Pereira Augusto Lachini, Morales Pereira Julio Aníbal, Bielefeldt Wagner Viana, Faria Vilela Antônio Cezar
Department of Metallurgy (DEMET), Federal University of Rio Grande do Sul (UFRGS), Porto Alegre, Brazil.
Sci Rep. 2023 Sep 28;13(1):16274. doi: 10.1038/s41598-023-41404-x.
This work showed an application of computational tools to understand systematically the behavior of viscosity on CSAM systems relevant to industrial uses. Consequently in this study, the viscosity experimental data obtained from the literature were compared with the thermodynamic calculated results via the software FactSage v.7.3 for melts in CaO-SiO-AlO-MgO slag system with the range of compositions slags cover 0-100 wt% CaO, 0-100 wt% SiO, 0-100 wt% AlO and 0-15 wt% MgO at temperature ranges of 1500-1700 °C. Using open-source software in Python, the results of viscosity, liquid, and solid fraction of the slag, as a function of composition and temperature, are represented by multiple color maps and by iso-viscosity contours. The results of the viscosity values indicated that the effect of all the oxides in the CSAM slag system follows the well-known behavior trend observed in the literature. Viscosities of the slag were found to increase with increasing SiO contents and decrease with increasing basicities (high CaO). The increase in AlO content increases the viscosity values. An increase of 0-15% MgO depolymerized the slag melt and decreases the viscosity. However, above 5% MgO content occur a decrease in the liquid zone (single phase) and a liquid fraction (two-phase region) of the slag. For a constant MgO concentration, the increase in temperature generates an expansion of low-viscosity zones associated with an increase in the liquid phase of the slag. From the comparison between the calculated and experimental viscosities data keeps up within 30% average relative deviation (Δ), the predictions are considered acceptable for viscosity in the CSAM slag system at high temperatures.
这项工作展示了如何应用计算工具来系统地理解与工业用途相关的CSAM系统中粘度的行为。因此，在本研究中，将从文献中获得的粘度实验数据与通过软件FactSage v.7.3对CaO-SiO-AlO-MgO熔渣系统中熔体进行热力学计算的结果进行了比较，该熔渣系统的成分范围为：CaO含量0 - 100 wt%、SiO含量0 - 100 wt%、AlO含量0 - 100 wt%以及MgO含量0 - 15 wt%，温度范围为1500 - 1700°C。使用Python中的开源软件，以多种颜色图和等粘度等高线表示了熔渣的粘度、液相和固相分数随成分和温度的变化结果。粘度值的结果表明，CSAM熔渣系统中所有氧化物的影响遵循文献中观察到的众所周知的行为趋势。发现熔渣的粘度随SiO含量的增加而增加，随碱度（高CaO）的增加而降低。AlO含量的增加会提高粘度值。MgO含量增加0 - 15%会使熔渣熔体解聚并降低粘度。然而，当MgO含量超过5%时，熔渣的液相区（单相）和液相分数（两相区）会减少。对于恒定的MgO浓度，温度升高会导致低粘度区扩展，同时熔渣的液相增加。通过计算粘度与实验粘度数据之间的比较，平均相对偏差（Δ）保持在30%以内，因此可以认为这些预测对于CSAM熔渣系统在高温下的粘度是可以接受的。
