Carbon steel corrosion inhibition in H2SO4 0.5 M medium by thiazole-based molecules: Weight loss, electrochemical, XPS and molecular modeling approaches

Carbon steel (CS) corrosion prevention is a significant problem in the industry. The development of an effective protection strategy popular research area. In this work, three thiazole derivatives (3-(2-methoxyphenyl)−4-methylthiazol-2(3H)-thione (P1), 3-phenyl-4-methylthiazol-2(3H)-thione (P2) and 3-(2-methyl-phenyl)−4-methylthiazol-2(3H)-thione (P3)) were used 0.5 M H2SO4 solution for CS mitigation. Weigh loss electrochemical tests to assess their effectiveness, while X-ray photoelectron spectroscopy was examine surface (XPS). Electrochemical showed inhibition efficiency between 90.1% 98.4% exposed acidic containing 2 × 10−4 derivatives. inhibitors categorized as mixed type since they inhibited both cathodic anodic follow Langmuir isotherm. XPS that inhibitor molecules formed stable layer on through chemical physical interactions. Furthermore, these experimental outcomes are well complemented from results analyzed by quantum chemistry calculations. Additionally, MD simulation helped visualization adsorbed configuration compounds metal surface.