Mitigation effect of novel bipyrazole ligand and its copper complex on the corrosion behavior of steel in HCl: Combined experimental and computational studies

The inhibition ability of a bipyrazole compound (L1) and its complex copper [Cu (Hbpz)3] (BF4)2] (C1) towards mild steel (MS) corrosion in HCl solution was studied at various concentrations and temperatures using weight loss (WL) potentiodynamic polarization curves (PPC), electrochemical impedance spectroscopy (EIS), scanning electron microscope (SEM), and energy-dispersive X-ray spectroscopy (EDS) methods, UV–vis spectroscopy and computational approach. Results of the polarization revealed that these compounds are mixed type. The adsorption of both molecules on the MS surface is demonstrated by the EDS, SEM and UV–visible findings. Adsorption of both compounds was found to obey Langmuir adsorption isotherm. Density functional theory (DFT) and Monte Carlo Simulation (MC)) supports the experimental results.