Effective inhibition of mild steel corrosion by 6-bromo-(2,4-dimethoxyphenyl)methylidene]imidazo [1,2-a]pyridine-2-carbohydrazide in 0.5 M HCl: Insights from experimental and computational study

dc.contributor.authorVranda Shenoy, K.
dc.contributor.authorVenugopal, P.P.
dc.contributor.authorReena Kumari, P.D.
dc.contributor.authorChakraborty, D.
dc.date.accessioned2026-02-05T09:27:06Z
dc.date.issued2021
dc.description.abstractA new inhibitor, 6-bromo-(2,4-dimethoxyphenyl)methylidene]imidazo [1,2-a]pyridine-2-carbohydrazide (DMPIP) was evaluated as a corrosion inhibitor for Mild Steel (MS) in 0.5 M HCl solution at 303–323 K using potentiodynamic polarization and electrochemical impedance spectroscopic (EIS) techniques. Both the techniques confirmed an increase in inhibition efficiency with the concentration of DMPIP but decrease with temperature. The highest inhibitive action (96.7%) was registered at 303 K for 500 ppm of DMPIP concentration. Polarization study revealed mixed inhibition action by DMPIP. Nyquist plot obtained for MS using EIS technique showed two capacitive loops on addition of inhibitor to HCl solution confirmed the inhibitory action of DMPIP via adsorption at the metal/solution interface. The surface morphology analysis was carried out by SEM, EDX and FTIR techniques. The adsorption process was demonstrated using Langmuir's adsorption isotherm model. The thermodynamic parameters (?Go<inf>ads</inf>, ?Ho<inf>ads</inf>) indicated that the adsorption was spontaneous and done by physisorption. Further, quantum chemical studies using Density Functional Theory (DFT) elucidated that the formation of Fe-DMPIP complex presumably due to the interaction of protonated form of DMPIP with the empty d orbitals of the iron atom. © 2021 Elsevier B.V.
dc.identifier.citationJournal of Molecular Structure, 2021, 1232, , pp. -
dc.identifier.issn222860
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.130074
dc.identifier.urihttps://idr.nitk.ac.in/handle/123456789/23225
dc.publisherElsevier B.V.
dc.subjectChlorine compounds
dc.subjectComputation theory
dc.subjectDensity functional theory
dc.subjectElectrochemical corrosion
dc.subjectHydrochloric acid
dc.subjectIron compounds
dc.subjectLow carbon steel
dc.subjectMorphology
dc.subjectPhysisorption
dc.subjectPolarization
dc.subjectPyridine
dc.subjectQuantum chemistry
dc.subjectSteel corrosion
dc.subjectSurface morphology
dc.subjectComputational studies
dc.subjectElectrochemical impedance
dc.subjectImidazo[1 ,2-a]pyridine
dc.subjectInhibition efficiency
dc.subjectLangmuir's adsorption isotherms
dc.subjectQuantum chemical studies
dc.subjectSurface morphology analysis
dc.subjectThermodynamic parameter
dc.subjectCorrosion inhibitors
dc.titleEffective inhibition of mild steel corrosion by 6-bromo-(2,4-dimethoxyphenyl)methylidene]imidazo [1,2-a]pyridine-2-carbohydrazide in 0.5 M HCl: Insights from experimental and computational study

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