Assessment of the inhibitive behavior of a triazole based Schiff base compound in acidic media; an experimental and theoretical approach

Kaleli N. M., EROĞLU F., Sahin M., KALKAN M., EMREGÜL K. C.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1227, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1227
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.molstruc.2020.129700
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Anahtar Kelimeler: Mild steel, Corrosion inhibitor, Acid inhibition, Schiff base, Density functional theory, 1 M HCL, MILD-STEEL CORROSION, CARBON-STEEL, MOLECULAR-DYNAMICS, ADSORPTION, DERIVATIVES, COPPER, PERFORMANCE, MECHANISM, H2SO4
  • Ankara Üniversitesi Adresli: Evet

Özet

The corrosion inhibition of mild steel was investigated in the absence and presence of different concentrations of 2-((5-mercapto-IH-1,2,4-triazole-3-ylimino) methyl) phenol (SAMT) in 2 M HCl at a constant temperature of 303 K. Potentiodynamic polarization, weight loss, and electrochemical impedance spectroscopy (EIS) measurements were applied for experimental evaluation. Adsorption obeyed the Langmuir adsorption isotherm with a mixed physisorption and chemisorption mechanism. Various quantum chemical descriptors like E-HOMO, E-LUMO, Delta E, chemical hardness were calculated and discussed. Results revealed an apparent consistency between the corrosion inhibition efficiency and quantum chemical parameters. (C) 2020 Elsevier B.V. All rights reserved.