Nuclear chemistry

Mechanism (biology)

Quantum mechanics

Erosion corrosion of copper water tubes

Adsorption

Engineering

Electrochemistry

Density functional theory

Sulfuric acid

Inorganic chemistry

Chemical engineering

Tetrazole

Stereochemistry

Langmuir adsorption model

Physical chemistry

Combinatorial chemistry

Physics

Organic chemistry

Computational chemistry

Corrosion inhibitor

Corrosion

Chemistry

Electrode

Copper

Journal of the Taiwan Institute of Chemical Engineers

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 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.

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