Corrosion behaviour of new oxo-pyrimidine derivatives on mild steel in acidic media: Experimental, surface characterization, theoretical, and Monte Carlo studies

Synthesis, catalytic activity, magnetic study and anticorrosive activity of mild steel in HCl 1 M medium of (H3dien)[Cu(NO3)(C2O4)2].2H2O. A redetermination at 100 K

“…Thus, the value of n dl grows as well (0.82-0.87), when compared to that obtained in solution of 1M HCl alone. This can be attributed to a certain decrease of the initial surface inhomogeneity resulting from the adsorption of 1 on the most active sites [87]. Also, these results could be confirmed by the values of R f that gets enhanced from 74.24 Ω cm 2 at concentration of 10 -6 mol L -1 to 395.20 Ω cm 2 at the maximum concentration of 10 -3 mol L -1 , so adsorption of 1 is proved, although at lower concentrations.…”

Synthesis, DFT, molecular dynamics, and Monte Carlo simulation of a novel thiourea derivative with extraordinary inhibitive properties for mild steel in 0.5 M sulphuric acid

“…Of these, density functional theory is an exceptionally unique method that gives accurate results despite its low cost compared to other accurate methods. [29][30][31] Herein, a novel compound based on N-phenylthiourea has been successfully synthesized via green methods and characterized by different spectroscopic techniques such as FT-IR, 1 H, 13 C-NMR, and elemental analysis. The corrosion inhibition performance of mild steel in 0.5 M H 2 SO 4 was assessed by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) in the absence and presence of various inhibitor concentrations.…”

“…Of these, density functional theory is an exceptionally unique method that gives accurate results despite its low cost compared to other accurate methods. 29–31…”