Inhibition of copper corrosion in 3.5% NaCl solutions by a new pyrimidine derivative: electrochemical and computer simulation techniques

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.