Li Dongyu, Quan Bianli, Li Junqi, Chen Chaoyi, Xu Jun, Wang Hanli
College of Materials and Metallurgy, Guizhou University, Guiyang, 550025, China.
Guizhou Province Key Laboratory of Metallurgical Engineering and Process Energy Saving, Guiyang, 550025, China.
Sci Rep. 2024 Sep 27;14(1):22301. doi: 10.1038/s41598-024-72639-x.
In this study, the corrosion electrochemistry and corrosion behavior of two steels were studied under the simulated alumina production conditions. The corrosion rate of 16Mn steel is greater than that of Q235 steel. The effect of S concentration on corrosion rate was significantly higher than that of SO. The synergistic corrosion rates of Q235 and 16Mn steels increase at first and then decrease with the sulfur content, and the peak value appears when the concentration of S and SO is 4 g/L and 3 g/L respectively. There are two main types of corrosion products: one is surface octahedral grain, which is composed of FeO, FeO and AlO.The other is the interlayer corrosion between the surface layer and the matrix, which is composed of FeS, FeS and NaFeO.The formation mechanism of the corrosion and corrosion mechanism were obtained by analyzing the phenomenon of ion competitive adsorption. Further validation and analysis of ion competition adsorption phenomenon were conducted using first-principles calculations based on density functional theory (DFT). The formation of corrosion products on the steel surface was investigated at an ion level, and the adsorption energies of OH and S at the top site of Fe(110) surface were calculated. It was found that S is more likely to be adsorbed on the Fe(110) surface compared to OH. The corrosion mechanism of steel is discussed preliminarily.
本研究在模拟氧化铝生产条件下,对两种钢材的腐蚀电化学及腐蚀行为进行了研究。16Mn钢的腐蚀速率大于Q235钢。硫浓度对腐蚀速率的影响显著高于硫酸根。Q235钢和16Mn钢的协同腐蚀速率随硫含量先升高后降低,当硫和硫酸根浓度分别为4 g/L和3 g/L时出现峰值。腐蚀产物主要有两种类型:一种是由FeO、FeO和AlO组成的表面八面体晶粒;另一种是由FeS、FeS和NaFeO组成的表层与基体之间的层间腐蚀。通过分析离子竞争吸附现象,得出了腐蚀的形成机理和腐蚀机制。基于密度泛函理论(DFT)的第一性原理计算对离子竞争吸附现象进行了进一步验证和分析。从离子层面研究了钢材表面腐蚀产物的形成,计算了OH和S在Fe(110)表面顶位的吸附能。结果发现,与OH相比,S更易吸附在Fe(110)表面。初步探讨了钢材的腐蚀机理。