Synthesis and investigation of pyran derivatives as acidizing corrosion inhibitors for N80 steel in hydrochloric acid: Theoretical and experimental approaches

Highlights: • Investigation of some Pyran derivatives as efficient corrosion inhibitors for N80 steel. • EIS and Tafel polarization techniques were used for analyses. • AFM and SEM methods were used to observe the surface morphology. • DFT and Molecular simulations were done to support the experimental results. • Inhibitors followed Langmuir isotherm and ΔG_ads and ΔK_ads were studied. The corrosion inhibition performance of pyran derivatives (AP) on N80 steel in 15% HCl was investigated by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, weight loss, contact angle and scanning electron microscopy (SEM) measurements, DFT and molecular dynamic simulation. The adsorption of APs on the surface of N80 steel obeyed Langmuir isotherm. Potentiodynamic polarization study confirmed that inhibitors are mixed type with cathodic predominance. Molecular dynamic simulation was applied to search for most stable configuration and adsorption energies for the interaction of the inhibitors with Fe (110) surface. The theoretical data obtained are in most cases in agreement with experimental results.