Despite the dominance of the blast furnace ironmaking process, more attention is being paid to the new technologies with lower energy consumption and carbon dioxide emissions. A novel flash ironmaking technology using pulverized coals and iron concentrates as raw materials, which is different from flash ironmaking with the reductive gas as the reducing agent, is studied. In order to obtain the flow patterns, temperature, and gas composition distribution, as well as particle trajectories in the reaction shaft of the flash ironmaking furnace, the Euler–Lagrangian model with a custom user defined function (UDF) code is used to simulate the processes of the fluid flow, heat and mass transfer, and chemical reactions, including the combustion reaction of pulverized coals and reduction reaction of iron concentrates. The results indicate that the flow patterns, temperature, and gas composition distributions present symmetrical distribution characteristics. The central oxygen expands rapidly after entering the reaction shaft and its distribution is approximately bell-shaped. The temperature distribution in the reaction shaft is wing-shaped. The maximum temperature, 2615 K, is reached at 5 m below the roof of the reaction shaft. The O₂ is quickly consumed after entering the reaction shaft. At 6 m below the roof of the reaction shaft, the oxygen concentration becomes almost zero, with the CO concentration reaching the highest. The Fe₂O₃ and FeO in the iron concentrates are mostly reduced to Fe at 9 m below the roof of the reaction shaft, and more than 95 wt% iron particles could be obtained within 1.2–7.7 s.

Ion doping can modify the cell structure, which is one of the effective methods to improve electrochemical performance. However, there is a lack of research on F- and Cl-doped LiNi_0.8Co_0.1Mn_0.1O₂. In this paper, the effects of F and Cl doping on the electrochemical properties and cell structure of LiNi_0.83Co_0.08Mn_0.08O₂ during the process of lithium removal were studied by a first-principles calculation based on density functional theory. The results show that F doping reduces the change in cell parameters and improves the stability of cell structure. On the contrary, Cl doping reduces the stability of the cell structure. F doping increased the delithiation potential from 3.64 V to 3.76 V, and the delithiation potential was relatively stable in the process of delithiation. Cl doping decreased the delithiation potential from 3.64 V to 3.26 V, and the voltage stability became worse. F doping can effectively reduce the occurrence of Li–Ni mixed arrangement phenomena. Meanwhile, Cl doping can inhibit the formation of oxygen vacancies, and the further degradation of the materials. F doping broadens the Li⁺ diffusion channel away from the doping site and improves the diffusion rate of Li⁺ in this layer. In the vicinity of F-doped sites, the electrostatic field in the process of Li⁺ diffusion is enhanced and the diffusion of Li⁺ is reduced. Cl doping increases the diffusion barrier of Li⁺ and slows down the diffusion rate of Li⁺.