Abstract The glasses with composition xTiO2-(100-x)[40Na2O-60SiO2] (0 ≤ x ≤ 30 mol%) were studied using Raman spectroscopy and thermodynamic modeling. According to the thermodynamic modeling results, the chemical structure of studied glasses is defined by seven chemical groups (TiO2, SiO2, Na2O⋅2SiO2, Na2O⋅SiO2, Na2O⋅3TiO2, Na2O⋅TiO2, Na2O⋅TiO2⋅SiO2), whereas the short-range order (SRO) structures are TiO5, TiO6, Q4, Q3 and Q2 species. Existence of all these SRO structures was confirmed by the analysis of measured Raman spectra. The equilibrium molar amounts of SRO groups calculated in the framework of the Shakhmatkin-Vedishcheva thermodynamic model and those derived from spectroscopic data exhibit a positive correlation.

中文翻译：

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Na2O-TiO2-SiO2玻璃的热力学建模和拉曼光谱研究

摘要 使用拉曼光谱和热力学模型研究了组成为xTiO2-(100-x)[40Na2O-60SiO2] (0 ≤ x ≤ 30 mol%) 的玻璃。根据热力学建模结果，所研究玻璃的化学结构由七个化学基团（TiO2、SiO2、Na2O⋅2SiO2、Na2O⋅SiO2、Na2O⋅3TiO2、Na2O⋅TiO2、Na2O⋅TiO2⋅SiO2）定义，而短的-范围有序 (SRO) 结构是 TiO5、TiO6、Q4、Q3 和 Q2 物种。所有这些 SRO 结构的存在都通过测量的拉曼光谱分析得到证实。在 Shakhmatkin-Vedishcheva 热力学模型框架中计算的 SRO 基团的平衡摩尔量与那些从光谱数据得出的平衡摩尔量呈正相关。