A synthesis 3-phenyl-1,2,4-triazole-5-thione as an inhibitor against low carbon steel corrosion in simulated reinforced concrete: Experimental and theoretical studies

• Published in: Chemical Data Collections 2023-04, Vol.44, p.100989, Article 100989
• Main Authors: Doubi, M., Erramli, H., Touir, R., Benhiba, F., Dermaj, A., Errahmany, N., Hajjaji, N., Zarrouk, A.
• Format: Article
• Language: English
• Subjects: 3-phenyl-1,2,4-triazole-5-thione; Chloride ions; Concrete simulation; Electrochemical and theoretical studies; Low carbon steel corrosion inhibition
• ISSN: 2405-8300; 2405-8300
• DOI: 10.1016/j.cdc.2023.100989

In this paper, a 3-phenyl-1,2,4-triazole-5-thione (PTT) was synthesized from non-polluting and less toxic methyl benzoate and thiosemicarbazide using the simple and short method. The obtained PTT was tested as a corrosion inhibitor for low carbon steel (LCS) in 10−2 M NaOH solution, at pH = 12.6 (simulated solution for concrete) by employing electrochemical measurements, scanning electron spectroscopy (SEM) analysis coupled with theoretical studies. The tested compound acts as an anodic type inhibitor, and its inhibition efficacy reaches a value of 99% at 5 × 10−4 M PTT. In addition, a pseudo plate was observed in all cases, where its current value decreases from 1640 µA cm−2 for the blank solution to 0.17 µA cm−2 in the presence of 5 × 10−4 M PTT. EIS indicated the formation of a compact inhibitor film on the LCS surface, which confirmed by the SEM analysis. It is also found that the PTT takes its performance with the presence of corrosion products and the chloride ions. Additionally, it is found that the inhibition efficiency of the PTT increases with immersion time (89% after 18 h). Finally, the DFT calculation and MD simulations confirm the inhibition character of the tested compound obtained experimentally. [Display omitted] Voltamograms, EIS diagrams, proposed adsorption, images and coverage density views for LCS in 10−2 M NaOH at the absence and the presence of PTT.