Abstract
The inhibition performance of 2-(2′-hydroxylphenyl)benzothiazole, (1), 2-(2′,5′-dihydroxyphenyl)benzothiazole, (2), and (4-benzothiazole-2-yl-phenyl)-dimethyl-amine, (3), has been investigated for mild steel in 1M HCl. Notably, compound 3 shows 95% inhibition efficiency at 50ppm (by weight) concentration. The adsorption of these compounds obeys the Langmuir adsorption isotherm with predominately chemisorption for 3 and comprehensive for 1 and 2. Quantum chemical calculations predicted an inhibition order of 3>2>1, is at odds with the experimental order due the structural effects. Molecular dynamic simulation revealed a nearly flat configuration for molecules on metal surface with negative binding energies in a sequence agreed by the experiments, 3>1>2.
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