In this work, we studied 2-phenylbenzimidazole (PBI) as a corrosion inhibitor for X65 steel in H2SO4medium. The inhibition performance of PBI for X65 steel were studied using weight loss,electrochemical experiments, surface analysis and computational modelings. The results indicate thatPBI has a superior anti-corrosion performance and belongs to modest cathodic-type corrosion inhibitor.The adsorption behavior of PBI molecule on steel conforms to Langmuir adsorption model. Theadsorption type is a combination of physical and chemical adsorption. SEM morphology analysis canprove inhibition performance of PBI. DFT calculation and molecular dynamics simulations haverevealed active adsorption sites and adsorption configuration of PBI molecule on Fe substrate.
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