A combination of experiment and theoretical methods to study the novel and low-cost corrosion inhibitor 1-hydroxy-7-azabenzotriazole for mild steel in 1 M sulfuric acid.

1-Hydroxy-7-azabenzotriazole (HOAT) was explored experimental and theoretical computation methods as a corrosion inhibitor for mild steel in 1 M sulfuric acid. These data indicate that HOAT has good ability to suppress corrosion of the mild steel, with ideal agreement with between experimental and computational results. Besides, the electrochemical experiments show that HOAT is a mixed-type corrosion inhibitor for mild steel in 1 M HSO. Furthermore, HOAT adsorption on the surface of steel conforms to the Langmuir isotherm model. Finally, computational simulation was executed to deeply investigate the mechanism to HOAT inhibition corrosion of steel.