Understanding the anticorrosive mechanism of a cross-linked supramolecular polymer for mild steel in the condensate water: comprehensive experimental, molecular docking, and molecular dynamics investigations
Yucong Ma, Tingting Zhou, Wenqin Zhu, Baomin Fan, Hao Liu, Guifeng Fan, Hua Hao, Hui Sun, Biao Yang
Topics & Concepts
Molecular dynamicsSupramolecular chemistryPolymerMechanism (biology)Computational chemistryDocking (animal)Materials scienceChemistryMoleculeOrganic chemistryPhysicsQuantum mechanicsMedicineNursingCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals