Unveiling the potent corrosion-inhibiting power of Ammophila arenaria aqueous extract for mild steel in acidic environments: An integrated experimental and computational study

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Plant extracts have emerged as potent inhibiting compounds for metallic corrosion, offering numerous advantages including simple accessibility, low toxicity, eco-friendliness, biocompatibility, effectiveness, and renewability. In this study, the potential of Ammophila arenaria extract as a green corrosion inhibitor for mild steel in 1.0 M HCl over the concentration range of 25–700 ppm was evaluated, using various electrochemical analyses such as Open circuit potential (OCP), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results revealed a notable reduction in the corrosion rate of steel, particularly at 700 ppm, where Ammophila arenaria extract demonstrated its highest inhibition efficiency, reaching 83.67% for polarization and 84.32% for EIS. The cathodic and anodic polarization curves indicated that the aqueous extract of Ammophila arenaria functions as a mixed-type inhibitor. The thermodynamic analysis revealed a negative Gibbs free energy value (∆Gads°), suggesting spontaneous physisorption as the predominant adsorption mechanism. To delve into the inhibition mechanism at the molecular level, the surface morphology of mild steel exposed to 1.0 M HCl solutions, both in the absence and presence of Ammophila arenaria aqueous extract, was scrutinized through Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). Theoretical techniques, including Quantum Calculation Theory, Non-Covalent Interaction (NCI), and Atom In Molecule (QTAIM), were concurrently employed, providing valuable insights into molecular-level interactions. Remarkably, the computational studies complemented and corroborated the experimental data. These comprehensive results significantly contribute to the understanding of Ammophila arenaria extract's corrosion inhibiting properties, endorsing its potential as a sustainable and environmentally friendly corrosion inhibitor suitable for diverse industrial applications. The synergistic integration of experimental and computational approaches establishes a robust foundation for future endeavors in the field of green corrosion inhibitors.