Performance and interaction mechanism of a new highly efficient benzimidazole-based epoxy resin for corrosion inhibition of carbon steel in HCl: A study based on experimental and first-principles DFTB simulations

Journal of Molecular Structure(2023)

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摘要
•A benzimidazole-based epoxy inhibitor is effective for C-steel corrosion in HCl.•The inhibitor protects the carbon steel surface through physicochemical adsorption.•Inhibitor-Fe(110) modeling by DFTB suggests the formation of one covalent bond.•PDOSs confirm the physicochemical interactions between BIZ epoxy and iron surface.
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关键词
Corrosion inhibitor,Carbon steel,Epoxy resin,Benzimidazole,Density of states
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