Experimental and theoretical study on the inhibition performance of triazole compounds for mild steel corrosion

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126 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)3331-3340
Number of pages10
JournalCorrosion Science
Volume52
Issue number10
DOIs
Publication statusPublished - Oct 2010

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Steel corrosion
Triazoles
Carbon steel
Molecular dynamics
Potentiodynamic polarization
Corrosion inhibitors
Metals
Electrons

Keywords

  • A. Mild steel
  • B. EIS
  • B. Modelling studies
  • C. Acid inhibition

ASJC Scopus subject areas

  • Materials Science(all)
  • Chemical Engineering(all)
  • Chemistry(all)

Cite this

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title = "Experimental and theoretical study on the inhibition performance of triazole compounds for mild steel corrosion",
abstract = "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.",
keywords = "A. Mild steel, B. EIS, B. Modelling studies, C. Acid inhibition",
author = "Musa, {Ahmed Y.} and Kadhum, {Abdul Amir H.} and Mohamad, {Abu Bakar} and Takriff, {Mohd Sobri}",
year = "2010",
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TY - JOUR

T1 - Experimental and theoretical study on the inhibition performance of triazole compounds for mild steel corrosion

AU - Musa, Ahmed Y.

AU - Kadhum, Abdul Amir H.

AU - Mohamad, Abu Bakar

AU - Takriff, Mohd Sobri

PY - 2010/10

Y1 - 2010/10

N2 - 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.

AB - 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.

KW - A. Mild steel

KW - B. EIS

KW - B. Modelling studies

KW - C. Acid inhibition

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U2 - 10.1016/j.corsci.2010.06.002

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SP - 3331

EP - 3340

JO - Corrosion Science

JF - Corrosion Science

SN - 0010-938X

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