Explicating Electrical Conductivity and Melt Structure of the SiO2–MnO–TiO2 Welding Fluxes with Various MnO/TiO2 Mass Ratios
摘要
The electrical conductivity of the SiO2–MnO–TiO2 welding fluxes with various MnO/TiO2 mass ratios was measured by the four-electrode alternating current (AC) impedance method. Molecular dynamics (MD) simulations were employed to detect the effect of MnO/TiO2 mass ratio on the structure of SiO2–MnO–TiO2 welding fluxes. The experimental results showed that within the temperature range of 1673 K to 1793 K, the electrical conductivity of the welding fluxes increased while their apparent activation energy reduced with the increased MnO/TiO2 mass ratio from 1.03 to 3.63. Molecular dynamics simulations indicated that the coordination numbers of Si–Si, Si–Ti and Ti–Ti, and the proportion of complex structural units (bridging oxygen, Q3(Si) and Q4(Si)) reduced with the increased MnO/TiO2 mass ratio. Additionally, it could be concluded that the electrical conductivity of the SiO2–MnO–TiO2 welding fluxes positively correlated with the decrease in the degree of polymerization of the fluxes caused by the increased MnO/TiO2 mass ratio.