4-Benzyl-2-(3-(4-fluorophenyl)-2-oxopropyl)-6-phenyl pyridazin-3(2H)-one as a Carbon Steel Corrosion Inhibitor in an Acidic Environment: Electrochemical, Spectroscopic, Thermodynamic, and Quantum Chemical Assessments

The anti-corrosion characteristics of a synthesized pyridazinone analog, namely, 4-benzyl-2-(3-(4-fluorophenyl)-2-oxopropyl)-6-phenylpyridazin-3(2H)-one (BOPP), on carbon steel (CR/S) in a 1-M HCl medium were assessed by potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX), contact angle, UV–Visible, and modeling methods. Outcomes demonstrate that BOPP hindered (CR/S) corrosion in a 1-M HCl medium and disclose that the performance of inhibition improved with BOPP amount (95.7% for 10⁻³M at 303 K), but reduced somewhat with temperature (84.7% for 10⁻³M at 333 K). BOPP’s mixed-type nature was revealed via PDP bends. BOPP is chemisorbed on the surface of (CR/S) following the Langmuir adsorption model. The contact angle findings disclose that the adsorbed BOPP coating enhances the hydrophobicity of the (CR/S) surface. The SEM &EDX test outcomes demonstrated that BOPP may perfectly adsorb at the (CR/S) interface. The altered appearance of UV–Visible spectra demonstrates the development of a complex among BOPP and iron in the HCl medium. Furthermore, theoretical inquiries were carried out utilizing density functional theory (DFT) and molecular dynamics simulation (MDs) to assess the most reactive sites of the pyridazinone molecule and its adsorption process.