Effect of TiO2 content on structure of BaO-CaO-Al2O3-TiO2-Li2O slags by molecular dynamics simulation

During the continuous casting of high-titanium steel, traditional CaO-SiO2-based mold slag undergoes severe slag-metal reactions. Therefore, BaO-CaO-Al2O3-TiO2-Li2O slag system, which has low reactivity, has become a potential new slag system for the continuous casting of high-titanium steel. In this study, a melt of BaO-CaO-Al2O3-TiO2-Li2O is used as the research object. The effects of component changes on the microstructure of the quinary slag system and the evolution of amphoteric oxides are examined by molecular dynamics (MD). The results reveal that the amphoteric behavior of TiO2 is affected by Al2O3 when the content of TiO2 is less than 3 wt %. Whereas the amphoteric behavior of Al2O3 is affected by TiO2 when TiO2 content is more than 3 wt%. NBO/T increases continuously in the low TiO2 system ranging from 1 to 6 wt%. However, in the high TiO2 system ranging from 7 to 12 wt%, NBO/T first increases and then decreases.