Insights into surface-adsorbate interactions in corrosion inhibition processes at the molecular level

ÖZCAN M., Toffoli D., Ustunel H., DEHRİ İ.

CORROSION SCIENCE, cilt.80, ss.482-486, 2014 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 80
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1016/j.corsci.2013.11.062
  • Dergi Adı: CORROSION SCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.482-486
  • Anahtar Kelimeler: EIS, Modeling studies, Acid corrosion, Acid inhibition, MILD-STEEL CORROSION, HYDROCHLORIC-ACID SOLUTION, MACROCYCLIC POLYETHER COMPOUNDS, CARBON-STEEL, SULFURIC-ACID, BENZOTRIAZOLE ADSORPTION, IRON SURFACE, SCHIFF-BASES, IMPEDANCE, DERIVATIVES
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

2-((3-Methylpyridine-2-imino)methyl)phenol (MPIMP) was investigated as a potential corrosion inhibitor for mild steel in 0.5 M HCI solution using impedance spectroscopy (IS). Changes in impedance parameters indicated that adsorption of MPIMP occurred on the mild steel surface. Three stable adsorption configurations for MPIMP on the Fe(11 0) surface were identified as a result of geometry optimization starting from several adsorption geometries using density functional theory (DFT). Involvement of the delocalized pi-electrons of the aromatic rings in the interaction provides extra stabilization to the flat adsorption configurations. (C) 2013 Elsevier Ltd. All rights reserved.