Mineral Resource Research Division, Korea Institute of Geoscience and Mineral Resources (KIGAM), Daejeon, 34132, Republic of Korea.
Sci Rep. 2019 Nov 22;9(1):17338. doi: 10.1038/s41598-019-53961-1.
Along with the increasing demand for the TiO pigment, the ilmenite smelting process has also become significant because it can utilize both rock- and sand-type ilmenite. However, due to the high liquidus temperature of the TiO slag system, the smelting process is highly energy consuming. In the present study, the viscosity of molten ilmenite slag was estimated using molecular dynamic simulations at a high temperature to achieve an appropriate and efficient slag design. To verify the validity of the simulation technique, experimental measurements were performed in parallel and their results were compared. The effects of FeO and NaO addition on viscosity of TiO slag were also investigated. The addition of NaO as a flux enhanced the ilmenite smelting process by not only lowering the liquidus temperature but also slowing the drastic viscosity increase. Statistical information obtained from the molecular dynamic simulations revealed a three-dimensional TiO octahedral network structure. The relationship between viscosity and structural change with varying FeO and NaO concentrations was explored considering the coordination number of Ti and various bonding types.
随着对 TiO 颜料需求的增加，钛铁矿冶炼工艺也变得非常重要，因为它可以同时利用岩矿型和砂矿型钛铁矿。然而，由于 TiO 渣体系的液相线温度很高，因此该冶炼工艺的能耗很高。在本研究中，采用分子动力学模拟方法在高温下估算了熔融钛铁矿渣的粘度，以实现合适且高效的渣设计。为了验证模拟技术的有效性，还进行了实验测量并进行了比较。此外，还研究了 FeO 和 NaO 添加对 TiO 渣粘度的影响。作为助熔剂添加的 NaO 不仅降低了液相线温度，而且还减缓了粘度的急剧增加，从而促进了钛铁矿的熔炼过程。从分子动力学模拟中获得的统计信息揭示了 TiO 八面体的三维网络结构。考虑 Ti 的配位数和各种键型，探讨了在不同 FeO 和 NaO 浓度下粘度与结构变化的关系。
