Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation
Amal Roua, Anouar Ameziane El Hassani, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi, Karim Tanji
Topics & Concepts
IsoxazoleMolecular dynamicsAdsorptionComputational chemistryCorrosionChemistryOrganic chemistryCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals