Electrode

Organic chemistry

Corrosion inhibitor

Copper

Stereochemistry

Nuclear chemistry

Langmuir

Langmuir adsorption model

Adsorption

Physical chemistry

Inorganic chemistry

Chemistry

Polarization (electrochemistry)

Corrosion

Nitric acid

Pyrimidine

Erosion corrosion of copper water tubes

Molecule

Dielectric spectroscopy

Quantum chemical

Electrochemistry

RSC Advances

This study targets the investigation of three pyrimidine-bichalcophene derivatives (MA-1230, MA-1231, MA-1232) for the prevention of corrosion on copper in 1 M HNO3via weight loss (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) techniques. The surface morphology was also analyzed by different methods. It was found that the inhibition efficiency (% η) increased by increasing the doses of pyrimidine derivatives and the temperature of the medium. Weight loss data revealed the better adsorption of MA-1232 on the Cu surface at increased inhibitor dose, reaching a maximum efficiency of 99.14% at a dose of 21 μM at 45 °C. The best description of the adsorption of the investigated derivatives on the copper surface was given by the Langmuir isotherm. Some important thermodynamic parameters for the studied inhibitors were computed and are discussed herein. The polarization studies showed that the pyrimidine-bichalcophenes act as mixed inhibitors. Computational chemical approaches were used with informative yields, including quantum-chemical and molecular dynamics simulation techniques, which agree with the experimental results. The results obtained from all tested methods are strongly accepted.

Novel pyrimidine-bichalcophene derivatives as corrosion inhibitors for copper in 1 M nitric acid solution