A benzimidazolium salt as effective corrosion inhibitor against the corrosion of mild steel in acidic medium: experimental and theoretical studies

ŞAHİN N., KAYA S., Aydin O., Katin K. P., Chaouiki A., GÜRBÜZ N., ...Daha Fazla

JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY, cilt.36, sa.23-24, ss.2665-2687, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 36 Sayı: 23-24
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1080/01694243.2022.2067433
  • Dergi Adı: JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, INSPEC, Metadex, Civil Engineering Abstracts
  • Sayfa Sayıları: ss.2665-2687
  • Anahtar Kelimeler: Benzimidazolium, theoretical techniques, corrosion inhibitor, electrochemical techniques, mild steel, HCl, ELECTRONIC-STRUCTURE, MAXIMUM HARDNESS, LATTICE ENERGIES, COMBINED DFT, DERIVATIVES, ELECTROPHILICITY, MECHANISM, SURFACE
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

A new benzimidazolium salt (1-Allyl-3-(2,3,5,6-tetramethylbenzyl)-5,6-dimethylbenzimidazoliumchloride) is characterized by using H-1 NMR and C-13(H-1) NMR spectroscopies. The corrosion inhibition performance of benzimidazolium salt for mild steel in an acidic medium is investigated with the help of both experimental and theoretical tools. The experimental part of inhibition analysis includes the use of electrochemical impedance spectroscopy (EIS), linear sweep voltammetry, potentiodynamic polarization techniques, and surface characterizations are made. In the theoretical part, Density Functional Theory calculations are performed to discuss the corrosion inhibition efficiency using quantum chemical parameters. Molecular Dynamic Simulation calculation is made to analyze adsorption properties and characteristics of synthesized molecules on mild steel. Experimental studies show that the inhibition efficiency is calculated as 97.6% from EIS results for 5 x 10(-3) M inhibitor. Both experimental analyses and theoretical calculations proved that the studied inhibitor molecule is exhibiting higher inhibition efficiency.