‐2H‐pyran‐2‐one, for XC38 carbon steel in a 1 M HCl solution. To assess its effectiveness, various experimental techniques were employed, encompassing electrochemical evaluations, and surface assessment methods (SEM, AFM). The results showed that the Schiff base exhibited a high level of inhibitory power of 93.63% at 400 ppm, functioning as a mixed‐type inhibitor by influencing both cathodic and anodic processes. Surface analysis confirmed the formation of a protective layer that effectively reduced corrosion in acidic media. Moreover, computational studies, including Density Functional Theory (DFT) calculations, COSMO‐RS analysis, Monte Carlo simulations, and Radial Distribution Function (RDF) analysis, confirmed the experimental results by demonstrating strong inhibitor adsorption on the steel surface. These results highlight the Schiff base's effectiveness as a durable corrosion inhibitor for industrial applications.