Theoretical evaluation of the corrosion inhibition performance of 1,3-thiazole and its amino derivatives

Theoretical evaluation of the corrosion inhibition performance of 1,3-thiazole and its amino derivatives

The corrosion inhibition performances of three corrosion inhibitors on mild steel in acidic medium, namely 1,3-thiazole (TA), 2-amine-1,3-thiazole (2-ATA), and 4-amine-1,3-thiazole (4-ATA), were theoretically evaluated using quantum chemistry calculations and molecular dynamics simulations both in g...

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Bibliographic Details
Main Authors: Lei Guo, Xiaolei Ren, Yang Zhou, Shenying Xu, Yulong Gong, Shengtao Zhang
Format: Article
Language:English
Published: Elsevier 2017-01-01
Series:Arabian Journal of Chemistry
Subjects:
Thiazole
Corrosion inhibitors
Surface energy
Density functional theory
Molecular dynamics simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535215000234

Internet

http://www.sciencedirect.com/science/article/pii/S1878535215000234

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