Article Early Access 2025 · 3 atıf

Experimental and theoretical investigation of corrosion inhibition in carbon steel using a benzimidazole derivative

Timoudan, N., El Foujji, L., Qaiss, A. E. Kacem, Safi, Z., Wazzan, N., Warad, I., Kaichouh, G., Benhiba, F., Zarrok, H., Dikici, B., Bouhfid, R., Bentiss, F., Zarrouk, A.

Özet

To assess the corrosive inhibitive property of 2-[(dodecylthio)methyl]-1H-benzo[d]imidazole (LF3) for carbon steel (C.stl) in 1 M hydrochloric acid, electrochemical studies were used, including potentiodynamic-polarization, and electrochemical impedance spectroscopy (EIS), scanning-electron-microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) atomic force microscope (AFM) analysis, contact-angle, and UV-visible were employed as experiment techniques, quantum chemical computation (QC) & molecular dynamics simulation as theoretical approaches. The protection rate of material increased with increasing concentration in the range 1 x 10-6 M to 1 x 10-3 M LF3 at 303 K. The Nyquist-impedance curve for C.stl in 1 M hydrochloric typically shows a depressed capacitive behavior, suggesting that the inhibitor's adsorption follows the Langmuir-isotherm and involves chemisorption/metal-surface with a Delta Gads value of -45 kJ mol-1, indicating strong adsorption onto the metal surface. The results revealed excellent anticorrosion properties, with maximum inhibition efficiency (eta EIS%) reaching 95.3% at 10-3 M concentrations. The polarization graphs for LF3 exhibits mixed behavior. Evidence from surface morphology analysis, such as scanning electron microscopy with energy-dispersive X-ray analysis (SEM/EDS), atomic force microscope (AFM), contact angle and UV-Visible, confirms this observation. The corrosion inhibition mechanisms are supported by various theoretical analyses, including global quantum chemical descriptors (GQCDs), Fukui/functions, dual local/descriptors, and molecular dynamics (MD) simulations. These theoretical methods back up the experimental results, validating LF3 as an effective-inhibitor for C.stl corrosion acidic-environment.

Anahtar Kelimeler

Benzimidazole derivative carbon steel SEM/eds/AFM UV-visible DFT/MD MILD-STEEL ADSORPTION BEHAVIOR PERFORMANCE INSIGHT EXTRACT

WoS Kategorileri

Chemistry, Physical

Künye

Dergi: JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY
Yıl: 2025
ISSN: 0193-2691
eISSN: 1532-2351
DOI: 10.1080/01932691.2025.2499574
WoS UID: WOS:001481155500001

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