基于MP-PIC方法的冶金硅氢氯化流化床反应器模拟

冶金硅氢氯化流化床是目前多晶硅生产工艺中实现四氯化硅（silicon tetrachloride， STC）循环利用的关键反应器。基于MP-PIC方法建立了冶金硅氢氯化流化床反应器模型。模型中反应源项采用总包反应动力学进行计算。在网格以及计算颗粒包含的真实颗粒数量无关性检验的基础上，对反应器内三氯氢硅（trichlorosilane， TCS）初始浓度进行了无关性检验。模型验证结果表明，模拟结果与实验值符合良好。反应器特征分析结果表明：TCS产率受化学平衡与气固两相流动因素共同控制；反应器操作压力对TCS产率的影响较小；提高进口H₂/STC摩尔比，可以提高TCS产率但会降低H₂的转化率。

Fluidized bed reactor simulation for hydrochlorination of metallurgical silicon based on MP-PIC method

Metallurgical silicon hydrochlorination fluidized bed is the key reactor to realize the recycling of silicon tetrachloride (STC) in the current polysilicon production process. Based on the MP-PIC method, a metallurgical hydrochlorination fluidized bed reactor model was established. In the model, overall kinetics was used to calculate the reaction source term. On the base of independence test of grid and the number of particles per parcel, the independence test of the initial concentration of trichlorosilane (TCS) was carried out. The model validation results showed that the simulation results were in good agreement with the experimental results. The reactor analysis showed that the yield of TCS is controlled by chemical equilibrium and gas-solid two-phase flow. From the operation condition analysis, the operation pressure of the reactor has little effect on the yield of TCS. Increasing the molar ratio of imported H₂/STC can effectively improve the yield of TCS, but reduce the conversion of H₂.