改性水合酸水合物的原子层结构
Anna Morales-Melgares1,2, Ziga Casar2, Pinelopi Moutzouri1
1Laboratory of Magnetic Resonance, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015Lausanne, Switzerland.
Journal of the American Chemical Society
|December 12, 2022
概括
将添加到三酸盐 (C3S) 中可以提高机械强度. 通过替代位和增加链条长度来修改酸水合物 (C-S-H) 结构,从而增强水泥的性能.
科学领域:
- 材料科学 材料科学 材料科学
- 化学 化学 化学
- 固态物理 固态物理
背景情况:
- 三酸 (C3S) 的机械强度通过在水化过程中添加来增强.
- 改性酸水合物 (C-S-H) 的原子层结构,主要的水化水泥产物,还不清楚.
研究的目的:
- 阐明改性酸盐水合物 (C-S-H) 的原子层结构.
- 研究替代在C-S-H结构中的作用及其对酸盐链长度的影响.
主要方法:
- 使用29Si DNP增强的固态核磁共振 (NMR) 光谱.
- 在化学转移计算中使用密度函数理论 (DFT).
- 应用分子动力学 (MD) 建模以确定原子结构.
主要成果:
- 确定了两种新的物种:Q(1,Zn) 和Q(2p,Zn),表明在特定的部位发生替代.
- 在二元 (Q(1)) 和桥梁 (Q(2b)) 环境中观察到替代.
- 证明增加含量促进了C-S-H中较长的dreierketten平均链长度.
结论:
- 已确定改性C-S-H的原子结构.
- 的结合改变了C-S-H结构,取代了,增加了链的聚合.
- 这些结构修改提供了对改性水泥增强的机械性能的洞察.
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