Yazar "Damej, M." seçeneğine göre listele

Listeleniyor 1 - 2 / 2
  • Küçük Resim Yok
    Öğe
    Experimental and theoretical explorations of S-alkylated mercaptobenzimidazole derivatives for use as corrosion inhibitors for carbon steel in HCl
    (Elsevier, 2021) Damej, M.; Benmessaoud, M.; Zehra, S.; Kaya, S.; Lgaz, Hassane; Molhi, A.; Labjar, N.
    Two mercaptobenzimidazole derivatives, namely the 1H-benzimidazol-2-thioyl hexane (MBI-C-6) and the 1H-benzimidazol-2-thioyl dodecane (MBI-C-12) were synthesized. The corrosion inhibiting potential of both compounds was studied in HCl solution (1.0 M HCl) for carbon steel. The investigation was conducted using gravimetric, electrochemical, Density Functional Theory (DFT), and molecular dynamics (MD) assessment methods. The carbon steel surfaces with or without the MBI-C-6 and MBI-C-12 were also assessed employing a Scanning Electron Microscope (SEM). The findings showed a high inhibition efficiency for both MBI-C-6 and MBI-C-12 at low concentrations, reaching 90% and 95.7% for MBI-C6 and MBI-C-12 at 10(-3) mol/L, respectively. Impedance results showed that the polarization resistance was greatly increased, from an initial value for the CS (in blank) of 12 up to 241 Omega cm(2) for the inhibited solution (1.0 mol/L HCl with 10(-3) mol/L of MBI-C-12). Tested compounds inhibited CS corrosion through a physical-chemical adsorption mechanism that followed Langmuir adsorption isotherm model with a change in the free energy of adsorption from -35.97 to -38.63 kJ/mol. DFT calculations and MD simulations were used to check the effect of the molecular structure of MBI-C-6 and MBI-C-12 on their reactivity and, on the other hand, to explain their adsorption mode on themetal surface. By scanning electron microscopy (SEM), the adequate protection of carbon steel by the usage of MBI-C-6 and MBI-C-12 in 1.0 M HCl was confirmed. All the outcomes from experimental findings and theoretical calculations were in line. (C) 2021 Elsevier B.V. All rights reserved.
  • Küçük Resim Yok
    Öğe
    The corrosion inhibition and adsorption behavior of mercaptobenzimidazole and bis-mercaptobenzimidazole on carbon steel in 1.0 M HCl: Experimental and computational insights
    (Elsevier, 2021) Damej, M.; Kaya, S.; EL Ibrahimi, B.; Lee, H-S.; Molhi, A.; Serdaroglu, G.; Benmessaoud, M.
    Mercaptobenzimidazoles are an important class of biologically active compounds and one of the most frequently encountered heterocycles in industrial and medicinal chemistry. Herein, bis-mercaptobenzimidazole (bis-MBI) has been synthesized and characterized, in the aim to investigate and compare its corrosion inhibition performance with mercaptobenzimidazole (MBI) for carbon steel (CS) in 1.0 M HCl. Investigations were carried out by combining electrochemical and surface characterization techniques with computational calculations. Experimental results revealed that tested molecules have good inhibition effects against CS corrosion with bis-MBI showing the highest inhibition efficiency (92% at 1 mM). Potentiodynamic polarization measurements displayed that both inhibitors showed high cathodic effects, adsorbed on steel surface through physical and chemical interactions following a Langmuir isotherm model. Natural bond orbitals (NBO) analysis was conducted to evaluate donor-acceptor (D-A) interactions and nature of bonding in tested molecules. In addition, the adsorption of inhibitors' molecules on steel surface was simulated by molecular dynamics (MD) in a simulation cell that includes all corrosive species. Results from this work showed that bis-mercaptobenzimidazole can be used as effective corrosion inhibitor for carbon steel.