Protective Effects of Small Molecular Inhibitors on Steel Corrosion: The Generation of a Multi-Electric Layer on Passivation Films
Abstract
:1. Introduction
2. Models and Simulation Details
2.1. Modeling Details
2.2. Molecular Dynamics Simulation
3. Results and Discussion
3.1. ATL Inhibiting Effect
3.2. Density Distribution of Each Part of the System
3.3. Micro-Data Analysis
4. Conclusions
- ATL molecules are adsorbed on the iron surface by the Van der Waals force between alkanes and surfaces. It is partially detached under the attack of chloride ions, and the surface coverage of iron decreases from 74% to 64%. But, it still has an overall protective effect on steel. The density distribution of chloride ions shows that there is no chloride distribution below 30 Å.
- ATL molecules expelling chloride ions is an active capture process. (i) Monitor: the adsorption part discovers chloride ions. (ii) Desorption: actively desorbing from the iron surface. (iii) Movement: moving toward chloride ions to approach it. (iv) Control: capturing chloride ions and preventing them from approaching the steel surface.
- ATL forms multiple electron layers on the surface of iron in the [010] direction. The outermost layer is negatively charged. It blocks chloride ions passing through the negative electron barrier by the Coulomb force. This causes the free energy curve of the chloride ion barrier to weaken. And it continues to shield the sodium ion in the adjacent positive layer. Therefore, the sodium ion is closer to the iron surface than the chloride ion.
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Wu, S.; Liu, C.; Xu, H.; Guo, F.; Chen, F.; Li, M.; Wang, P. Protective Effects of Small Molecular Inhibitors on Steel Corrosion: The Generation of a Multi-Electric Layer on Passivation Films. Buildings 2024, 14, 2558. https://doi.org/10.3390/buildings14082558
Wu S, Liu C, Xu H, Guo F, Chen F, Li M, Wang P. Protective Effects of Small Molecular Inhibitors on Steel Corrosion: The Generation of a Multi-Electric Layer on Passivation Films. Buildings. 2024; 14(8):2558. https://doi.org/10.3390/buildings14082558
Chicago/Turabian StyleWu, Shenrong, Chengbo Liu, Hongjian Xu, Feng Guo, Feixiang Chen, Mengmeng Li, and Pan Wang. 2024. "Protective Effects of Small Molecular Inhibitors on Steel Corrosion: The Generation of a Multi-Electric Layer on Passivation Films" Buildings 14, no. 8: 2558. https://doi.org/10.3390/buildings14082558