CALPHAD optimization of SiO2-B2O3-Al2O3-ZnO-CaO-Na2O-Li2O-MoO3 system and their applications to high-level radioactive waste vitrification

IF 2.7 4区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Letters Pub Date : 2025-04-12 DOI:10.1016/j.matlet.2025.138540

Toru Sugawara , Toshiaki Ohira , Kohei Owaku , Norio Kanehira , Takeshi Tsukada

引用次数: 0

Abstract

Element partitioning behavior between immiscible silicate melt and molybdate melt was determined by phase equilibrium experiments in the SiO₂-B₂O₃-Al₂O₃-ZnO-CaO-Na₂O-Li₂O-MoO₃ system at 1200 °C and 1000 °C. By combining these results and thermodynamic data of silicate melts and molybdenum compounds, CALPHAD analysis was performed to construct a database for thermodynamic calculation of phase equilibria for MoO₃-bearing alumino-borosilicate melts. The thermodynamic database will be useful for predicting the phase separation of molybdate melt and crystallization of Powellite (CaMoO₄) in vitrification process of high-level radioactive waste.

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sio2 - b2o3 - al2o3 - zno - cao - na20 - li20 - moo3体系的CALPHAD优化及其在高放废物玻璃化中的应用

在SiO2-B2O3-Al2O3-ZnO-CaO-Na2O-Li2O-MoO3体系中，在1200℃和1000℃温度下，通过相平衡实验确定了非混相硅酸盐熔体和钼酸盐熔体之间的元素分配行为。将这些结果与硅酸盐熔体和钼化合物的热力学数据相结合，进行CALPHAD分析，构建了含moo3硼硅铝熔体相平衡热力学计算数据库。该热力学数据库可用于预测高放废物玻璃化过程中钼酸盐熔体的相分离和Powellite （CaMoO4）的结晶。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Materials Letters 工程技术-材料科学：综合

CiteScore

5.60

自引率

3.30%

发文量

1948

审稿时长

50 days

期刊介绍： Materials Letters has an open access mirror journal Materials Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Materials Letters is dedicated to publishing novel, cutting edge reports of broad interest to the materials community. The journal provides a forum for materials scientists and engineers, physicists, and chemists to rapidly communicate on the most important topics in the field of materials. Contributions include, but are not limited to, a variety of topics such as: • Materials - Metals and alloys, amorphous solids, ceramics, composites, polymers, semiconductors • Applications - Structural, opto-electronic, magnetic, medical, MEMS, sensors, smart • Characterization - Analytical, microscopy, scanning probes, nanoscopic, optical, electrical, magnetic, acoustic, spectroscopic, diffraction • Novel Materials - Micro and nanostructures (nanowires, nanotubes, nanoparticles), nanocomposites, thin films, superlattices, quantum dots. • Processing - Crystal growth, thin film processing, sol-gel processing, mechanical processing, assembly, nanocrystalline processing. • Properties - Mechanical, magnetic, optical, electrical, ferroelectric, thermal, interfacial, transport, thermodynamic • Synthesis - Quenching, solid state, solidification, solution synthesis, vapor deposition, high pressure, explosive