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).
Research on Chemical Intermediates – Springer Journals
Published: Aug 24, 2011
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