Understanding the adsorption of imidazole corrosion inhibitor at the copper/water interface by ab initio molecular dynamics
Xin Guo, Xinzheng Zhang, Lingwei Ma, Yiran Li, Jiabo Le, Zhongheng Fu, Lin Lu, Dawei Zhang, Dawei Zhang
Topics & Concepts
CorrosionImidazoleAb initioCopperAdsorptionMolecular dynamicsCorrosion inhibitorMaterials scienceErosion corrosion of copper water tubesComputational chemistryInorganic chemistryChemistryChemical physicsMetallurgyChemical engineeringPhysical chemistryStereochemistryOrganic chemistryEngineeringCorrosion Behavior and InhibitionElectrochemical Analysis and ApplicationsConcrete Corrosion and Durability