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다중규모 모사 Multiscale simulation for process development [Example 1: FBR for polysilicon]

다중규모 모사 Multiscale simulation for process development [Example 1: FBR for polysilicon]. Major: Interdisciplinary program of the integrated biotechnology Graduate school of bio- & information technology Youngil Lim (N110), Lab. FACS phone: +82 31 670 5207 (direct)

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다중규모 모사 Multiscale simulation for process development [Example 1: FBR for polysilicon]

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  1. 다중규모 모사Multiscale simulation for process development[Example 1: FBR for polysilicon] Major: Interdisciplinary program of the integrated biotechnology Graduate school of bio- & information technology Youngil Lim (N110), Lab. FACS phone: +82 31 670 5207 (direct) Fax: +82 31 670 5445, mobile phone: +82 10 7665 5207 Email: limyi@hknu.ac.kr, homepage:http://facs.maru.net 3 weeks topic

  2. Example 1. Polysilicon production by FBR: characteristics + multi-component: SiH4, H2, Si(g), Si(s) + multi-phase: gas and solid + multi-physics: hydrodynamics (velocity, temperature, and concentration), reaction (decomposition), crystallization (nucleation, agglomeration, breakage, growth), gravity, Heat and mass transfer + multi-scale (time): - silane decomposition: ~µs - gas and particle mixing: ~s - wall and reactor heat transfer: ~min - crystal growth: ~hr + multi-scale (length): - micro-scale: particle nucleation, growth, agglomeration and breakage (PBE). - macro-scale: fluid dynamics (CFD) - process-level: overall mass balance, particle size control and fluidized particle mass control. Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  3. Example 1. Polysilicon production by FBR: objectives Process-level objectives + To obtain polysilicon particles with uniform and big size. + To maximize the recovery within 9N purity + To control the fluidized particle mass at a set point adjusting W. + To control the particle size uniformly adjusting S, Fin, T, and solid holdup (s). Multi-scale simulation + Process-level modeling: overall mass balance. + Fluid-level modeling: CFD (computational fluid dynamics). + Particle size dynamics: PBE (population balance equation). + Reaction: CVD (chemical vapor deposition) kinetics Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  4. Example 1. Polysilicon production by FBR: multi-scale simulation Solution strategy + Sequential approach: sequential solving of CFD/CVD/PBE modules. + Simultaneous approach: simultaneous solving of the three modules Solution tools + Process-level modeling: Matlab + Fluid-level modeling: Fluent for CFD + Particle size dynamics: Matlab for PBE + Reaction: Matlab for CVD Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  5. Example 1. Polysilicon production by FBR: CFD modeling Momentum balance for gas and solid phases Mass balance Energy balance for gas and solid phases Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  6. Example 1. Polysilicon production by FBR: PBE modeling Number-based PBE Nucleation: Growth: Agglomeration or Breakage: Particle inlet/outlet: Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  7. Example 1. Polysilicon production by FBR: CVD modeling/mass CVD reaction kinetics Overall mass balance and P-control Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  8. Example 1. Polysilicon production by FBR: model analysis 1 Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  9. Example 1. Polysilicon production by FBR: model analysis 2 • Design parameters • Operating conditions: • Thermodynamic/physical properties • Model parameters • Computational parameters • Independent and dependent variables • Initial condition (IC) and boundary condition (BC)

  10. Example 1. Polysilicon production by FBR: model analysis 3 Accumulation term Convection term: Diffusion term (more extendedly tensor term) Source term (reaction, gravity, etc.) Signs in Navier-Stokes equation Units of each terms Balaji et al. (2010), Multiscale modeling in fluidized-bed for solar-grade poly-silicon production, Chem. Soc. Rev., 24, 279-287.

  11. Summary of Example 1 - Multi-scale simulation approach - Advantages - Limitations and Challenges

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