The role of 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol in the inhibition of nickel–aluminum bronze alloy corrosion: electrochemical and DFT studies

The role of 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol in the inhibition of nickel–aluminum... Inhibition of corrosion of nickel–aluminum bronze alloy (NAB) by use of 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol (APTT) was investigated by monitoring weight loss and open-circuit potentials (OCP), and by use of electrochemical impedance spectroscopy (EIS). Quantum chemical data were calculated by use of the density functional theory (DFT) model. Results showed that APTT inhibits corrosion of NAB alloy fairly well. The efficiency of inhibition increases with increasing concentration of APTT, and adsorption of the inhibitor obeys the Langmuir adsorption isotherm model. Negative values of adsorption free energy indicate chemical adsorption is spontaneous. The theoretical study showed that sulfur and nitrogen atoms (S, N7 and N8) were the reactive sites. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

The role of 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol in the inhibition of nickel–aluminum bronze alloy corrosion: electrochemical and DFT studies

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Publisher
Springer Netherlands
Copyright
Copyright © 2011 by Springer Science+Business Media B.V.
Subject
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1007/s11164-011-0328-5
Publisher site
See Article on Publisher Site

Abstract

Inhibition of corrosion of nickel–aluminum bronze alloy (NAB) by use of 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol (APTT) was investigated by monitoring weight loss and open-circuit potentials (OCP), and by use of electrochemical impedance spectroscopy (EIS). Quantum chemical data were calculated by use of the density functional theory (DFT) model. Results showed that APTT inhibits corrosion of NAB alloy fairly well. The efficiency of inhibition increases with increasing concentration of APTT, and adsorption of the inhibitor obeys the Langmuir adsorption isotherm model. Negative values of adsorption free energy indicate chemical adsorption is spontaneous. The theoretical study showed that sulfur and nitrogen atoms (S, N7 and N8) were the reactive sites.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: May 28, 2011

References

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