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

Electrochemical and quantum chemical studies on phthalhydrazide as corrosion inhibitor for mild... 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 E HOMO (highest occupied molecular orbital), E LUMO (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). http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

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

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Publisher
Springer Netherlands
Copyright
Copyright © 2011 by Springer Science+Business Media B.V.
Subject
Chemistry; Inorganic Chemistry; Physical Chemistry; Catalysis
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1007/s11164-011-0362-3
Publisher site
See Article on Publisher Site

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 E HOMO (highest occupied molecular orbital), E LUMO (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).

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Aug 24, 2011

References

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