Electrochemical and Quantum Chemical Study of Albendazole as Corrosion Inhibitor for Mild Steel in Hydrochloric Acid Solution

摘要

Inhibition effect of Albendazole on the mild steel corrosion in molar hydrochloric acid wasinvestigated using weight loss, electrochemical impedance spectroscopy (EIS) and polarizationtechniques. The results show that Albendazole is an effective inhibitor for mild steel corrosion in 1 MHCl solutions and inhibition efficiency is >90% at inhibitor concentration of 0.4 mM. Adsorption ofthe inhibitor on the mild steel surface followed Langmuir adsorption isotherm. The value of freeenergy of adsorption (ads) indicated that adsorption of Albendazole molecule is a spontaneousprocess and it adsorbs chemically as well as physically. Polarization studies showed that albendazole isa mixed-type inhibitor. Quantum chemical calculations were performed on Albendazole usingunrestricted Kohn-Sham formalism at density functional theory (DFT) level based on self-consistentfield (SCF) method with the 6-31**G (d,p) basis set for all atoms by Gaussian 03W program. Thedifferent quantum chemical properties were calculated and discussed.