Theoretical study of 3-Amino-1, 2, 4-triazole and its protonated analogue as corrosion inhibitors
Author
Source
Issue
Vol. 10, Issue 3 (30 Sep. 2015), pp.161-178, 18 p.
Publisher
Yarmouk University Deanship of Research and Graduate Studies
Publication Date
2015-09-30
Country of Publication
Jordan
No. of Pages
18
Main Subjects
Abstract EN
Quantum chemical calculations were performed on 3-Amino-1, 2, 4-Triazole (ATA) which may be used as a corrosion inhibitor for austenitic stainless steel.
The quantum chemical properties of ATA that are most relevant to its potential action as a corrosion inhibitor have been calculated in the gas phase and in solution for comparison purposes.
Calculations were carried out to study the adsorption of the protonated forms of ATA on metal surfaces.
The molecular properties of the protonated ATA species were compared to those of neutral ATA to determine the preferred species that bind to the metal surface.
American Psychological Association (APA)
Shujayii, Fahima. 2015. Theoretical study of 3-Amino-1, 2, 4-triazole and its protonated analogue as corrosion inhibitors. Jordan Journal of Chemistry،Vol. 10, no. 3, pp.161-178.
https://search.emarefa.net/detail/BIM-647342
Modern Language Association (MLA)
Shujayii, Fahima. Theoretical study of 3-Amino-1, 2, 4-triazole and its protonated analogue as corrosion inhibitors. Jordan Journal of Chemistry Vol. 10, no. 3 (Sep. 2015), pp.161-178.
https://search.emarefa.net/detail/BIM-647342
American Medical Association (AMA)
Shujayii, Fahima. Theoretical study of 3-Amino-1, 2, 4-triazole and its protonated analogue as corrosion inhibitors. Jordan Journal of Chemistry. 2015. Vol. 10, no. 3, pp.161-178.
https://search.emarefa.net/detail/BIM-647342
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 177-178
Record ID
BIM-647342