Computational modeling of silicon nanoparticle synthesis: I. a general two-dimensional model

Aerosol Science and Technology

Volumn 43, Issue 3, 2009, Pages 250-263

  Dang, Hongyi ^a   Swihart, Mark T ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85012447862     PISSN: 02786826     EISSN: 15217388     Source Type: Journal    
DOI: 10.1080/02786820802598059     Document Type: Article

References (49)

1. Barrett, J. C., and Webb, N. A. (1998). A Comparison of Some Approximate Methods for Solving the Aerosol General Dynamic Equation, J. Aerosol Sci. 29:31–39.
2. Becerra, R., and Walsh, R. (1992). Some Mechanistic Problems in the Kinetic Modeling of Monosilane Pyrolysis, J. Phys. Chem. 96:10856–10862.
3. Brenan, K. E., Campbell, S. L., and Petzold, L. R. (1989), Numerical Solution of Initial Value Problems in Differential-Algebraic Equations. Elsevier Science, New York.
4. Coltrin, M. E., Kee, R. J., and Evans, G. H. (1989). A Mathematical-Model of the Fluid-Mechanics and Gas-Phase Chemistry in a Rotating-Disc Chemical Vapor-Deposition Reactor, J. Electrochem. Soc. 136:819–829.
5. Coltrin, M. E., Kee, R. J., and Miller, J. A. (1984). A Mathematical-Model of the Coupled Fluid-Mechanics and Chemical-Kinetics in a Chemical Vapor-Deposition Reactor, J. Electrochem. Soc. 131:425–434.
6. Coltrin, M. E., Kee, R. J., and Miller, J. A. (1986). A Mathematical-Model of Silicon Chemical Vapor-Deposition—Further Refinements and the Effects of Thermal-Diffusion, J. Electrochem. Soc. 133:1206–1213.
7. Coltrin, M. E., Kee, R. J., Rupley, F. M., and Meeks, E. (1996). National Laboratories Report, SAND96-8216.
8. Frenklach, M. (2002). Method of Moments with Interpolative Closure, Chem. Eng. Sci. 57:2229–2239.
9. Frenklach, M., and Harris, S. J. (1987). Aerosol Dynamics Modeling Using the Method of Moments, J. Colloid Interface Sci. 118:252–261.
10. Friedlander, S. K. (2000), Smoke, Dust, and Haze: Fundamentals of Aerosol Dynamics. Oxford University Press, Oxford.
11. Gelbard, F., Tambour, Y., and Seinfeld, J. H. (1980). Sectional Representations for Simulating Aerosol Dynamics, J. Colloid Interface Sci. 76:541–556.
12. Girshick, S. L., Swihart, M. T., Suh, S. M., Mahajan, M. R., and Nijhawan, S. (2000). Numerical Modeling of Gas-Phase Nucleation and Particle Growth During Chemical Vapor Deposition of Silicon, J. Electrochem. Soc. 147:2303–2311.
13. Ho, P., Coltrin, M. E., and Breiland, W. G. (1994). Laser-Induced Fluorescence Measurements and Kinetic-Analysis of Si Atom Formation in a Rotating-Disc Chemical-Vapor-Deposition Reactor, J. Phys. Chem. 98:10138–10147.
14. Hounslow, M. J., Ryall, R. L., and Marshall, V. R. (1988). A Discretized Population Balance for Nucleation, Growth, and Aggregation, AIChE J. 34:1821–1832.
15. Kee, R. J., Dixon-Lewis, G., Warnatz, J., Coltrin, M. E., Miller, J. A., and Moffat, H. K. (1986). National Laboratories Report, SAND86-8246B.
16. Kee, R. J., Rupley, R. M., Meeks, E., and Miller, J. A. (1996). National Laboratories Report, SAND96-8216.
17. Kiss, L. B., Soderlund, J., Niklasson, G. A., and Granqvist, C. G. (1999). The Real Origin of Lognormal Size Distributions of Nanoparticles in Vapor Growth Processes, Nanostructured Materials 12:327–332.
18. Kumar, S., and Ramkrishna, D. (1996a). On the solution of population balance equations by discretization. 1. A fixed pivot technique, Chem. Eng. Sci. 51:1311–1332.
19. Kumar, S., and Ramkrishna, D. (1996b). On the solution of population balance equations by discretization. 2. A moving pivot technique, Chem. Eng. Sci. 51:1333–1342.
20. Landgrebe, J. D., and Pratsinis, S. E. (1990). A discrete-sectional model for particulate production by gas-phase chemical-reaction and aerosol coagulation in the free-molecular regime, J. Colloid Interface Sci. 139:63–86.
21. Lee, K. W., and Chen, H. (1984). Coagulation rate of polydisperse particles, Aerosol Sci. Technol. 3:327–334.
22. Lee, K. W., Chen, H., and Gieseke, J. A. (1984). Log-normally Preserving Size Distribution for Brownian Coagulation in the Free-Molecule Regime, Aerosol Sci. Technol. 3:53–62.
23. Lee, K. W., and Liu, B. Y. H. (1980). On the Minimum Efficiency and the Most Penetrating Particle-Size for Fibrous Filters, J. Air Pollution Control Association 30:377–381.
24. Li, X. G., He, Y. Q., Talukdar, S. S., and Swihart, M.T. (2003). Process for Preparing Macroscopic Quantities of Brightly Photoluminescent Silicon Nanoparticles with Emission Spanning the Visible Spectrum, Langmuir 19:8490–8496.
25. Lister, J. D., Smit, D. J., and Hounslow, M. J. (1995). Adjustable Discretized Population Balance for Growth and Aggregation, AIChE J. 41:591–603.
26. McGraw, R. (1997). Description of Aerosol Dynamics by the Quadrature Method of Moments, Aerosol Sci. Technol. 27:255–265.
27. McGraw, R., Nemesure, S., and Schwartz, S. E. (1998). Properties and Evolution of Aerosols with Size Distributions having Identical Moments, J. Aerosol Sci. 29:761–772.
28. McGraw, R., and Wright, D. L. (2003). Chemically Resolved Aerosol Dynamics for Internal Mixtures by the Quadrature Method of Moments, J. Aerosol Sci. 34:189–209.
29. Moffat, H. K., Jensen, K. F., and Carr, R. W. (1992a). Determination of the Arrhenius Rate Parameters for Si2H6 ↔ SiH4+ SiH2 and _H◦ f (SiH2) by RRKM Analysis of Forward and Reverse Reaction-Rate Data, J. Phys. Chem. 96:7683–7695.
30. Moffat, H. K., Jensen, K. F., and Carr, R. W. (1992b). Estimation of Arrhenius Parameters for the 1,1 Elimination of H2 from Si2H6 and the Role of Chemically Activated Disilane in Silane Pyrolysis, J. Phys. Chem. 96:7695–7703.
31. Nijhawan, S., McMurry, P. H., Swihart, M. T., Suh, S. M., Girshick, S. L., Campbell, S. A., and Brockmann, J. E. (2003). An Experimental and Numerical Study of Particle Nucleation and Growth During Low-Pressure Thermal Decomposition of Silane, J. Aerosol Sci. 34:691–711.
32. Ostraat, M. L., De Blauwe, J.W., Green, M. L., Bell, L. D., Atwater, H. A., and Flagan, R. C. (2001). Ultraclean Two-Stage Aerosol Reactor for Production of Oxide-Passivated Silicon Nanoparticles for Novel Memory Devices, J. Electrochem. Soc. 148:G265–G270.
33. Otto, E., Fissan, H., Park, S. H., and Lee, K. W. (1999). The Log-Normal Size Distribution Theory of Brownian Aerosol Coagulation for the Entire Particle Size Range: Part II—Analytical Solution Using Dahneke’s Coagulation Kernel, J. Aerosol Sci. 30:17–34.
34. Park, K. S., Lee, B.W., and Choi, M. (1999a). An Analysis of Aerosol Dynamics in the Modified Chemical Vapor Deposition, Aerosol Sci. Technol. 31:258–274.
35. Park, S. H., Lee, K. W., Otto, E., and Fissan, H. (1999b). The Log-Normal Size Distribution Theory of Brownian Aerosol Coagulation for the Entire Particle Size Range: Part I—Analytical Solution Using the Harmonic Mean Coagulation kernel, J. Aerosol Sci. 30:3–16.
36. Pratsinis, S. E. (1988). Simultaneous Nucleation, Condensation, and Coagulation in Aerosol Reactors, J. Colloid Interface Sci. 124:416–427.
37. Purnell, J. H., and Walsh, R. (1984). Some Comments on Kinetics and Mechanism in the Pyrolysis of Monosilane, Chem. Phys. Lett. 110:330–334.
38. Randolph, A. D., and Larson, M. A. (1971), Theory of Particulate Processes. Academic Press, New York.
39. Seigneur, C., Hudischewskyj, A. B., Seinfeld, J. H., Whitby, K. T., Whitby, E. R., Brock, J. R., and Barnes, H. M. (1986). Simulation of Aerosol Dynamics—A Comparative Review of Mathematical-Models, Aerosol Sci. Technol. 5:205–222.
40. Seinfeld, J. H. (1986), Atmospheric Chemistry and Physics of Air Pollution. Wiley-Interscience, New York.
41. Serna, S., and Marquina, A. (2004). Power ENO Methods: A Fifth-Order Accurate Weighted Power ENO Method, J. Comput. Phys. 194:632–658.
42. Seto, T., Kawakami, Y., Suzuki, N., Hirasawa, M., and Aya, N. (2001). Laser Synthesis of Uniform Silicon Single Nanodots, Nano Lett. 1:315–318.
43. Settumba, N., and Garrick, S. C. (2003). Direct Numerical Simulation of Nanoparticle Coagulation in a Temporal Mixing LayerVia a Moment Method, J. Aerosol Sci. 34:149–167.
44. Swihart, M. T., and Girshick, S. L. (1999). Thermochemistry and Kinetics of Silicon Hydride Cluster Formation During Thermal Decomposition of Silane, J. Phys. Chem. B 103:64–76.
45. Talukdar, S. S., and Swihart, M. T. (2004). Aerosol Dynamics Modeling of Silicon Nanoparticle Formation During Silane Pyrolysis: A Comparison of Three Solution Methods, J. Aerosol Sci. 35:889–908.
46. Tsantilis, S., Kammler, H. K., and Pratsinis, S. E. (2002). Population Balance Modeling of Flame Synthesis of Titania Nanoparticles, Chem. Eng. Sci. 57:2139–2156.
47. Waldmann, L., and Schmitt, K. H. (1966), Aerosol Science. Academic Press, London.
48. Wong, H.W., Li, X. G., Swihart, M. T., and Broadbelt, L. J. (2004). Detailed Kinetic Modeling of Silicon Nanoparticle Formation Chemistry Via Automated Mechanism Generation, J. Phys. Chem. A 108:10122–10132.
49. Zhang, Y., Seigneur, C., Seinfeld, J. H., Jacobson, M. Z., and Binkowski, F. S. (1999). Simulation of Aerosol Dynamics: A Comparative Review of Algorithms used in Air Quality Models, Aerosol Sci. Technol. 31:487–514.