Inhibition of copper corrosion in 3.5% NaCl solutions by a new pyrimidine derivative: electrochemical and computer simulation techniques |
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| Authors: | K F Khaled Mohamed N H Hamed K M Abdel-Azim N S Abdelshafi |
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| Institution: | (1) Electrochemistry Research Laboratory, Chemistry Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt;(2) Materials and Corrosion Laboratory, Chemistry Department, Faculty of Science, Taif University, Hawiya, 888 Taif, Kingdom of Saudi Arabia;(3) Faculty of Education, Chemistry Department, Ain Shams University, Roxy, Cairo, Egypt |
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| Abstract: | A new pyrimidine heterocyclic derivative, namely 2-ethylthio-4-(p-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (EPD) was prepared and its inhibition performance towards copper
corrosion in 3.5% NaCl solutions was studied by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS)
and electrochemical frequency modulation (EFM) measurements. Experimental investigations showed that EPD reduces markedly
the copper corrosion in 3.5% NaCl solutions. EFM can be used as a rapid and non destructive technique for corrosion rate measurements
without prior knowledge of Tafel constants. Monte Carlo simulation technique incorporating molecular mechanics and molecular
dynamics can be used to simulate the adsorption of pyrimidine derivative (EPD) on the Cu (111) surface in 3.5% NaCl. |
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