Insight into the Corrosion Inhibition of Dibenzylidene Acetone for Carbon Steel in a Sulfuric Acid Environment: Synthesis, Experimental, and Theoretical Studies

In this study, a thorough evaluation was conducted for the corrosion inhibition potential of (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one compound, commonly referred to as dibenzylidene acetone (DBA) on carbon steel (CS) immersed in a 0.5 M H₂SO₄ solution through electrochemical analysis and theoretical calculations. The findings revealed that DBA functions as a remarkably potent agent against corrosion, displaying a notable decrease in the steel corrosion rate with remarkable inhibition efficiency (89%) at a concentration of 4.10^–3 M. Additionally, the inhibition mechanism is elucidated through detailed electrochemical analysis, highlighting the adsorption of the DBA compound onto the metal surface and subsequent formation of a protective barrier, resulted through its physical interactions while following the Langmuir model. Surface characterizations of the metallic surface through SEM–EDX instrument were conducted for several samples in different corrosive conditions to explore the severity of the sulfuric medium, and the effectiveness of the DBA compound in the same setting. Furthermore, Quantum chemical calculations through Molecular Dynamics simulations (MDs) showcased a solid alignment between the theoretical assessments and the empirical findings. These findings indicate that DBA holds a potent corrosion inhibition effect for carbon steel in the aggressive sulfuric medium.