硅酸盐学报, 2023, 51 (5): 1191, 网络出版: 2023-08-13  

基于第一性原理的不同侵蚀性离子作用下混凝土孔溶液中钢筋腐蚀机理

Corrosion Mechanism of Reinforcement Subjected to Different Corrosive Ions in Concrete Pore Solution Based On First-Principles
作者单位
1 广西大学工程防灾与结构安全教育部重点实验室, 南宁 530004
2 广西大学广西防灾减灾与工程安全重点实验室,南宁 530004
3 广西大学资源环境与材料学院, 南宁 530004
摘要
为了揭示Cl?傆b、SO42?傆b作用下混凝土中钢筋腐蚀机理的差异, 并为氯盐和硫酸盐侵蚀下混凝土的抗腐蚀调控提供理论基础, 研究了Cl?傆b、SO42?傆b侵蚀下混凝土孔溶液中钢筋的电化学行为差异, 并利用基于第一性原理的密度泛函理论研究了腐蚀性物质(Cl?傆b、SO42?傆b)和致钝物质(CaOH+、OH?傆b)在Fe(100)表面的竞争吸附。结果表明: 相较于含Cl?傆b的混凝土孔溶液, 钢筋在含SO42?傆b的混凝土孔溶液中的腐蚀电位和极化电阻均更低, 更易发生腐蚀; SO42?傆b对OH?傆b与铁表面反应的抑制作用略强于Cl?傆b; SO42?傆b既可促使CaOH+中Ca-OH键伸长, 又可阻碍CaOH+中OH基团与表面Fe原子间的作用, 其对CaOH+与铁表面反应的抑制作用明显强于Cl?傆b。
Abstract
To reveal the difference of corrosion mechanism of steel bars in concrete under Cl?傆b and SO42?傆b action, and provide the theoretical basis for the control of concrete corrosion resistance under chloride and sulphate attack, the electrochemical behavior of reinforcement subjected to Cl?傆b and SO42?傆b in concrete pore solutions was investigated, and the competitive adsorptions of corrosive ions (Cl?傆b, SO42?傆b) and passive ions (CaOH+, OH?傆b) on the Fe (100) surface were analyzed by the density functional theory based on the first-principles. The results show that the corrosion potential and polarization resistance of steel reinforcement in concrete pore solution with SO42?傆b both are lower than those in concrete pore solution with Cl?傆b, indicating that the steel reinforcement corrosion occurs more easily in concrete pore solution with SO42?傆b. The inhibition effect of SO42?傆b on the reaction of OH?傆b and iron surface is slightly stronger than that of Cl?傆b. Moreover, SO42?傆b can promote the elongation of Ca-OH bond, and block the interaction of the OH group in CaOH+ and surface Fe atom, showing that the inhibition effect of SO42?傆b on the reaction of CaOH+ and iron is stronger than that of Cl?傆b. The results reveal the corrosion mechanism of steel reinforcement under the attack of Cl?傆b and SO42?傆b in concrete.
参考文献

[1] JEE A A, PRADHAN B. Long term effect of chloride and sulfates concentration, and cation allied with sulfates on corrosion performance of steel-reinforced in concrete[J]. J Build Eng, 2022, 56: 104813.

[2] 张俊喜, 易博, 林德源, 等. 盐渍土环境下钢筋混凝土腐蚀的电化学研究[J]. 建筑材料学报, 2016, 19(2): 390-396.

[3] 张敬书, 张银华, 冯立平, 等. 硫酸盐环境下混凝土抗压强度耐蚀系数研究[J]. 建筑材料学报, 2014, 17(3): 369-377.

[4] 李恺强, 杨璐嘉, 徐云泽, 等. SO42?傆b对模拟孔隙液中Q235B钢筋腐蚀行为的影响[J]. 金属学报, 2019, 55(4): 457-468.

[5] ABD EL HALEEM S M, ABD EL WANEES S, BAHGAT A. Environmental factors affecting the corrosion behaviour of reinforcing steel. V. Role of chloride and sulphate ions in the corrosion of reinforcing steel in saturated Ca(OH)2 solutions[J]. Corros Sci, 2013, 75: 1-15.

[6] ABD EL WANEES S, BAHGAT RADWAN A, ALSHARIF M A, et al. Initiation and inhibition of pitting corrosion on reinforcing steel under natural corrosion conditions[J]. Mater Chem Phys, 2017, 190: 79-95.

[7] AL-TAYYIB A J, SHAMIM KHAN M. Effect of sulfate ions on the corrosion of rebars embedded in concrete[J]. Cem Concr Compos, 1991, 13(2): 123-127.

[8] AL-AMOUDI O S B, RASHEEDUZZAFAR A A, MASLEHUDDIN M, et al. Influence of sulfate ions on chloride-induced reinforcement corrosion in portland and blended cement concretes[J]. Cem Concr Aggr, 1994, 16(1): 3-11.

[9] CHEN Z, YI C, BINDIGANAVILE V. Investigating the two-dimensional diffusion-reaction behaviour of sulphate ions in cement-based systems[J]. Constr Build Mater, 2018, 187: 791-802.

[10] 左晓宝, 孙伟. 硫酸盐侵蚀下的混凝土损伤破坏全过程[J]. 硅酸盐学报, 2009, 37(7): 1063-1067.

[11] GHODS P, ISGOR O B, MCRAE G A, et al. Electrochemical investigation of chloride-induced depassivation of black steel rebar under simulated service conditions[J]. Corros Sci, 2010, 52(5): 1649-1659.

[12] LIU G, ZHANG Y, NI Z, et al. Corrosion behavior of steel submitted to chloride and sulphate ions in simulated concrete pore solution[J]. Constr Build Mater, 2016, 115: 1-5.

[13] BALUSAMY T, NISHIMURA T. In-situ monitoring of local corrosion process of scratched epoxy coated carbon steel in simulated pore solution containing varying percentage of chloride ions by localized electrochemical impedance spectroscopy[J]. Electrochim Acta, 2016, 199: 305-313.

[14] ABD EL HALEEM S M, ABD EL WANEES S, ABD EL AAL E E, et al. Environmental factors affecting the corrosion behavior of reinforcing steel II. Role of some anions in the initiation and inhibition of pitting corrosion of steel in Ca(OH)2 solutions[J]. Corros Sci, 2010, 52(2): 292-302.

[15] CHEN Z, NONG Y, CHEN Y, et al. Study on the adsorption of OH?傆b and CaOH+ on Fe (100) surface and their effect on passivation of steel bar: Experiments and DFT modelling[J]. Corros Sci, 2020, 174: 108804.

[16] 刘国建, 朱航, 张云升, 等. 混凝土孔溶液中不同侵蚀离子对钢筋的腐蚀行为[J]. 硅酸盐学报, 2022, 50(2): 413-419.

[17] LIU M, JIN Y, PAN J, et al. Co-adsorption of H2O, OH, and Cl on aluminum and intermetallic surfaces and its effects on the work function studied by DFT calculations[J]. Molecules, 2019, 24(23): 4284.

[18] HU J, WANG C, HE S, et al. A DFT-based model on the adsorption behavior of H2O, H+, Cl?傆b, and OH?傆b on clean and Cr-doped Fe(110) planes[J]. Coatings, 2018, 8(2): 51.

[19] YIN X, WANG H, SUN S, et al. Comparative study on the adsorption behaviors of O and Cl on Fe(110) surfaces with different Cr content[J]. Mater Today Commun, 2020, 24: 101122.

[20] TAYLOR C D, LI S, SAMIN A J. Oxidation versus salt-film formation: Competitive adsorption on a series of metals from first-principles[J]. Electrochim Acta, 2018, 269: 93-101.

[21] CHEVARY J A, VOSKO S H, JACKSON K A, et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation[J]. Phys Rev B, 1992, 46(11): 6671-6687.

[22] VANDERBILT D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism[J]. Phys Rev B, 1990, 41(11): 7892-7895.

农喻媚, 陈正, 陈晔, 韦增硕, 李静, 王一琛, 庞兰. 基于第一性原理的不同侵蚀性离子作用下混凝土孔溶液中钢筋腐蚀机理[J]. 硅酸盐学报, 2023, 51(5): 1191. NONG Yumei, CHEN Zheng, CHEN Ye, WEI Zengshuo, LI Jing, WANG Yichen, PANG Lan. Corrosion Mechanism of Reinforcement Subjected to Different Corrosive Ions in Concrete Pore Solution Based On First-Principles[J]. Journal of the Chinese Ceramic Society, 2023, 51(5): 1191.

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