Efficient Synthesis of 6,7-Dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Compounds and Their Applicability As Inhibitor Films for Steel Alloy Corrosion: Collective Computational and Practical Approaches
Hany M. Abd El‐Lateef, Mai M. Khalaf, Kamal Shalabi, Antar A. Abdelhamid
Abstract
. The adsorption of CAPD derivatives on the CS interface follows the Langmuir isotherm model, including physisorption and chemisorption. Scanning electron microscopy (SEM) exploration confirmed the adsorption of the CAPD derivatives on the CS substrate. Monte Carlo (MC) simulations and DFT calculations revealed that the efficacy of the CAPD molecules correlates well with their structures, and this protection was attributed to their adsorption on the CS surface.
Topics & Concepts
PhysisorptionDielectric spectroscopyAdsorptionCorrosionScanning electron microscopeLangmuir adsorption modelChemistryElectrochemistryMaterials scienceChemisorptionInorganic chemistryNuclear chemistryPhysical chemistryOrganic chemistryComposite materialElectrodeCorrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability