QSAR and quantum chemical studies on the inhibition potentials of some amino acids for the corrosion of mild steel in H 2 SO 4

Abstract

Experimental studies on the inhibitive and adsorption properties of leucine, alanine and glycine for the corrosion of mild steel in H₂SO₄ solutions were carried out using weight loss and gasometric methods. The theoretical investigation was carried out using quantum chemical principles. The results obtained indicate that from the experimental studies, inhibition efficiencies correlate with some quantum chemical parameters and with the theoretical inhibition efficiencies (obtained through quantitative structure activity relation). The adsorption of the inhibitors is spontaneous and supports the mechanism of physical adsorption. The site for electrophillic attack is at the carboxyl functional group of the inhibitors.