Influence of phosphate ions on passive film formation in amino acid-containing concrete pore solutions with chloride ions
Journal of Building Engineering(2023)
摘要
There is need for development of highly effective green corrosion inhibitors to protect steel rebar. In the present study, 2 wt % L-arginine (LA: C6H14N4O2) with different amounts (i.e., 0.1, 0.25 and 0.50 wt %) of trisodium phosphate dodecahydrate (SP: Na3PO4∙12H2O) was used as an eco-friendly corrosion inhibitor in a simulated concrete pore (SCP) solution with 3.5 wt % NaCl to mitigate the corrosion of steel rebar. Steel rebar immersed in 2 wt % LA with 0.25 wt % SP (i.e., L2P2 solution) exhibited excellent corrosion resistance by forming P-zwitterion-(Cl)–Fe, zwitterion-(Cl)–Fe, and FePO4 complexes as uniform and protective passive films. However, SP concentrations lesser or greater than 0.25 wt % with 2 wt % LA exhibited a reduction in total impedance. The small amount of SP could not form and stabilize the P-zwitterion-(Cl)–Fe complex, whereas a large amount caused competition between P-zwitterion-(Cl)–Fe and zwitterion-(Cl)–Fe complexes where phosphate ions interfere with the formation of P-zwitterion-(Cl)–Fe. Therefore, a proper concentration of phosphate ions is required to form and stabilize the P-zwitterion-(Cl)–Fe and FePO4 complexes. Density functional theory (DFT) and molecular dynamic (MD) simulation results suggest that the energy gap (ΔE) for formation of LA-P (C6H13O5N4P: N(ω)-phosphonato-L-Arginine) is high, and it tends to strongly adsorb from amino acid groups and carbon chains until N–P bonds are formed.
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关键词
Carbon steel,Eco-friendly hybrid inhibitor,Passive film,Simulated concrete pore solution,Zwitterion,Computational study
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