ABSTRACT
Structure of CaO–SiO2–MgO–30.00 wt-%Al2O3 slag was investigated using molecular dynamics simulation at 1873 K, and viscosities with different basicities were measured for quantitatively studying the relationship between structure and viscosity. With the increase of basicity, the three-dimensional networks formed by Si and Al are depolymerised, which is consistent with the analysis using FT-IR and Raman spectroscopy. Additionally, FT-IR analysis shows a dampening of [Al–O–Si] trough, indicating a decrease in the linkage between [SiO4] and [AlO4]. Increasing the basicity results in that the BO decreases rapidly, while NBO increases from 32.75% up to 50.23%, which leads to the decrease of viscosity. Variations of CNAl–O and Al–O–Al indicate that Al2O3 prefers to form complicated unit, and Al2O3 within this slag should act as a network former. Calculated activation energies of samples A11–A14 are 212, 186, 168 and 161 kJ mol−1, respectively. Variation of viscosity linearly depends on Q4, and a strong linear relationship could also be found between viscosity and NBO/T. However, the variation of activation energy mainly depends on Q4(Si) comparing with Q4(Al), Q4(Si + Al) or NBO/T.