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Article type: Research Article
Authors: Eddy, Nnabuk O.a; * | Ibok, Udo J.b | Ita, Benedict I.b
Affiliations: [a] Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria | [b] Department of Chemistry, University of Calabar, Calabar, Nigeria
Correspondence: [*] Corresponding author. E-mail: nabukeddy@yahoo.com.
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.
Keywords: Corrosion, inhibitor, amino acids, DFT and QSAR studies
DOI: 10.3233/JCM-2011-0290
Journal: Journal of Computational Methods in Sciences and Engineering, vol. 11, no. 1-2, pp. 25-43, 2011
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