Journal
CORROSION SCIENCE
Volume 52, Issue 10, Pages 3331-3340Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.corsci.2010.06.002
Keywords
Mild steel; EIS; Modelling studies; Acid inhibition
Funding
- Universiti Kebangsaan Malaysia [UKM-GUP-BTT-07-25-170]
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A relationship between quantum chemical parameters for three triazole compounds and their inhibition ability was studied using electrochemical measurements (potentiodynamic polarization and EIS), molecular dynamic method and quantum chemical calculations. Electrochemical measurements results revealed that the inhibition efficiencies increased with the concentration of inhibitors. The molecular dynamic method results showed that the higher interaction potential between the inhibitor and metal surface, the higher the inhibition efficiency. The quantum chemical calculation results showed that the triazole ring is the active site in these inhibitors and they can absorb on Fe surface by donating electrons to Fe d-orbital. (C) 2010 Elsevier Ltd. All rights reserved.
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