Insights into the inhibition mechanism of three 5-phenyltetrazole derivatives for copper corrosion in sulfuric acid medium via experimental and DFT methods

By B. Tan, Shengtao Zhang, Hongyan Liu, Y. Qiang, Wenpo Li, Lei Guo, Shijin Chen. Journal of the Taiwan Institute of Chemical Engineers / Elsevier, 2019

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Abstract 5-Phenyltetrazole (PT), 5-(2-Bromophenyl)-1H-Tetrazole (5-2-BPT), 5-(4-Bromophenyl)-2H-Tetrazole (5-4-BPT) as inhibitors for Cu corrosion in 0.5 M H 2 SO 4 were evaluated via experimental and DFT methods. Electrochemical test data show that they are all mixed-type inhibitors and exhibit remarkable corrosion inhibition ability. The order of corrosion inhibition efficiency is 5-4-BPT > 5-2-BPT > PT. The morphology tests also convincingly prove this sequence of inhibition efficiency. The adsorption of 5-4-BPT, 5-2-BPT and PT on the copper surface is consistent with Langmuir isotherm model. DFT calculation results show that their adsorbed on the Cu surface by N Cu bond perpendicular adsorption to obtain the most stable adsorption configuration.

Subfields: Civil and Structural Engineering, Materials Chemistry, Metals and Alloys

View Paper: https://www.semanticscholar.org/paper/73a983b27a345c2272f540ddd275305edec8e4c2