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Anti-Corrosive Properties of (1-benzyl-1H-1,2,3-triazol-4-yl) Methanol on Mild Steel Corrosion in Hydrochloric Acid Solution: Experimental and Theoretical Evidences

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Abstract

The corrosion inhibitory effect of (1-benzyl-1H-1,2,3-triazol-4-yl) methanol (BTM) for mild steel in 1 M HCl at (298–328 K) was studied using electrochemical impedance spectroscopy (EIS), Tafel polarization curves and weight loss measurements. Polarization measurements revealed the mixed type inhibitor character. The inhibiting action of this molecule is discussed in terms of blocking the electrode surface by the adsorption of inhibitor molecules obeying Langmuir isotherm. Quantum chemical calculations using the Density Functional Theory (DFT) were performed to determine the relationship between molecular structure and its inhibition efficiency. Monte Carlo simulations were also applied to search for the most stable configuration and adsorption energies for the interaction of the inhibitor with Fe surface. The theoretical data obtained are, in most cases, in agreement with experimental results.

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Authors and Affiliations

  1. Laboratoire de Chimie Analytique et Moléculaire/LCAM, Faculté Poly-disciplinaire, 46 000, Safi, Morocco

    Ilham Elazhary, Aziz Boutouil, Hicham Ben El Ayouchia, Mouly Rachid Laamari, Mohammadine El Haddad, Hafid Anane &  Salah-Eddine Stiriba

  2. Instituto de Ciencia Molecular/ICMol, Universidad de Valencia, 46980, Valencia, Spain

    Salah-Eddine Stiriba

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  1. Ilham Elazhary
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Correspondence to Mouly Rachid Laamari.

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Ilham Elazhary, Boutouil, A., Ben El Ayouchia, H. et al. Anti-Corrosive Properties of (1-benzyl-1H-1,2,3-triazol-4-yl) Methanol on Mild Steel Corrosion in Hydrochloric Acid Solution: Experimental and Theoretical Evidences. Prot Met Phys Chem Surf 55, 166–178 (2019). https://doi.org/10.1134/S2070205119010118

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