Abstract
To provide a theoretical basis for the design of super austenitic stainless steel used in flue gas desulfurization environment, by changing the Cu content in 00Cr20Ni18Mo6CuN super austenitic stainless steel to explore the influence of Cu on its corrosion resistance, by electrochemical methods, XPS and first-principle computational simulations. The results show that Cu promotes the selective dissolution of Fe, Cr and Mo in stainless steel, and the copper content changes the proportion of compounds in the passive film, as well as its surface quality, resistance and defect density. The addition of one Cu atom increases the adsorption energy and work function of NH(3) on Cr(2)O(3) surface, reduces the charge transfer and hybridization. However, when the Cu content exceeds 1 wt%, the surface of the passive film is loose and has many defects. The appearance of oxygen vacancy and two Cu atoms leads to the decrease of adsorption energy and work function, and enhances the charge transfer and hybrid effect. The optimal Cu content is obtained through research, which not only improves the corrosion resistance of 00Cr20Ni18Mo6CuN super austenitic stainless steel in flue gas desulfurization environment, prolonging the service life of 00Cr20Ni18Mo6CuN super austenitic stainless steel, but also has practical application value.