Enhanced corrosion resistance of carbon steel in an aggressive environment by a recently developed pyrazole derivative: Electrochemical, SEM/XPS/AFM, and theoretical investigation

Timoudan N., El Faydy M., Titi A., Warad I., Benhiba F., Alsulmi A., ...Daha Fazla

JOURNAL OF SOLID STATE ELECTROCHEMISTRY, cilt.28, sa.8, ss.2837-2860, 2024 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 28 Sayı: 8
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1007/s10008-024-05846-1
  • Dergi Adı: JOURNAL OF SOLID STATE ELECTROCHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Compendex, INSPEC
  • Sayfa Sayıları: ss.2837-2860
  • Anahtar Kelimeler: AFM, Carbon steel corrosion, DFT, Langmuir, MDs, Pyrazole, SEM, XPS, XRD
  • Atatürk Üniversitesi Adresli: Evet

Özet

In this paper, a new pyrazole derivative, namely, (2-(((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amino)-5-nitrophenyl)(phenyl) methanone (2-DPM) was uniquely used as an inhibitor of corrosion for carbon steel (C-S) in acidic solution (1 M HCl). Numerous techniques include electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), surface morphology analysis (SEM), energy-dispersive X-ray spectrometry (EDX), atom force microscopy (AFM), angle of contact, X-ray diffraction analysis (XRD), X-ray photoelectron spectroscopy (XPS), and UV-visible analysis. Molecular dynamic simulations (MDs) and quantum chemical computations (DFT) were utilized to assess the 2-DPM ability. The results show that the inhibitor, acting in a mixed inhibitory mode, considerably reduces the incidence of C-S corrosion by protecting the metal surface with an effective protective layer. The chemically adsorbed novel pyrazole (2-DPM) molecule has an improved corrosion performance of nearly 96% at 303 K, which is supported by EIS and theoretical analyses. The Langmuir isotherm model was shown to regulate the adsorption of 2-DPM on the surface of C-S. Finally, there is a strong correlation between theoretical research and experimental findings.