Search

[Display omitted] • SAP1, SAP2, and SAP3 performance towards the corrosion inhibition for mild steel in 1 M HCl using weight loss, EIS and PP measurements revealed excellent results. • The inhibition efficiency showed a slight decrease with the rise of temperature. • The surface characterization SEM/EDX justified the adsorption of SAP molecules on mild steel surface. • Quantum chemical calculations and Monte Carlo simulation confirmed the experimentally obtained results. Controlling corrosion of metals and their alloys in acidic environments has recently received increasing scientific attention. Therefore, our study investigated three newly synthesized Schiff base (imine) derivatives, namely (3Z,3'Z)-4,4′-(ethane-1,2-diyldiimino)bispent-3-en-2-one (SAP1), (4′E)-4,4′-(pyridine-2,6-diyldinitrilo)dipentan-2-one (SAP2), and (4′E)-4,4′-(benzene-1,3-diyldinitrilo)dipentan-2-one (SAP3) to understand their adsorption on mild steel (MS) surface effects in 1 M HCl solution using electrochemical and theoretical methods. The obtained results show that the three inhibitors have good protective effects. Electrochemical techniques show that the presence of these compounds significantly increases the polarization resistance and influences both the anodic and cathodic reactions. This means that these inhibitors have mixed properties. The stability of these molecules at higher temperatures, from 298 K up to 328 K, was examined by polarization potentiodynamic measurements. This study revealed that these compounds resist temperature by adsorbing on the MS surface to form a protective barrier. Scanning electron microscopy with Energy Dispersive X-ray Analysis (SEM-EDX) was also implemented to understand the adsorption phenomenon. In addition, density functional theory (DFT) and Monte Carlo simulation (MC) were performed to confirm the experimental results. [ABSTRACT FROM AUTHOR]

[Display omitted] • Corrosion inhibition of mild steel in acid medium by L1 and C1 was investigated. • Inhibition efficiencies were experimentally achieved by gravimetric and electrochemical techniques and especially for the compound C 1. • SEM-EDS and UV–Visible studies support the formation of inhibitor film on steel surface. • DFT and Monte Carlo methods allowed correlating molecular properties with inhibition efficiency. The inhibition ability of a bipyrazole compound (L 1) and its complex copper [Cu (Hbpz) 3 ] (BF 4) 2 ] (C 1) 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. [ABSTRACT FROM AUTHOR]