Multi-method examination of ezetimibe as a corrosion inhibitor for mild steel in 1 M HCl corrosive media: Integrating molecular dynamics, electrochemical testing, and morphological analysis

Thakur A., Zarrouk A., Selvaraj M., Singh G., Dagdag O., Berisha A., ...Daha Fazla

Surfaces and Interfaces, cilt.88, 2026 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 88
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1016/j.surfin.2026.109084
  • Dergi Adı: Surfaces and Interfaces
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Anahtar Kelimeler: Corrosion, EIS, Ezetimibe, Mild steel, Molecular dynamics
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

This study explores the corrosion inhibition performance of ezetimibe on mild steel in 1 M HCl solution using electrochemical, spectroscopic, and computational techniques. Electrochemical methods, including Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP) were employed to evaluate corrosion inhibition efficiency. Along with this, SEM, XPS, AFM, and computational analysis were also utilized to evaluate the in-depth corrosion inhibition behavior of the inhibitor on metal. EIS results showed a maximum inhibition efficiency of 95.69% at 200 ppm, with charge transfer resistance (Rct) increasing from 20.92 Ω cm² (blank) to 500.78 Ω cm² (inhibited). Surface morphology assessments using SEM and AFM revealed a smoother, more uniform surface in the inhibited sample compared to the corroded blank. Density Functional Theory (DFT) calculations showed a low energy gap (ΔEgap = 4.248 eV), indicating strong molecular adsorption. This research uniquely repurposes ezetimibe, a pharmaceutical compound, as a green and efficient corrosion inhibitor, bridging medicinal chemistry with surface engineering. Multi-scale analysis reveals its strong protective action, supporting practical use in acid pickling, petrochemical systems, and pipeline protection.