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Corrosion Mechanism of Reinforcement Subjected to Different Corrosive Ions in Concrete Pore Solution Based On First-Principles
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Yumei NONG1, Zheng CHEN1, 2, Ye CHEN3, Zengshuo WEI1, Jing LI1, 2, Yichen WANG1, Lan PANG1
Journal of the Chinese Ceramic Society | 2023, 51(5) : 1191 - 1201
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Journal of the Chinese Ceramic Society | 2023, 51(5): 1191-1201
• Research Articles •
Corrosion Mechanism of Reinforcement Subjected to Different Corrosive Ions in Concrete Pore Solution Based On First-Principles
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Yumei NONG1, Zheng CHEN1, 2, Ye CHEN3, Zengshuo WEI1, Jing LI1, 2, Yichen WANG1, Lan PANG1
Affiliations
  • 1.Key Laboratory of Disaster Prevention and Structural Safety of Ministry of Education, Guangxi University, Nanning 530004, China
  • 2.Guangxi Key Laboratory of Disaster Prevention and Structural Safety, Guangxi University, Nanning 530004, China
  • 3.School of Resources, Environment and Materials, Guangxi University, Nanning 530004, China

    • NONG Yumei (1994-), female, Doctoral candidate. E-mail:

About Author:

NONG Yumei (1994-), female, Doctoral candidate. E-mail:

Published: 2023-05-20 doi: 10.14062/j.issn.0454-5648.20220794
Outline
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To reveal the difference of corrosion mechanism of steel bars in concrete under Cl- and SO42- 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- and SO42- in concrete pore solutions was investigated, and the competitive adsorptions of corrosive ions (Cl-, SO42-) and passive ions (CaOH+, OH-) 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- both are lower than those in concrete pore solution with Cl-, indicating that the steel reinforcement corrosion occurs more easily in concrete pore solution with SO42-. The inhibition effect of SO42- on the reaction of OH- and iron surface is slightly stronger than that of Cl-. Moreover, SO42- 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- on the reaction of CaOH+ and iron is stronger than that of Cl-. The results reveal the corrosion mechanism of steel reinforcement under the attack of Cl- and SO42- in concrete.

chloride ion  /  sulphate ion  /  concrete  /  steel reinforcement  /  corrosion mechanism  /  first-principle
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. 硅酸盐学报, 2023 , 51 (5) : 1191 -1201 . DOI: 10.14062/j.issn.0454-5648.20220794
Yumei NONG, Zheng CHEN, Ye CHEN, Zengshuo WEI, Jing LI, Yichen WANG, Lan PANG. 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 -1201 . DOI: 10.14062/j.issn.0454-5648.20220794
Appendix
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Year 2023 volume 51 Issue 5
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Article Info
doi: 10.14062/j.issn.0454-5648.20220794
  • Receive Date：2022-09-26
  • Online Date：2026-10-20
  • Published：2023-05-20
Article Data
Affiliations
History
  • Received：2022-09-26
  • Revised：2022-10-14
Funding
Affiliations
    1.Key Laboratory of Disaster Prevention and Structural Safety of Ministry of Education, Guangxi University, Nanning 530004, China
    2.Guangxi Key Laboratory of Disaster Prevention and Structural Safety, Guangxi University, Nanning 530004, China
    3.School of Resources, Environment and Materials, Guangxi University, Nanning 530004, China

Corresponding:

CHEN Zheng (1982-), male, Ph.D., Professor. E-mail:
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
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Genus		 种数
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鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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