China Nonferrous Metallurgy

With the development of social industrialization, titanium dioxide is widely used in industrial production due to its excellent physical and chemical properties. For example, in the fields of pigments, medical, cosmetics, semiconductors and aerospace technology. At present, the production technology of titanium dioxide mainly includes two methods: sulfuric acid method and chlorination method. Among them, the chlorination method is more in line with the double standard of economy and environmental protection. In the process of producing titanium dioxide by chlorination, the reaction between TiCl₄ and O₂ belongs to the millisecond extreme. Due to the fast reaction speed, it is difficult to study the reaction process from the experimental level. Therefore, the quantum chemical calculation method should be used to study its microscopic and high-speed reaction process, and the first-principles calculation method should be used to study the microscopic mechanism of the nucleation process of titanium dioxide, namely based on density functional theory (DFT). At present, the proportion of domestic production of titanium dioxide is low, the rapid mixing of reaction gas is difficult to control, the prevention technology of scarring has not been mastered, the production of titanium dioxide products and other countries in the world production of titanium dioxide also has a certain gap. In the future, domestic titanium dioxide production field needs to increase the research efforts, enhance the competitiveness of the international market.