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

The abilities of phthalazine derivatives, including phthalazine (PT), phthalazone (PTO) and phthalhydrazide (PTD), to inhibit the corrosion of mild steel in 1M HCl at 30 degree C were studied using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements. Theoretica...

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Bibliographic Details
Published in:Corrosion science 2012-03, Vol.56, p.176-183
Main Authors: Musa, Ahmed Y., Jalgham, Ramzi T.T., Mohamad, Abu Bakar
Format: Article
Language:English
Subjects:
Carbon steels
Computational efficiency
Computing time
Corrosion
Corrosion inhibitors
Derivatives
Inhibition
Mathematical analysis
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Summary:The abilities of phthalazine derivatives, including phthalazine (PT), phthalazone (PTO) and phthalhydrazide (PTD), to inhibit the corrosion of mild steel in 1M HCl at 30 degree 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
ISSN:0010-938X
DOI:10.1016/j.corsci.2011.12.005