分子軌道法を用いた シリカフュームを含む耐火物の反応の研究

抄録

The refractory is used to protect the furnace and to improve the efficiency of a steel making process. Most of the refractories used in the Iron making process are the castable refractories that are primarily composed of Al₂O₃, MgO, or Cr₂O₃, etc. particles. By addition of Fumed Silica, which is amorphous silica micro-particle, to the castable, densification of the refractory is found at intermediate temperature range (e.g., 500 ˚C). However, the chemical principle of this densification is not known well yet. In this study, we aim to reveal qualitatively the chemical behavior of Fumed Silica in a castable refractory by using semi-empirical Molecular Orbital calculation. The result showed that Fumed Silica and Alumina does not react at room temperature, i.e., Al-O-Si bond is not formed. We also investigated the transition state of the Alumina-Silica reaction and its activation energy, and calculated the temperature corresponding to that energy.