Novel triazole derivatives as ecological corrosion inhibitors for mild steel in 1.0 M HCl: experimental & theoretical approach
Ayssar Nahlé, Rajae Salim, F. El Hajjaji, Mohamed Reda Aouad, Mouslim Messali, Elhachmia Ech-chihbi, B. Hammouti, M. Taleb
Abstract
M. Based on the Langmuir isotherm model and the activation parameters, these triazole derivatives were adsorbed onto a steel surface by physical and chemical bonds. Density functional theory based on B3LYp6-311G(d,p) was also carried out to correlate the inhibition efficiencies obtained experimentally with the theoretical descriptors of the studied molecular structures.
Topics & Concepts
CorrosionTriazoleChemistryCombinatorial chemistryComputational chemistryOrganic chemistryCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals