酸水合物的原子层结构
Aslam Kunhi Mohamed1,2, Pinelopi Moutzouri3, Pierrick Berruyer3
1Laboratory of Construction Materials, Institut des Matériaux, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland.
Journal of the American Chemical Society
|May 15, 2020
概括
在水泥中的
科学领域:
- 材料科学
- 化学学
- 地质化学
背景情况:
- 在水泥水化产品中的作用,如酸水合物 (C-A-S-H) 尚未完全理解.
- 在C-A-S-H中的结构性质一直是水泥化学中的一个长期团.
研究的目的:
- 为了阐明在酸水合物 (C-A-S-H) 中的结构融合和协调.
- 解决围绕"第三酸盐" (TAH) 阶段的存在和分配的争论.
主要方法:
- 用第一原理计算来预测的结构行为.
- 使用先进的固态核磁共振 (NMR) 光谱,包括27Al和29Si NMR进行实验验证.
主要成果:
- 第一个原则的计算预测了在高Ca:Si和H2O比率的六倍协调的链的桥接点.
- 实验性27Al和29Si核磁共振证实了与C-A-S-H相对应的化物桥梁[AlO2]4-复合物的形成.
- 在5ppm的狭窄的27AlNMR信号被分配给这些桥梁位,而不是TAH阶段.
结论:
- 在C-A-S-H中,存在于桥复合物[AlO2OH]4-中,由离子稳定.
- "第三化" (TAH) 阶段不存在,解决了水泥科学中的一个重要辩论.
- 这项研究阐明了六倍协调在水泥水化产品中的结构作用.
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