El Hezzat, M. and Assouag, M. and Zarrok, H. and Benzekri, Z. and El Assyry, A. and Boukhris, S. and Souizi, A. and Galai, M. and Touir, R. and Ebn Touhami, M. and Oudda, H. and Zarrouk, A. (2015) Correlated DFT and electrochemical study on inhibition behavior of ethyl 6-amino-5-cyano-2-methyl-4-(p-tolyl)-4H-pyran-3-carboxylate for the corrosion of mild steel in HCl. Der Pharma Chemica, 7 (10). pp. 77-88.

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The inhibition effect of ethyl 6-amino-5-cyano-2-methyl-4-(p-tolyl)-4H-pyran-3-carboxylate (Pyr2) on the corrosion of mild steel in 1.0 M HCl was investigated by electrochemical (potentiodynamic polarization and electrochemical impedance spectroscopic studies) and theoretical methods. The potentiodynamic polarization was carried at different temperatures ranging from 298 to 328 K. In all the studies, Inhibition efficiency increases with increase in concentrations of Pyr2 but decreases with rise in the temperature. Potentiodynamic polarization measurements confirmed that the inhibitive action of this compound is of mixed type. The activation parameters and thermodynamic values responsible for the adsorption were discussed. The adsorption of the inhibitor on mild steel surface has been found to obey the Langmuir isotherm. Density functional theory (DFT) at the B3LYP/6-311G(d,p) basis set level was performed. Excellent correlation was found between experimental and theoretical results.

Item Type: Article
Uncontrolled Keywords: carboxylic acid derivative; chloride; ethyl 6 amino 5 cyano 2 methyl 4 (p tolyl) 4h pyran 3 carboxylate; steel; unclassified drug, adsorption; Article; chemical structure; controlled study; corrosion; density functional theory; electrochemical impedance spectroscopy; electrochemistry; isotherm; polarization; potentiometry; temperature dependence; thermodynamics
Subjects: Chemistry
Divisions: SCIENTIFIC PRODUCTION > Chemistry
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:45
URI: http://eprints.umi.ac.ma/id/eprint/1912

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