高放废液硼硅酸盐玻璃固化体热学性质和化学稳定性的统计结构模拟  

Statistical Structure Modeling for Thermal Properties and Chemical Stability of Borosilicate Glass Wasteforms with High Level Radioactive Waste

作　　者：陈泽坤 张丽艳[1] CHEN Zekun;ZHANG Liyan(Key Laboratory of Materials for High Power Laser,Shanghai Institute of Optics and Fine Mechanics,Chinese Academy of Sciences,Shanghai 201800,China;Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China)

机构地区：[1]中国科学院上海光学精密机械研究所,高功率激光单元技术实验室,上海201800 [2]中国科学院大学,材料科学与光电工程中心,北京100049

出　　处：《硅酸盐学报》2022年第5期1301-1309,共9页Journal of The Chinese Ceramic Society

基　　金：国防科工局项目(FKY1683ZHG001SSJS-B01-001)。

摘　　要：统计结构模拟法具有高效、准确等优点,可以帮助建立配方设计模型以适应不同类型高放废液的固化需求。以模拟高放废液硼硅酸盐玻璃固化体为例,以玻璃转变温度Tg、热膨胀系数α及Li、Na、B的元素浸出率为目标性质,研究了统计结构模拟法在核废料玻璃固化配方开发领域的应用。结果表明:利用样品的结构数据,可对硼硅酸盐玻璃固化体的Tg,α及化学稳定性进行较精确的模拟。模型验证结果显示,验证样品的预测值和实测值吻合较好,模拟意愿达0.94。统计结构模拟法可以辅助建立高放废液玻璃固化体配方数据库。Statistical structure modeling can help to establish the glass formulation design models to meet the vitrification requirements of different types of high-level waste liquids due to its advantages of high efficiency and accuracy.Taking the glass transition temperature Tg,thermal expansion coefficientαand element leaching rate of Li,Na,B as target properties,we utilized a statistical structure simulation method for the development of nuclear waste glass curing formula.The results show that Tg,αand chemical stability of the glasses can be well simulated with the statistical structural data.It is also indicated that the data predicted by the model are in a reasonable agreement with the measured results at a simulation desirability 0.94.Statistical structure modeling can assist to establish the formula database of the high-level liquid waste vitrification.

关 键 词：高放废液 玻璃固化 硼硅酸盐玻璃 热性能 化学稳定性 统计结构模拟 

分 类 号：TQ171.1[化学工程—玻璃工业]