A database of over 1100 silicate glass compositions and densities was compiled and used to evaluate the efficacy of an algorithm for estimating the density of silicate glass compositions. We sought to develop a parsimonious algorithm based on the additivity of partial molar volumes of individual oxide components weighted by their mole fraction in a glass composition. Bound molar volumes were used for oxides in which the density of the oxide bound in a glass matrix was previously determined. The bound molar volumes were known for oxides covering 97.5 mole percent of the database compositional space. The measured glass densities were plotted against the estimated glass densities and a linear regression yielded an R²_adj. = 0.95 and a slope and intercept of approximately one and zero, respectively. This regression suggests that glass densities estimated by the algorithm, within analysis uncertainty, are equal to the measured densities of the glasses. In addition to the development of the density estimation, we corroborated many of the referenced bound molar volume data used in the parameterization of the estimation algorithm via linear regression of the individual partial molar volumes vs the inverse measured densities (specific volumes) of the glasses in the database.

中文翻译：

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高水平核废玻璃密度的估算方法

汇编了超过1100种硅酸盐玻璃成分和密度的数据库，并用于评估估算硅酸盐玻璃成分密度的算法的有效性。我们试图根据在玻璃组合物中各个氧化物组分的摩尔分数加权的简约性算法来开发一种简约算法，这些氧化物组分的摩尔分数由它们的摩尔分数加权。结合的摩尔体积用于氧化物，其中预先确定结合在玻璃基质中的氧化物的密度。对于覆盖数据库组成空间的97.5摩尔％的氧化物，结合摩尔量是已知的。将测得的玻璃密度相对于估计的玻璃密度作图，并且线性回归得到R ^2调整_。 = 0.95，斜率和截距分别约为1和0。这种回归表明，在分析不确定性范围内，算法估算的玻璃密度等于玻璃的测量密度。除了密度估算的发展外，我们还通过对玻璃中部分摩尔体积相对于玻璃的反向测量密度（比体积）的线性回归进行线性回归，证实了估算算法参数化中使用的许多参考束缚摩尔体积数据。数据库。