Anti-corrosion behavior of two N2O4 Schiff-base ligands: Experimental and theoretical studies

• Published in: The Journal of physics and chemistry of solids 2022-05, Vol.164, p.110645, Article 110645
• Main Authors: Jafari, Hojat, Ameri, Elham, Rezaeivala, Majid, Berisha, Avni, Halili, Jeton
• Format: Article
• Language: English
• Subjects: AFM; Corrosion inhibitor; Electrochemical methods; Molecular Dynamic simulation; Monte Carlo; Schiff-base ligand
• ISSN: 0022-3697; 1879-2553
• DOI: 10.1016/j.jpcs.2022.110645

In this study, two novel N2O4 Schiff-base Ligands as green corrosion inhibitors named 2,2'-((1Z,1′Z)-(((1,2-phenylenebis(oxy)) bis(2,1-phenylene))bis(methanylylidene))bis (azanylylidene))diethanol(M1) and 2,2'-((1Z,1′Z)-(((propane-1,3-diylbis(oxy))bis(2,1-phenylene))bis(methany lylidene))bis(azanylylidene))diethanol (M2) have been examined against corrosion of steel in 0.5 M Sulfuric acid by Monte Carlo (MC), Molecular Dynamic (MD) simulation and electrochemical methods. The results showed that two Ligands behaved as a mixed inhibitor. Maximum efficiency attained around 85 with 2 × 10−3 M M2 in 0.5 M H2SO4 at 25 °C. Results revealed that the inhibition took place through adsorption of the compounds on the steel surface. The results of calculations exhibited that M2 had better inhibition efficiency than M1. Powerful Atomic Force microscopy were used for the surface morphology studies. •The Two N2O4 Schiff-base Ligands were synthesized and investigated as corrosion inhibitors for carbon steel.•Potentiodynamic polarization curves reveal that two compounds are a mixed type inhibitor for steel in H2SO4.•It was found that M2 is more efficient corrosion inhibitor for steel protection.•The MC and MD calculations indicate that the inhibitor has a significant adsorptive interaction with the metal surface.•The experimental results corroborate the theoretical expectations.