((E)-1-((4-Fluorophenyl)diazenyl)naphthalen-2-ol as an innovative and efficient corrosion inhibitor for carbon steel in 1 M HCl solution: Electrochemical analysis coupled with electronic/atomic- scale computational simulations
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In the current paper, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS) were employed to evaluate (E)-1-((4-fluorophenyl)diazenyl)naphthalen-2-ol (E4FN) ability to operate as carbon steel (CS) corrosion inhibitor in molar HCl acid. Data derived from PDP plots reveal that E4FN has a mixed-type nature. EIS outcomes show that increasing E4FN concentration lead to 20 times increment of polarization resistance (R p) and alters the double layer capacitance (C dl) from 116.2 to 54 μF·cm-2. The addition of 10-3 M of E4FN into the solution exhibit a maximal inhibition efficacy of 94.8%. The thermodynamic Int. J. Corros. Scale Inhib., 2023, 12, no. 3, 1102-1135 1103 activation descriptors were also assessed as a function of E4FN concentration. The adsorption of the inhibitory molecule on CS substrate obey to Langmuir isotherm. To confirm the adsorption phenomenon, scanning electron microscopy (SEM) coupled to energy dispersive X-ray spectroscopy (EDS) and UV-Visible methods were used. Overall, the findings reveal that E4FN compound enables to obtain an adequate prevented surface and mitigate the corrosion rate. Finally, the theoretical studies based on quantum chemical analysis (i.e. density functional theory (DFT)) and Monte Carlo simulation were also performed for understanding the adsorption mechanism of E4FN onto Fe-surface.

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