Thermodynamic analysis of manufacturing polysilicon from Si HCl_3,Si Cl_4 and H_2  

基于SiHCl_3,SiCl_4和H_2生产多晶硅的热力学分析（英文）

作　　者：李佩龙 王铁峰 

机构地区：[1]Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University

出　　处：《Chinese Journal of Chemical Engineering》2015年第4期681-688,共8页中国化学工程学报（英文版）

基　　金：Supported by the Beijing New Star Project on Science & Technology of China(2009B35);the Program for New Century Excellent Talents in University(NCET-12-0297)

摘　　要：Production of polysilicon by chemical vapor deposition of SiHCI3 with a fluidized bed reactor is a competitive technology. As equilibrium conversion can be approached in a fluidized bed reactor, a reliable thermodynamic analysis is very important. However, inconsistent thermodynamic analysis results have been reported in the lit- erature. The present work studied the effects of thermodynamic data and species selection, and recommended that JANAF was the best Cp data source and the minimum set of species included the following eight species： H2, HCI, SiC[4, SiCl2, SiHCI3, SiH2CI2, SiH3C] and Si. Then, the influence of operating conditions on the equilibrium was studied. For the SiHC｜3-H2 system, both the yield of silicon and selectivity to silicon reached their maximum at （up to 1100 ℃）, and low pressure and high H2 feed ratio were of benefit for silicon production. For the SiHCI3- SiCI4-H2 system, silicon could be produced only at 900-1400 ℃, and reducing pressure and increasing H2 feed ratio enhanced the yield of silicon. Meanwhile, the operation map for zero net by-production of SiCI4 by directly recycling the produced SiCl4 was determined.Production of polysilicon by chemical vapor deposition of Si HCl3with a fluidized bed reactor is a competitive technology.As equilibrium conversion can be approached in a fluidized bed reactor,a reliable thermodynamic analysis is very important.However,inconsistent thermodynamic analysis results have been reported in the literature.The present work studied the effects of thermodynamic data and species selection,and recommended that JANAF was the best Cpdata source and the minimum set of species included the following eight species:H2,HCl,Si Cl4,Si Cl2,Si HCl3,Si H2Cl2,Si H3Cl and Si.Then,the influence of operating conditions on the equilibrium was studied.For the Si HCl3–H2system,both the yield of silicon and selectivity to silicon reached their maximum at(up to 1100°C),and low pressure and high H2feed ratio were of benefit for silicon production.For the Si HCl3–Si Cl4–H2system,silicon could be produced only at 900–1400°C,and reducing pressure and increasing H2feed ratio enhanced the yield of silicon.Meanwhile,the operation map for zero net by-production of Si Cl4by directly recycling the produced Si Cl4was determined.

关 键 词：ThermodynamicsPolysiliconFluidized bedTrichlorosilaneSilicon tetrachtoride 

分 类 号：TQ127.2[化学工程—无机化工]