Hindering Corrosion of Carbon Steel in the Hydrochloric Medium by a Newly Synthesized Quinolines: Experimental and Computational Approaches
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The main objective of the research is to scrutinize the anticorrosive performance of a newly synthesized quinoline named (E)-5-(((4-nitrobenzylidene)amino)methyl)quinolin-8-ol (NBMQ) on corrosion-resistant carbon steel (CSt) in an acidic environment. The structure of this synthetic inhibitor was confirmed by 13C-1H NMR and elemental analysis. Experimental approaches such as loss of weight, EIS, PDP, and SEM were employed to assess the inhibition performance of NBMQ. The link among the electronic structure and the anticorrosive performance of NBMQ was revealed by a quantum mechanics study of density functional theory (DFT) and molecular dynamic simulations. Electrochemical findings collected from PDP demonstrate that the NBMQ acts as a mixed type. Also, EIS results indicate excellent control of NBMQ molecules, with an important efficiency of 94% at 10–3 M. The thermodynamic study showed that NBMQ exhibits high adsorption stability with increased temperature and that adsorption obeys the Langmuir isotherm model. The DFT calculations have clearly shown that the rate of surface recovery depends mainly on local reactivity descriptors. The theoretical outcomes of DFT agree with the experimental investigation.

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