Density functional theory and molecular dynamics simulation studies of bio-based fatty hydrazide-corrosion inhibitors on Fe (1 1 0) in acidic media
Najihah Mazlan, Khairulazhar Jumbri, Mohd Azlan Kassim, Roswanira Abdul Wahab, Mohd Basyaruddin Abdul Rahman
Topics & Concepts
AdsorptionDensity functional theoryMolecular dynamicsCorrosionHOMO/LUMOHydrazideMetalChemistryMaterials scienceFerrousChemical engineeringComputational chemistryOrganic chemistryMoleculeEngineeringCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals