Carbon steel (C-steel) protection in acidic environments remains a significant challenge in industrial applications. In this study, applying dibenzalacetone derivatives remains the most practical solution to mitigate C-steel corrosion in acidic conditions, as demonstrated by the excellent performance of 1,5-p-tolylpenta-1,4-dien-3-one (p-TPO) and its high ability to control the corrosion kinetics of C-steel in 1.0 M HCl solution. The electrochemical response shows that p-TPO forms a durable protective layer on the C-steel surface, achieving an exceptional inhibition efficiency of 97% at a low concentration of 5 x 10-3 M, and significantly reduces anodic and cathodic current densities, as indicated by potentiodynamic polarization (PDP) measurements. According to electrochemical impedance spectroscopy (EIS) analysis, the polarization resistance values increased with increasing concentration of inhibitor, confirming the effectiveness of p-TPO in reducing corrosion rate. Corrosion measurements demonstrated improved electrochemical stability against chloride ions. The addition of the p-TPO inhibitor resulted in the formation of a hybrid film with a corrosion current density of 24.49 x 10- 6 A/cm2 and a high corrosion resistance of 734.60 Omega & sdot;cm2 at a concentration of 5 x 10- 3 M and a temperature of 303 K. The long-term protection and thermal stability were assessed, indicating remarkable stability up to approximately 318 K, and maintained high inhibition efficiency over 72 h of immersion as indicated by a polarization resistance of 318.30 Omega & sdot;cm2. This exceptional performance highlights their potential for sustained corrosion protection under an aggressive environment. The adsorption of p-TPO was found to follow the Langmuir adsorption isotherm. Additionally, Mott-Schottky analysis is employed to gain insights into the interfacial properties of the passive film formed on the C-steel surface. The micro-pores and cracks (without p-TPO) were eliminated (with pTPO), as confirmed by the results of SEM/EDS analyses. Theoretical calculations based on density functional theory (DFT), and density functional-based tight-binding (DFTB) suggest that p-TPO adsorbs parallelly onto the C-steel surface via carbonyl oxygen and aromatic pi-electrons, forming a stable protective layer that effectively shields the metal from corrosive attack. The findings enhance the comprehension of the adsorption mechanisms of p-TPO as cost-effective and environmentally friendly alternatives for corrosion protection in harsh acidic environments, providing valuable insights into their potential effectiveness in mitigating corrosion processes for practical applications, and offering useful insights for developing advanced materials for industrial corrosion control.
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