Abstract

The inhibition efficiency (IE) of 4-hydroxy-8-isocyano-9-phenyl-3-(p-tolyl)-1,2-dihydropyrimido[2,1-c][1,2,4]triazepine-5,7-dione (TRC-H) and 9-(4-chlorophenyl)-4-hydroxy-8-isocyano-3-(p-tolyl)-1,2-dihydropyrimido[2,1-c][1,2,4]triazepine-5,7-dione (TRC-Cl) on the mild steel (MS) corrosion in 1 M HCl acid was studied by weight loss, electrochemical (EIS and PDP) techniques, DFT, molecular dynamic (MD) simulations, radial distribution function (RDF) and mean square displacement (MSD). TRC-H and TRC-Cl effect on the surface of MS has even been accentuated by scanning electron microscopy (SEM) and UV–visible. The adsorption on the steel is made according to the Langmuir model. Molecular dynamics simulation (MD) and Density Functional calculations were done to discussing their agreement with previously experimented results.

Title

Ismail warad

Publisher

Ismail warad

Publisher Country

Palestine

Publication Type

Prtinted only

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