Electrochemical and quantum chemical studies on phthalhydrazide as corrosion inhibitor for mild steel in 1 M HCl solution

Ahmed Y. Musa, Abu Bakar Mohamad, Mohd Sobri Takriff, Ramzi T T Jalgham

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The inhibition ability of phthalhydrazide (PTD) for mild steel in 1 M HCl at 30 °C was investigated by electrochemical measurements [impedance spectroscopy (EIS) and potentiodynamic polarization techniques] and quantum chemical calculations. The frontier molecular orbital energy EHOMO (highest occupied molecular orbital), ELUMO (lowest unoccupied molecular orbital), and the Mulliken charge distribution were calculated and are discussed. Results showed that the inhibition efficiency of PTD increased with inhibitor concentration. The maximum corrosion inhibition efficiency was 77.6% at 2 mM PTD. Adsorption of the inhibitor followed the Langmuir adsorption isotherm. Adsorption of inhibitor molecules on mild steel surface occurred spontaneously and chemically. Quantum chemical calculations showed that the low performance of PTD as a corrosion inhibitor is due to the large energy gap (E HOMO - E LUMO).

Original languageEnglish
Pages (from-to)453-461
Number of pages9
JournalResearch on Chemical Intermediates
Volume38
Issue number2
DOIs
Publication statusPublished - Feb 2012

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Corrosion inhibitors
Molecular orbitals
Carbon steel
Adsorption
Potentiodynamic polarization
Charge distribution
Adsorption isotherms
Energy gap
Spectroscopy
Corrosion
Molecules

Keywords

  • Acid corrosion
  • Corrosion inhibitor
  • EIS
  • Quantum chemical calculations

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Electrochemical and quantum chemical studies on phthalhydrazide as corrosion inhibitor for mild steel in 1 M HCl solution. / Musa, Ahmed Y.; Mohamad, Abu Bakar; Takriff, Mohd Sobri; Jalgham, Ramzi T T.

In: Research on Chemical Intermediates, Vol. 38, No. 2, 02.2012, p. 453-461.

Research output: Contribution to journalArticle

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