Journal
PROTECTION OF METALS AND PHYSICAL CHEMISTRY OF SURFACES
Volume 54, Issue 5, Pages 917-925Publisher
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S2070205118050076
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Funding
- Science and Technology Program of Guizhou Province [QKH-JC2016-1149]
- Material Corrosion and Protection Key Laboratory of Sichuan Province [2016CL06]
- Research Fund for the Doctoral Program of Tongren University [trxyDH1510]
- Guizhou Provincial Department of Education Foundation [QJHKYZ2016-105, 2016-009]
- National Natural Science Foundation of China [21706195]
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The mutually corroborated electrochemical measurements and theoretical calculations were used to investigate the corrosion inhibition performances of purpald (4-amino-3-hydrazino-5-mercapto-1,2,4-triazole, AHMT) and its synergistic effect with tartaric acid (TA) on mild steel in 0.5 M H2SO4 solution. The experimental results show that the inhibition efficiency increases with the concentration of AHMT and increases further when TA exists. Density functional theory (DFT) calculations were performed to interpret the measured data and trends observed in the electrochemical studies. Furthermore, molecular dynamic simulation revealed a nearly flat configuration for molecules on metal surface with negative adsorption energies in a sequence agreed with experimental observation.
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