Abstract
•Two novel organoselenium-based N-mealanilic acids were successfully synthesized.•The corrosion protection of the synthesized organoselenium compounds for al alloy was examined in HCl.•Electrochemical findings revealed the inhibition efficiency increase with increasing inhibitor dose with maximum protection efficacy (98.2%).•Surface morphology examines by FE-SEM/EDX and XPS established the formation of a protective layer on the al surface.•In-Silico modeling (DFT and MC simulations) reinforce the empirical findings.
Despite the exciting activities of organoselenium compounds, their anticorrosive efficiency was scarcely valued in the literature. Herein, two novel organoselenium-based N-mealanilic acids Namely: (E)-4-((2-(methoxycarbonyl)-4-selenocyanatophenyl)amino)-4-oxobut-2-enoic acid (NMSeCN) and (2E,2′E)-4,4′-((diselanediylbis(2-(methoxycarbonyl)-4,1-phenylene))bis(azanediyl))bis(4-oxobut-2-enoic acid) (NMSe2) were synthesized.
Their corrosion inhibition was examined towards 6061 aluminum alloy in 1.0 mol L − 1 HCl utilizing potentiodynamic polarization (PP), impedance spectroscopy (EIS), Energy-dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), Density Functional Theory (DFT), and Monte Carlo (MC) simulations.
Electrochemical findings revealed the inhibition efficiency enhance in the order: NMSe2 > NMSeCN with extreme protection efficacy (98.2%) obtained at 6.4 × 10−3 mol L − 1 of NMSe2. Both cathodic (βc) and anodic (βa) Tafel constants were appreciably influenced by the insertion of the additives into the corrosion solution suggesting a mixed type reduces both anodic and cathodic reaction. The adsorption of the NMSeCN and NMSe2 on the aluminum surface is spontaneous and followed the isotherm of Langmuir. The annealing adsorption simulations showed a nearly flat configuration of NMSeCN and NMSe2 molecules on Al (1 1 1) surface which endorses optimal surface coverage. DFT calculations showed that the donation ability of NMSe2 inhibitor to the Al alloy interface is higher than the NMSeCN which in turn was in good agreement with the electrochemical experiments. According to the experimental and theoretical outcomes, the inhibition mechanism was suggested.
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