Thermodynamic analysis of manufacturing polysilicon from SiHCl3, SiCl4 and H2

doi:10.1016/j.cjche.2014.03.005

Abstract

Abstract: Production of polysilicon by chemical vapor deposition of SiHCl₃ 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 literature. 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, HCl, SiCl₄, SiCl₂, SiHCl₃, SiH₂Cl₂, SiH₃Cl and Si. Then, the influence of operating conditions on the equilibrium was studied. For the SiHCl₃-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 ratiowere of benefit for silicon production. For the SiHCl₃- SiCl₄-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 SiCl₄ by directly recycling the produced SiCl₄ was determined.

Key words: Thermodynamics, Polysilicon, Fluidized bed, Trichlorosilane, Silicon tetrachloride

摘要： Production of polysilicon by chemical vapor deposition of SiHCl₃ 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 literature. 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, HCl, SiCl₄, SiCl₂, SiHCl₃, SiH₂Cl₂, SiH₃Cl and Si. Then, the influence of operating conditions on the equilibrium was studied. For the SiHCl₃-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 ratiowere of benefit for silicon production. For the SiHCl₃- SiCl₄-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 SiCl₄ by directly recycling the produced SiCl₄ was determined.

关键词: Thermodynamics, Polysilicon, Fluidized bed, Trichlorosilane, Silicon tetrachloride

Peilong Li, Tiefeng Wang. Thermodynamic analysis of manufacturing polysilicon from SiHCl₃, SiCl₄ and H₂[J]. Chin.J.Chem.Eng., 2015, 23(4): 681-688.

Peilong Li, Tiefeng Wang. Thermodynamic analysis of manufacturing polysilicon from SiHCl₃, SiCl₄ and H₂[J]. Chinese Journal of Chemical Engineering, 2015, 23(4): 681-688.

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Thermodynamic analysis of manufacturing polysilicon from SiHCl₃, SiCl₄ and H₂

Thermodynamic analysis of manufacturing polysilicon from SiHCl₃, SiCl₄ and H₂

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