Corrosion inhibition of copper in chloride media by 2-mercapto-4-(p-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile: Electrochemical and theoretical study |
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Authors: | N.A. Al-Mobarak K.F. Khaled Mohamed N.H. Hamed K.M. Abdel-Azim N.S. Abdelshafi |
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Affiliation: | 1. Faculty of Science, Chemistry Department, Princess Nora Bint Abdulrahman University, Riyadh, Saudi Arabia;2. Electrochemistry Research Laboratory, Chemistry Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt;3. Materials and Corrosion Laboratory, Chemistry Department, Faculty of Science, Taif University, Taif, Hawiya 888, Saudi Arabia;4. Ain Shams University, Faculty of Education, Chemistry Department, Roxy, Cairo, Egypt |
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Abstract: | Electrochemical frequency modulation (EFM), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization have been used to investigate the inhibition effect of a new pyrimidine heterocyclic derivative, namely 2-mercapto-4-(p-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (MPD) on copper corrosion in 3.5% NaCl solutions at 25 ± 1 °C. The electrochemical investigations showed that MPD gives sufficient inhibition against copper corrosion in 3.5% NaCl solutions. Potentiodynamic polarization measurements have shown that the MPD inhibit both the cathodic and anodic processes and thus it classified as mixed-type inhibitor. EIS measurements indicate that the values of constant phase elements (CPEs) tend to decrease and both charge-transfer resistance and inhibition efficiency tend to increase by increasing the inhibitor concentration. Electrochemical kinetic parameters obtained using EFM methods were comparable with that calculated from traditional measurements (EIS and potentiodynamic polarization). Molecular simulation technique was used to investigate the adsorption configuration of MPD on copper surface. Number of electrons transferred from MPD to the copper surface was calculated by semi-empirical quantum chemical calculations. |
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Keywords: | Copper EIS EFM Quantum chemical calculation Molecular modeling |
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