The Journal of Physical Chemistry C · 2016 · 352 citations · 62 references
Natural SciencesChemistryMaterials ScienceCorrosion ScienceSurface ScienceTheoretical ChemistryCorrosion InhibitorsCorrosion MechanismsCorrosion Of SteelsCorrosion ProtectionCorrosion-resistant MaterialsElectrochemical CorrosionCorrosion ElectrochemistryCorrosion InhibitionCorrosion Inhibition MechanismsCorrosion Inhibitors For Mild SteelElectrochemical Impedance AnalysisElectrochemical Inhibition MechanismsGreen Corrosion InhibitorsPotentiodynamic Polarization
The corrosion inhibition efficiencies of three novel naphthyridines namely, 5-amino-9-hydroxy-2-phenylchromeno[4,3,2- de ][1,6]naphthyridine-4-carbonitrile (N-1), 5-amino-9-hydroxy-2-( p -tolyl)chromeno[4,3,2- de ][1,6]naphthyridine-4-carbonitrile (N-2), and 5-amino-9-hydroxy-2-(4-methoxyphenyl)chromeno[4,3,2- de ][1,6]naphthyridine-4-carbonitrile (N-3) have been investigated for mild steel in 1 M HCl solution by using weight loss, electrochemical impedance spectroscopy, and potentiodynamic polarization methods. All three compounds show high inhibition activities at 6.54 × 10 –5 M: N-1, 94.28%; N-2, 96.66%; and N-3, 98.09%. Electrochemical impedance spectroscopy analysis reveals an increase in polarization resistance due to the adsorbed inhibitor molecules on metal surface. Potentiodynamic polarization analysis reveals that all three compounds act as mixed-type inhibitors but of predominantly cathodic type. The adsorption of the studied compounds on mild steel surface follows the Langmuir adsorption isotherm. Surface morphology examined by using scanning electron microscopy and atomic force microscopy analysis shows a smoother surface for mild steel in the presence of naphthyridines in acidic solution. Quantum chemical parameters correlate well with the experimental results, which support higher inhibition efficiencies of N-3 and N-2 due to the electron-donating effects of −OCH 3 and −CH 3 substituents, respectively, than of N-1, which is devoid of substituents. The magnitudes of the adsorption energies obtained from Monte Carlo simulations also agree with the trend of the experimental inhibition efficiency.
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Density-functional thermochemistry. III. The role of exact exchange
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Natural Sciences, Chemistry, Physics +13
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