期刊
MATERIALS
卷 16, 期 17, 页码 -出版社
MDPI
DOI: 10.3390/ma16176029
关键词
chloride ion; sulphate ion; molecular dynamics; scanning electron microscope; physical adsorption; aluminium substitution; transition interface
When aluminium-rich phase minerals are added to Portland cement, a substitution reaction occurs, forming a hydrated silica-calcium aluminate (C-A-S-H), which changes the cement material's molecular structure. This study used simulation to investigate how the Al substitution reaction affects the adsorption of chloride and sulphate ions. The results showed that the C-A-S-H structure generated by the Al substitution reaction increased the physical adsorption capacity of the chloride and sulphate ions.
When aluminium-rich phase minerals are added to Portland cement, Al atoms will enter the C-S-H and Al, then a substitution reaction will occur, forming a hydrated silica-calcium aluminate (C-A-S-H), which changes the molecular structure of the cement material. Due to limitations in experimental methods, the research on the bonding effect between corroded ions and Al-substituted structures is still unclear. Here, the mechanism of an Al substitution reaction affecting the adsorption of chloride and sulphate ions was studied using simulation. The C-A-S-H model of aluminium random substitution was built, evaluating the binding effects among the C-A-S-H, and sulphate and chloride ions. The results demonstrated that the C-A-S-H structure generated by the Al substitution reaction increased the physical adsorption capacity of the chloride and sulphate ions. The adsorption capacity of the sulphate ions was 13.26% higher than that before the Al substitution, and the adsorption capacity of chloride ions was 21.32% higher than that before the Al substitution. The addition of high aluminium phase minerals caused the interfacial flocculants C-A-S-H and C-S-H to connect and intertwine in the the interface transition zone (ITZ) structure. The addition of high-alumina phase minerals improves the microstructure of concrete hydration products, improving the physical and mechanical properties and durability of concrete. After the addition of 20% lithium slag, the sulphate ion erosion content and the chloride ion erosion content of the concrete decreased by 13.65% and 15.72%, respectively. This paper provides a deeper understanding of the effect of high-alumina phase admixtures on concrete at the micro-scale.
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