Abstract: 2-Thiobenzyl-6-Methylbenzoxazole (2-TB6MBXA) has been tested as an inhibitor of copper corrosion in 2M HNO3, using mass loss method and a quantum chemical method based on DFT (B3LYP/6-31G (d)). The results show that this molecule is a good inhibitor. 2-TB6MBXA adsorbs on copper according to Langmuir modified adsorption isotherm. The thermodynamic adsorption and activation parameters indicate a chemisorption process and an endothermic dissolution process. The molecular and chemical reactivity descriptors (global and local) confirm the experimental data.
Keywords: Copper, corrosion inhibition, DFT, mass loss, nitric acid, 2-Thiobenzyl-6-Methylbenzoxaxole
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