Corrosion mechanism and corrosion behavior prediction of Cu-10Ni-X alloys in NaCl solution combining DFT calculation and experiments.

The corrosion resistance of Cu-Ni-based alloys depends on their Cu 2 O passivation film, and the effect of third element X is hardly characterized. The corrosion behavior and mechanisms of Cu-10Ni-X (Al, Fe, Mn, Cr, Sn, Ti, Zn) alloys in a 3.5% NaCl solution were systematically investigated combining DFT calculation and experiments. Both computational and experimental results revealed that except Ti, other elements could enhance the corrosion resistance of Cu 2 O passivation film, and the effect was ranked as Fe > Cr > Mn > Al > Sn > Zn. Based on DFT and experimental data, a corrosion behavior prediction model was established. [Display omitted] ● The corrosion behavior and mechanisms of Cu-10Ni-X alloys in 3.5% NaCl solution were investigated. ● Except for Ti that worsened corrosion resistance, the other elements (Al, Fe, Mn, Cr, Sn, Zn) improved it. ● The alloying elements could reduce charge transfer with NaCl and impede NaCl adsorption. ● The corrosion rate of Cu-10Ni-X alloys is linearly correlated with the adsorption energy of Cu 2 O surfaces for NaCl. ● Based on DFT and experimental data, a corrosion behavior prediction model was established. [ABSTRACT FROM AUTHOR]