Resumo

NAHLE, A. et al. Experimental, Quantum Chemical and Monte Carlo Simulation Studies on the Corrosion Inhibition of Mild Steel by Three New Schiff Base Derivatives. Port. Electrochim. Acta [online]. 2021, vol.39, n.5, pp.293-321.  Epub 31-Out-2021. ISSN 0872-1904.  https://doi.org/10.4152/pea.2021390501.

The corrosion inhibition of newly synthesized Schiff base derivatives, namely (E)-3-(1-((2-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMO), (E)-3-(1-((3-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMM), and (E)-3-(1-((4-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMP) was investigated for mild steel, in a 1.0 M HCl medium, using weight loss, electrochemical impedance spectroscopy, potentiodynamic polarization and theoretical calculations. FMO, FMM and FMP inhibition effectiveness increased with higher inhibitors concentrations, and decreased with a rise in temperature. Polarization studies showed that FMO, FMM and FMP were of mixed type nature. The results obtained from AC-impedance technique were analyzed to model the corrosion inhibition process through a suitable equivalent circuit model, where a constant phase element (CPE) has been used. FMO, FMM and FMP were found to obey Langmuir adsorption isotherm and Kinetic-Thermodynamic Model of El-Awady. Quantum chemical calculations were used to provide molecular based explanations for FMO, FMM and FMP inhibitive effects. Monte Carlo simulation studies and experimental results were in good agreement.

Palavras-chave : Mild Steel; corrosion inhibition; Schiff Base derivatives; weight loss; electrochemical techniques and Monte Carlo simulation.

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