Assessing corrosion inhibition characteristics of hydrazone derivatives on mild steel in HCl: Insights from electronic-scale DFT and atomic-scale molecular dynamics
Hassane Lgaz, R. Salghi, Sheerin Masroor, Seung‐Hyun Kim, Chang Woo Kwon, So Yeon Kim, Yun-Jin Yang, Ill-Min Chung
Topics & Concepts
AdsorptionMolecular dynamicsDensity functional theoryChemistryCorrosionComputational chemistryHydrazoneMoleculeDiffusionPhysical chemistryInorganic chemistryThermodynamicsOrganic chemistryPhysicsCorrosion Behavior and InhibitionMaterial Properties and Failure MechanismsHydrogen embrittlement and corrosion behaviors in metals