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A combined quantum chemical, molcular dynamics and Monto Carlo study of three amino acids as corroison inhibitors for aluminum in NaCl solution

Xiaoting Xu, Hao Xu, W. Li, Yong Wang, Xuyun Zhang

2021Journal of Molecular Liquids23 citationsDOI

Topics & Concepts

ChemistryCorrosionMolecular dynamicsAdsorptionAqueous solutionDiffusionAsparagineArginineComputational chemistryQuantum chemistryAmino acidPhysical chemistryMoleculeThermodynamicsOrganic chemistryBiochemistrySupramolecular chemistryPhysicsCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals
A combined quantum chemical, molcular dynamics and Monto Carlo study of three amino acids as corroison inhibitors for aluminum in NaCl solution | Litcius