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Atomistic Modeling of Corrosion Inhibition: The Role of Oxides

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DataCite Commons2025-11-03 更新2026-02-08 收录
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Corrosion is the degradation of metals through reactions with the atmosphere and has a large economic impact, costing around US$2.5 trillion globally, or 3.4% of GDP. This study aims to realistically model how corrosion inhibitors like 2-mercaptobenzimidazole (MBI) interact with oxidized copper surfaces in water, helping to understand and prevent copper corrosion through detailed simulations of inhibitor, oxide, and solvent interactions.

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BSC Dataverse
创建时间:
2025-10-31
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