Study on the adsorption of OH- and CaOH+ on Fe (100) surface and their effect on passivation of steel bar: Experiments and DFT modelling

被引：27
作者：
Chen, Zheng [1 ]
Nong, Yumei [1 ]
Chen, Ye [2 ]
Chen, Jianhua [2 ]
Yu, Bo [1 ]
机构：
[1] Guangxi Univ, Sch Civil Engn & Architecture, Key Lab Disaster Prevent & Struct Safety, China Minist Educ, Nanning 530004, Peoples R China
[2] Guangxi Univ, Sch Resources Environm & Mat, Guangxi Key Lab Proc Nonferrous Met & Featured Ma, Nanning 530004, Peoples R China
来源：
CORROSION SCIENCE | 2020年 / 174卷
关键词：
Steel; Cyclic voltammetry; EIS; Modelling studies; Passivity; CHLORIDE-INDUCED DEPASSIVATION; CONCRETE PORE SOLUTIONS; GENERALIZED GRADIENT APPROXIMATION; RING-DISK ELECTRODE; MILD-STEEL; CARBON-STEEL; ALKALINE-SOLUTIONS; REINFORCING STEEL; IMPEDANCE SPECTROSCOPY; INTERFACIAL CHEMISTRY;
D O I：
10.1016/j.corsci.2020.108804
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The differences in the formation mechanism of passivation films of steel bar in Ca(OH)(2) and NaOH solutions were studied by experiments and DFT simulations. The electrochemical tests indicate that the stability of passive film formed in Ca(OH)(2) solution is greater than that in NaOH solution. In Ca(OH)(2) solution, not only OH- but also CaOH+ adsorb on the iron surface and cause the zeta potential shift from negative to positive. The interaction of Fe (100) surface with CaOH+ is stronger than NaOH, and the adsorption of CaOH+ decreases the spin value of Fe and thereby being unfavorable to adsorption of O-2.
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页数：9
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共 58 条
[1]   Environmental factors affecting the corrosion behaviour of reinforcing steel: I. The early stage of passive film formation in Ca(OH)2 solutions [J].
Abd El Haleem, S. M. ;
Abd El Aal, E. E. ;
Abd El Wanees, S. ;
Diab, A. .
CORROSION SCIENCE, 2010, 52 (12) :3875-3882
[2]   Studies of Inhibition effect "E & Z" Configurations of hydrazine Derivatives on Mild Steel Surface in phosphoiric acid [J].
Belghiti, M. E. ;
Mihit, M. ;
Mahsoune, A. ;
Elmelouky, A. ;
Mghaiouini, R. ;
Barhoumi, A. ;
Dafali, A. ;
Bakasse, M. ;
El Mhammedi, M. A. ;
Abdennouri, M. .
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2019, 8 (06) :6336-6353
[3]   Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface [J].
Belghiti, M. E. ;
Echihi, S. ;
Dafali, A. ;
Karzazi, Y. ;
Bakasse, M. ;
Elalaoui-Elabdallaoui, H. ;
Olasunkanmi, L. O. ;
Ebenso, E. E. ;
Tabyaoui, M. .
APPLIED SURFACE SCIENCE, 2019, 491 :707-722
[4]   Understanding the adsorption of newly Benzylidene-aniline derivatives as a corrosion inhibitor for carbon steel in hydrochloric acid solution: Experimental, DFT and molecular dynamic simulation studies [J].
Belghiti, M. E. ;
Bouazama, S. ;
Echihi, S. ;
Mahsoune, A. ;
Elmelouky, A. ;
Dafali, A. ;
Emran, K. M. ;
Hammouti, B. ;
Tabyaoui, M. .
ARABIAN JOURNAL OF CHEMISTRY, 2020, 13 (01) :1499-1519
[5]   Influence of hydrated lime on the surface properties and interaction of kaolinite particles [J].
Chemeda, Yadeta C. ;
Deneele, Dimitri ;
Christidis, George E. ;
Ouvrard, Guy .
APPLIED CLAY SCIENCE, 2015, 107 :1-13
[6]   Passivation behavior and surface chemistry of 2507 super duplex stainless steel in artificial seawater: Influence of dissolved oxygen and pH [J].
Cui, Zhongyu ;
Chen, Shuangshuai ;
Dou, Yunpeng ;
Han, Sike ;
Wang, Liwei ;
Man, Cheng ;
Wang, Xin ;
Chen, Shougang ;
Cheng, Y. Frank ;
Li, Xiaogang .
CORROSION SCIENCE, 2019, 150 :218-234
[7]   Influence of stress on passive behaviour of steel bars in concrete pore solution [J].
Feng, Xingguo ;
Tang, Yuming ;
Zuo, Yu .
CORROSION SCIENCE, 2011, 53 (04) :1304-1311
[8]   Chloride threshold value to initiate reinforcement corrosion in simulated concrete pore solutions: The influence of surface finishing and pH [J].
Figueira, Rita B. ;
Sadovski, Andrei ;
Melo, Ana P. ;
Pereira, Elsa V. .
CONSTRUCTION AND BUILDING MATERIALS, 2017, 141 :183-200
[9]   Study of passive films formed on mild steel in alkaline media by the application of anodic potentials [J].
Freire, L. ;
Novoa, X. R. ;
Montemor, M. F. ;
Carmezim, M. J. .
MATERIALS CHEMISTRY AND PHYSICS, 2009, 114 (2-3) :962-972
[10]   Nano-scale study of passive films and chloride-induced depassivation of carbon steel rebar in simulated concrete pore solutions using FIB/TEM [J].
Ghods, P. ;
Isgor, O. B. ;
Carpenter, G. J. C. ;
Li, J. ;
McRae, G. A. ;
Gu, G. P. .
CEMENT AND CONCRETE RESEARCH, 2013, 47 :55-68
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