Detailed DFT/MD simulation, surface analysis and electrochemical computer explorations of aldehyde derivatives for mild steel in 1.0 M HCl

Corrosion prevention in mild steel (MS) is a major issue in the industry. The development of an effective protection strategy is a popular research area. In this work, two molecules, namely methoxy cinnamaldehyde (MCA) and methyl cinnamaldehyde (MeCA) were evaluated as corrosion inhibitors for mild...

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Bibliographic Details
Published in:Colloids and surfaces. A, Physicochemical and engineering aspects Physicochemical and engineering aspects, 2022-01, Vol.632, p.127822, Article 127822
Main Authors: Lazrak, J., Ech-chihbi, E., El Ibrahimi, B., El Hajjaji, F., Rais, Z., Tachihante, M., Taleb, M.
Format: Article
Language:English
Subjects:
Adsorption
Aldehyde derivatives
Corrosion resistance
Protective film
Surface morphology
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Summary:Corrosion prevention in mild steel (MS) is a major issue in the industry. The development of an effective protection strategy is a popular research area. In this work, two molecules, namely methoxy cinnamaldehyde (MCA) and methyl cinnamaldehyde (MeCA) were evaluated as corrosion inhibitors for mild steel in 1.0 M HCl solution, providing a strong basis for the development of new inhibitors platform in the field of corrosion. The corrosion inhibition performance of MCA and MeCA has been studied by using weight loss, Impedance Spectroscopy (EIS), Potentiodynamic Polarization (PDP), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray (EDX) analysis, quantum chemical calculations and molecular dynamics (MD) simulation. Results showed that inhibition effectiveness of MCA and MeCA increases with their concentration. Polarization results showed that MCA and MeCA displayed mixed type behaviour. Inhibition efficiencies of MCA and MeCA followed the order: 88% (MCA)
ISSN:0927-7757
1873-4359
DOI:10.1016/j.colsurfa.2021.127822