Corrosion Inhibition of Carbon Steel by Expired Omeprazole: Insights from Electrochemical Noise and DFT Studies

The corrosion of carbon steel in marine–industrial atmospheric environments remains a significant challenge due to the combined effect of aggressive ions such as chlorides and sulfates. In this context, this study aims to explore the inhibitory action of expired omeprazole applied to mild steel AISI 1018 evaluated on a solution simulating atmospheric corrosion (0.1 M Na2SO4 + 3% wt NaCl) over 72 h. The material was characterized using EDS to determine its composition of AISI 1018 steel, while Raman spectroscopy was employed to identify the functional groups and heteroatoms present on the molecular structure of omeprazole. Electrochemical noise (EN) measurements were used to evaluate the corrosion rate, type of corrosion and mechanism. Also, quantum chemical calculations of density function theory (DFT) were performed to predict the relationship between molecular structure and inhibition efficiency. The results indicate that 50 ppm provides the most stable and effective corrosion inhibition over time, as evidenced by increases in noise resistance and inhibition efficiency. In contrast, 75 ppm exhibits improved surface morphology at the end of the exposure period, which indicates enhanced surface coverage. The DFT results reveal that omeprazole possesses suitable electronic properties for corrosion inhibition, including moderate reactivity, electron-donating ability, and favorable charge distribution that promotes adsorption onto the metal surface. SEM analysis corroborates that surface damage is significantly reduced in the presence of the inhibitor, particularly at 75 ppm. This study provides new insights into the use of expired pharmaceutical compounds as corrosion inhibitors and demonstrates the capability of combining electrochemical noise analysis with DFT to evaluate both inhibition efficiency and film stability.