Computational and Experimental Evaluation of the Acid Corrosion Inhibition of Carbon Steel by 7-Methyl-2 Phenylimidazo[1,2-α]Pyridine

Abstract

A newly synthesized 7-methyl-2-phenylimidazo[1,2-α]pyridine (MPP), was investigated as corrosion inhibitor of carbon steel in 1.0 M HCl solution using weight loss measurements, polarization and electrochemical impedance spectroscopy (EIS) methods. Results obtained revealed that MPP is effective corrosion inhibitor for carbon steel in hydrochloric acid and its efficiency attains more than 93.7% at 298 K. The adsorption of pyridine derivative is found to obey Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The relationship between molecular structure of this compound and their inhibition efficiency has been investigated by quantum chemical calculations. The electronic properties such as the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energy levels, energy gap (LUMO-HOMO), dipole moment and molecular orbital densities were computed.