Molecular dynamic and quantum chemical calculations for phthalazine derivatives as corrosion inhibitors of mild steel in 1M HCl

Ahmed Y. Musa, Ramzi T T Jalgham, Abu Bakar Mohamad

Research output: Contribution to journalArticle

194 Citations (Scopus)

Abstract

The abilities of phthalazine derivatives, including phthalazine (PT), phthalazone (PTO) and phthalhydrazide (PTD), to inhibit the corrosion of mild steel in 1. M HCl at 30°C were studied using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements. Theoretical calculations were performed to investigate the electronic structures of the PT derivatives. Our results showed that the inhibition efficiencies of these derivatives improved with increases in concentration. The data also showed that PTD < PT < PTO in terms of the inhibiting efficiency. Theoretical calculations also revealed that PTO is expected to be the best inhibitor among the studied phthalazine derivatives.

Original languageEnglish
Pages (from-to)176-183
Number of pages8
JournalCorrosion Science
Volume56
DOIs
Publication statusPublished - Mar 2012

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Corrosion inhibitors
Carbon steel
Molecular dynamics
Derivatives
Potentiodynamic polarization
Electrochemical impedance spectroscopy
Electronic structure
Corrosion
phthalazine

Keywords

  • A. Mild steel
  • B. Modeling studies
  • C. Acid inhibition

ASJC Scopus subject areas

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

Cite this

Molecular dynamic and quantum chemical calculations for phthalazine derivatives as corrosion inhibitors of mild steel in 1M HCl. / Musa, Ahmed Y.; Jalgham, Ramzi T T; Mohamad, Abu Bakar.

In: Corrosion Science, Vol. 56, 03.2012, p. 176-183.

Research output: Contribution to journalArticle

Musa, Ahmed Y. ; Jalgham, Ramzi T T ; Mohamad, Abu Bakar. / Molecular dynamic and quantum chemical calculations for phthalazine derivatives as corrosion inhibitors of mild steel in 1M HCl. In: Corrosion Science. 2012 ; Vol. 56. pp. 176-183.
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