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

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

CORROSION SCIENCE, vol.80, pp.482-486, 2014 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 80
  • Publication Date: 2014
  • Doi Number: 10.1016/j.corsci.2013.11.062
  • Journal Name: CORROSION SCIENCE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.482-486
  • Keywords: 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
  • Middle East Technical University Affiliated: Yes

Abstract

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.