MD and DFT computational simulations of Caffeoylquinic derivatives as a bio-corrosion inhibitor from quince extract with experimental investigation of corrosion protection on mild steel in 1M H2SO4
Mohammadali Gholami Golafshani, Hossein Tavakoli, Seyedeh Ameneh Hosseini, Matin Akbari
Topics & Concepts
ChemistryPhysisorptionAdsorptionDielectric spectroscopyCorrosionSulfuric acidLangmuir adsorption modelCarbon steelDensity functional theoryFourier transform infrared spectroscopyGibbs free energyPolarization (electrochemistry)Nuclear chemistryCorrosion inhibitorMolecular dynamicsElectrochemistryAnalytical Chemistry (journal)Inorganic chemistryPhysical chemistryChemical engineeringComputational chemistryOrganic chemistryThermodynamicsElectrodeEngineeringPhysicsCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals