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Organic corrosion inhibitors can be used to prevent chloride‐induced corrosion in reinforced concrete structures by improving the performance of the reinforcement. In this theoretical study Molecular Mechanics (MM) and Molecular Dynamics (MD) simulations are performed in order to better understand the interaction mechanisms with the passive film present on steel, in particular considering an iron...
Inhibitors are largely used to prevent chloride‐induced corrosion in reinforced concrete structures thanks to both a barrier effect on chloride penetration and a competition with the adsorption of the inhibitor. The interaction mechanisms between passive film on carbon steel, the inhibitor molecule, and chlorides still require deeper understanding. Theoretical studies based on molecular mechanics...
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