Simulation Research on the Preparation of SiHCl3 by Thermal Hydrogenation of SiCl4
1. Faculty of Physics and Electronic Engineering, Leshan Normal University, Leshan 614000, China;
2. Faculty of New Energy Engineering, Leshan Vocational and Technical College, Leshan 614000, China
Abstract：To investigate the thermal hydrogenation process of SiCl4(STC)-H2 system, the complete perturbation reactor (PSR) model and Chemkin simulation software coupled with the relevant thermodynamics, and reaction mechanism data were used to simulate the reactions conditions at different reaction temperature, reaction pressure and the reaction feed ratios. The residence time and the rapid cooling conditions of the reaction vent gas were further simulated. The influence of the above factors on the primary conversion rate of SiCl4 was revealed by statistical comparison. The results showed that the reaction temperature had the highest priority. Only in the proper reaction temperature range can SiHCl3 (TCS) be produced and the desired molar fraction maintained. The primary conversion rate of SiCl4 increased with the increase of reaction pressure and feed ratio. However, only in the optimal range, there was reference value, and the growth rate slowed down after the optimal value. The primary conversion rate of SiCl4increased significantly in the early stage of optimal residence time, and there was no change in the later stage. The reaction vent gas needed to complete the quenching process at a lower temperature within a shorter time so that the primary conversion rate of SiCl4 would not decrease significantly. It was concluded that the optimal operating conditions for the preparation of SiHCl3 by thermal hydrogenation of SiCl4 were as follows: reaction temperature 1 200 ℃, reaction pressure 0.6 MPa, and the reaction feed molar ratio of H2 to STC 4. Under these conditions, the primary conversion rate of SiCl4 was 20.91%, the optimal residence time was 0.01 s, and the optimal quenching condition of reaction vent gas was cooling to 750 ℃ within 0.001 s.
Luo Xufeng 1,Chen Chang 1,Jia Xi 2 et al. Simulation Research on the Preparation of SiHCl3 by Thermal Hydrogenation of SiCl4[J]. 化学反应工程与工艺, 2018, 34(2): 170-177.
