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

Publication date: Available online 3 July 2019Source: Journal of the Taiwan Institute of Chemical EngineersAuthor(s): Bochuan Tan, Shengtao Zhang, Hongyan Liu, Yujie Qiang, Wenpo Li, Lei Guo, Shijin ChenAbstract5-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 H2SO4 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 NCu bond perpendicular adsorption to obtain the most stable adsorption configuration.
Source: Journal of the Taiwan Institute of Chemical Engineers - Category: Chemistry Source Type: research