Evaluation of N80 Carbon Steel Corrosion in 15 wt.% HCl Using Isatin-hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and DFTB Calculations

Journal article

Abdelkarim Ait Mansour, Abderrazzak Elmoutaouakil Ala Allah, Hassane Lgaz, Mouslim Messali, Han-seung Lee, Lahcen Bazzi, Rachid Salghi, Youssef Ramli, Belkheir Hammouti
Journal of Molecular Structure, vol. 1321, 2025

DOI: 10.1016/j.molstruc.2024.139910

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APA Click to copy
Ait Mansour, A., Elmoutaouakil Ala Allah, A., Lgaz, H., Messali, M., Lee, H.-seung, Bazzi, L., … Hammouti, B. (2025). Evaluation of N80 Carbon Steel Corrosion in 15 wt.% HCl Using Isatin-hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and DFTB Calculations. Journal of Molecular Structure, 1321. https://doi.org/10.1016/j.molstruc.2024.139910

Chicago/Turabian Click to copy
Ait Mansour, Abdelkarim, Abderrazzak Elmoutaouakil Ala Allah, Hassane Lgaz, Mouslim Messali, Han-seung Lee, Lahcen Bazzi, Rachid Salghi, Youssef Ramli, and Belkheir Hammouti. “Evaluation of N80 Carbon Steel Corrosion in 15 Wt.% HCl Using Isatin-Hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and DFTB Calculations.” Journal of Molecular Structure 1321 (2025).

MLA Click to copy
Ait Mansour, Abdelkarim, et al. “Evaluation of N80 Carbon Steel Corrosion in 15 Wt.% HCl Using Isatin-Hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and DFTB Calculations.” Journal of Molecular Structure, vol. 1321, 2025, doi:10.1016/j.molstruc.2024.139910.

BibTeX Click to copy

@article{ait2025a,
  title = {Evaluation of N80 Carbon Steel Corrosion in 15 wt.% HCl Using Isatin-hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and DFTB Calculations},
  year = {2025},
  journal = {Journal of Molecular Structure},
  volume = {1321},
  doi = {10.1016/j.molstruc.2024.139910},
  author = {Ait Mansour, Abdelkarim and Elmoutaouakil Ala Allah, Abderrazzak and Lgaz, Hassane and Messali, Mouslim and Lee, Han-seung and Bazzi, Lahcen and Salghi, Rachid and Ramli, Youssef and Hammouti, Belkheir}
}

This is the author’s accepted manuscript of an article published in Ceramics International. The final published version is available at: https://doi.org/10.1016/j.molstruc.2024.139910

ABSTRACT: The adverse effects of corrosion on industrial metals, particularly N80 carbon steel under acidic conditions, call for developing effective corrosion inhibitors. Due to their structural and electrical properties, isatine-hydrazones have emerged as possible corrosion inhibitors. This study investigates the corrosion inhibition capabilities of two specific Isatin-hydrazones, (E)-1-octyl-3-(2-(5-oxo-4,4-diphenyl)-4,5-dihydro-1H-imidazol-2-yl)hydrazono)indolin-2-one (OPHIHI) and (E)-3-(2-(5-oxo-4,4-diphenyl)-4,5-dihydro-1H-imidazol-2-yl)hydrazono)indolin-2-one (OIHIHI), on N80 carbon steel in a highly acidic medium. The study assessed the corrosion inhibition efficacy of OIHIHI and OPHIHI using both computational and experimental approaches. Weight loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy were used in the experiments. In contrast, density functional theory (DFT), molecular dynamics (MD), and tight-binding density functional theory (DFTB) were used in the computational analyses to elucidate the interaction mechanisms between the inhibitors and metal surfaces. The experiment demonstrated that both OPHIHI and OIHIHI effectively reduce corrosion rates in a 15 wt.% HCl solution at 303 K, achieving an inhibition efficiency of 96 % and 92 %, respectively, at an optimal 5 × 10−3 mol/L concentration. These inhibitors were discovered to form protective layers on the N80 carbon steel surface, offering mixed protective qualities (cathodic and anodic protection) with a preponderance of cathodic protection against carbon steel corrosion in 15 wt.% HCl. Computational studies supported the experiment's findings by demonstrating that isatin-hydrazones' superior electronic properties enabled them to form robust covalent bonds with the Fe (110) surface. Based on these results, OPHIHI and OIHIHI could be used as corrosion inhibitors in the oil and gas industry, particularly under highly acidic conditions.

KEYWORDS: Corrosion Inhibition; DFTB; Electrochemical techniques; Isatin-hydrazone; Molecular Dynamics; N80 steel

Anodic protection; Cathodic protection; Corrosion rate; Corrosive effects; Degradation; Electrochemical corrosion; Electrochemistry; Electrolysis; Finite automata; Iron; Metal analysis; Potentiodynamic polarization; Rate constants; Redox reactions; Spectroscopic analysis; Steel corrosion; 1H-imidazole; Acidic conditions; Carbon steel corrosion; Corrosion inhibition; Density-functional-theory; DFTB; Electrochemical techniques; Hydrazones; Isatin-hydrazone; N80 Steel; Molecular dynamics