Towards rational design of organic copper corrosion inhibitors: High-throughput computational evaluation of standard adsorption Gibbs energy
Zhongheng Fu, Xin Guo, Xinzheng Zhang, Dominik Legut, Dawei Zhang, Dawei Zhang
Topics & Concepts
Gibbs free energyAdsorptionCorrosionSolvationChemistryThermodynamicsCopperMaterials sciencePhysical chemistryComputational chemistryInorganic chemistryMoleculeOrganic chemistryPhysicsCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals