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利用光学碱度的概念,对CaO--Al2O3--SiO2体系的电导率进行了模拟,模型可以体现Al2O3的两性行为对熔体电导率的影响,以及在一定成分范围内Al2O3替代SiO2使得电导率下降的现象.通过对比分析不同离子的扩散系数,得出CaO--Al2O3--SiO2熔体中起电荷传导作用的离子主要为Ca2+;并根据模型计算的电导率以及Nernst-Einstein方程计算了Ca2+的自扩散系数.最后讨论了计算的扩散系数与通过示踪原子法测量的扩散系数之间存在差别的原因,并对“随温度的增加,偏差减少”的现象进行了理论解释.
The concept of optical basicity was used to simulate the conductivity of CaO - Al2O3 - SiO2 system. The model can reflect the influence of the amphoteric behavior of Al2 O3 on the melt conductivity and the Al2O3 substitution for SiO2 in a certain range of composition. By comparing the diffusion coefficients of different ions, we can get that Ca2 + ion is mainly Ca2 + in the CaO - Al2O3 - SiO2 melt and Ca2 + ion is calculated according to the calculated conductivity and Nernst - Einstein equation. The reason for the difference between the calculated diffusion coefficient and the diffusion coefficient measured by the tracer atom method is discussed and the phenomenon of “decreasing with temperature increase” is theoretically explained.