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Portugaliae Electrochimica Acta

Print version ISSN 0872-1904

Abstract

CHAOUIKI, A. et al. New Benzohydrazide Derivative as Corrosion Inhibitor for Carbon Steel in a 1.0 M HCl Solution: Electrochemical, DFT and Monte Carlo Simulation Studies. Port. Electrochim. Acta [online]. 2019, vol.37, n.3, pp.1-9. ISSN 0872-1904.  http://dx.doi.org/10.4152/pea.201903147.

The present study aimed to evaluate the inhibition effect of an organic compound, namely, (E)-N'-(2-hydroxybenzylidene)isonicotinohydrazide (BIH), for carbon steel corrosion in a 1.0 M HCl solution, by using weight loss (WL), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results show that BIH is a good inhibitor, and the percentage of inhibition efficiency increases on its higher concentrations. The maximum inhibition efficiency of 94% was obtained at 5×10-3 M. Polarization studies revealed that the BIH compound acts as a mixed type inhibitor. EIS showed that increasing the concentration of the inhibitor led to an increase in the charge transfer resistance and a decrease in the double layer capacitance. It was found that the adsorption of this compound obeyed the Langmuir adsorption isotherm. The associated activation energies and thermodynamic parameters of the adsorption process were evaluated and discussed. The temperature effect was studied in the range from 303 to 333 K. In addition, quantum chemical calculations based on the density function theory (DFT) and Monte Carlo simulations were done to support the experimental results.

Keywords : benzohydrazide derivative; corrosion inhibition; carbon steel; HCl; DFT; Monte Carlo simulations.

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