Effect of B2O3 on the Melt Structure and Viscosity of CaO–SiO2 System
Effect of B2O3 on the Melt Structure and Viscosity of CaO–SiO2 System
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DOI：
10.1002/srin.202100520
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发表时间：
2021-10
影响因子：
2.2
通讯作者：
Xiaobo Zhang;Chengjun Liu;M. Jiang
中科院分区：
文献类型：
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作者：
Xiaobo Zhang;Chengjun Liu;M. Jiang
分子动力学 (MD) 模拟已用于研究不同碱度的 CaO-SiO2 渣和 CaO-SiO2-B2O3 渣的结构特性。结果表明，在较高碱度的CaO-SiO2体系（碱度>1.12）中添加B2O3会增加体系的聚合度（DOP）和网络结构的复杂性，理论上导致炉渣粘度增加。在CaO-SiO2-B2O3三元体系中，Si-BO（桥氧）-B结构比B-BO-B更占主导地位，表明新引入的B-O网络结构将与初始Si-O网络结构随机混合，而不是形成富集区。此外，根据粘度测量，随着 B2O3 的添加，CaO-SiO2 的粘度在较高碱度体系中增加，但在较低碱度体系中下降。添加B2O3对CaO-SiO2渣粘度的不同影响与熔体结构的变化趋势一致。
Molecular dynamics (MD) simulations have been used to study the structure properties of CaO–SiO2 slags and CaO–SiO2–B2O3 slags with different basicity. The results show that the addition of B2O3 to the higher basicity system of CaO–SiO2 (basicity >1.12) increases the degree of polymerization (DOP) of the system and the complexity of network structures, theoretically leading an increase in the viscosity of the slag. In the CaO–SiO2–B2O3 ternary system, the structure of Si–BO (bridging oxygen)–B is more dominant than B–BO–B, indicating that the newly introduced B–O network structure will be randomly mixed with the initial Si–O network structure instead of forming enrichment zones. Moreover, with the addition of B2O3, the viscosities of CaO–SiO2 increase in higher basicity systems, but decrease in the lower basicity systems based on the viscosity measurement. The different effect of adding B2O3 on the viscosity of the CaO–SiO2 slag is consistent with the changing trend of the melt structure.