Chemical, Electrochemical, Theoretical and Surface Morphology Studies of Triazepine Carboxylate Compounds as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid Medium

The purpose of this paper is to study the temperature effects on mild steel corrosion in 1.0 M of HCl in the absence and the presence of three triazepine carboxylate compounds that were investigated by using molecular dynamic, Monte Carlo simulation approach and electrochemical methods. The inhibition action of all triazepine carboxylate compounds studied was performed via adsorption on mild steel surface. It is showed that triazepine carboxylate compounds are very good inhibitors for mild steel corrosion in 1.0 M HCl medium which are act as mixed-type inhibitors. EIS showed that all compounds act by the formation of a protective film at the metal surface. Molecular dynamic simulation study was employed to provide significant relationship between molecular structure of triazepine carboxylate inhibitor molecules and their inhibition efficiency, adsorption mode and ability. The binding energies of tested triazepine carboxylate compounds on Fe (110) surfaces were calculated. Very good agreement was obtained with the experimental data. Atomic force microscopy indicated that (2Cl-Me) molecules contribute to a protective layer formation by their adsorption on the steel surface.