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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Local structure around phosphorus and silicon in the CaO-SiO _2-PO _(2.5) system
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Local structure around phosphorus and silicon in the CaO-SiO _2-PO _(2.5) system

机译：CaO-SiO _2-PO _（2.5）体系中磷和硅周围的局部结构

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The local structure of phosphorus and silicon in the molten CaO-SiO _2-PO _(2.5) slag system was investigated by magic angle spinning nuclear magnetic resonance (MAS-NMR). The ~(31)P MAS-NMR spectra revealed that phosphorus was present primarily as the monophosphate complex ion PO _4 ~(3-), with a small amount of diphosphate ion also present. Their relative ratio to total phosphorus was independent of the phosphate concentration of the sample. In the case of the ~(29)Si MAS-NMR, the mean number of the non-bridging oxygen atoms associated with tetrahedrally coordinated silicon decreased as the phosphate concentration increased at a fixed CaO/SiO _2 ratio. This indicates that the nonbridging oxygen atoms around the silicon were replaced by bridging oxygen atoms around the phosphorus as the phosphate concentration in the samples increased. To elucidate the basicity dependence of the structure of slag, the relationship between the structure and optical basicity was also investigated. The relative ratio of Q ~n (Q ~n means the silicon atoms tetrahedrally bonded with "n" number of bridging oxygen atoms) strongly depends on the optical basicity. These optical basicity dependencies of the structures of phosphorus and silicon can be explained clearly by the basicity equalization concept (Duffy and Ingram, 1976) [12].
机译：通过魔角旋转核磁共振（MAS-NMR）研究了熔融CaO-SiO _2-PO _（2.5）炉渣体系中磷和硅的局部结构。 〜（31）P MAS-NMR光谱表明，磷主要以单磷酸络合离子PO_4〜（3-）的形式存在，同时也存在少量的二磷酸根离子。它们与总磷的相对比例与样品的磷酸盐浓度无关。在〜（29）Si MAS-NMR的情况下，随着磷酸盐浓度以固定的CaO / SiO _2比增加，与四面体配位的硅缔合的非桥接氧原子的平均数目减少。这表明随着样品中磷酸盐浓度的增加，硅周围的非桥接氧原子被磷周围的桥接氧原子取代。为了阐明炉渣结构的碱度依赖性，还研究了炉渣结构与光学碱度之间的关系。 Q〜n的相对比率（Q〜n表示与“ n”个桥连的氧原子四面键合的硅原子）在很大程度上取决于光学碱性。磷和硅结构的这些光学碱度依赖性可以通过碱度均等概念清楚地解释（Duffy和Ingram，1976）[12]。

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