The Relationship Between Composition and Structure: The Influence of Different Methods of Adding CaF2 on the Melt Structure of CaO-SiO2 Slags by Molecular Dynamics Simulations

CaF2 has a significant effect on the viscosity of CaO-SiO2 slags, which is closely related to change melts structure. In this study, molecular dynamics simulation been used study influence different adding methods short-range and medium-range melt structure CaO-SiO2-CaF2 at 1823 K. The results show that directly slags ((50-x/2)CaO-(50-x/2)SiO2-xCaF2, x = 5 ~ 20 mol%), distribution oxygen types Qn in hardly change, indicating degree polymerization (DOP) silicate network not affected by addition method. may reduce diluting However, using equimolar replaces CaO ((50-x)CaO-50SiO2-xCaF2, type changes from non-bridging bridging oxygen, more species with high DOP appear, overall increases. If slag mainly controlled structure, should be increased