Modeling and simulation of titanium dioxide nanoparticle synthesis with finite-rate sintering in planar jets

Journal of Nanoparticle Research

Volumn 13, Issue 3, 2011, Pages 973-984

  Garrick, Sean C ^a   Wang, Guanghai ^a  

^a University of Minnesota   (United States)

Author keywords

Flames; Fluid mechanics; Modeling; Nanoparticles; Simulation; Sintering

Indexed keywords

AGGLOMERATED PARTICLES; DIFFUSION FLAME; FLAMES; FLUID MIXING; METHANE-AIR FLAMES; MODELING; MODELING AND SIMULATION; NODAL METHOD; NON-PREMIXED; NUMERICAL SIMULATION; ONE-STEP REACTIONS; PLANAR JETS; SIMULATION; SINTERING MODELS; TITANIA; TITANIUM DIOXIDE NANOPARTICLES; TITANIUM TETRACHLORIDES; TWO-DIMENSIONAL NAVIER-STOKES EQUATIONS; VELOCITY RATIO;

COAGULATION; COALESCENCE; COMPUTER SIMULATION; CONTACTS (FLUID MECHANICS); FLAME SYNTHESIS; FLUID MECHANICS; METHANE; NAVIER STOKES EQUATIONS; OXIDATION; OXIDES; PARTICLE SIZE ANALYSIS; TITANIUM; TITANIUM DIOXIDE;

SINTERING;

METHANE; NANOPARTICLE; TITANIUM DIOXIDE; TITANIUM TETRACHLORIDE;

ARTICLE; CHEMICAL MODEL; DIFFUSION; FLOW RATE; OXIDATION; PARTICLE SIZE; PRIORITY JOURNAL; SIMULATION; SYNTHESIS;

EID: 79956106324     PISSN: 13880764     EISSN: 1572896X     Source Type: Journal    
DOI: 10.1007/s11051-010-0097-x     Document Type: Article

References (50)

1. 2 particles by in-situ FTIR spectroscopy and thermophoretic sampling. Combust Flame 124:560-572
2. Artelt C, Schmid HJ, Peukert W (2003) On the relevance of accounting for the evolution of the fractal dimension in aerosol process simulations. J Aerosol Sci 34:511-534 (Pubitemid 38352541)
3. Beaucage G, Kammler HK, Mueller R, Strobel R, Agashe N, Pratsinis SE, Narayanan T (2004) Probing the dynamics of nanoparticle growth in a flame using synchrotron radiation. Nat Mater 3(6):370-373
4. Bilger RW (1988) The structure of turbulent nonpremixed flames. In: Proceedings of 22nd symposium (international) on Combustion. The Combustion Institute, Pittsburgh, PA, pp 475-488
5. Biswas P, Wu CY, Zachariah MR, McMillin B (1997) Characterization of iron oxide-silica nanocomposites in flames: part II: comparison of discrete-sectional model predictions to experimental data. J Mater Res 12:714-723 (Pubitemid 127564681)
6. Colucci PJ, Jaberi FA, Givi P, Pope SB (1998) Filtered density function for large eddy simulation of turbulent reacting flows. Phys Fluids 10(2):499-515 (Pubitemid 128616916)
7. Friedlander KS (2000) Smoke, dust and haze: fundamentals of aerosol dynamics. Oxford University Press, New York
8. Garrick SC, Lehtinen KEJ, Zachariah MR (2001) Modeling and simulation of nanoparticle coagulation in high Reynolds number incompressible flows. In: Proceedings of Joint US Sections Meeting of the Combustion Institute, Oakland, CA
9. Garrick SC, Lehtinen KEJ, Zachariah MR (2006) Nanoparticle coagulation via a Navier-Stokes/nodal methodology: evolution of the particle field. J Aerosol Sci 37(5):555-576
10. Gelbard F, Seinfeld JH (1980) Simulation of multicomponent aerosol dynamics. J Colloid Interface Sci 78:485-501
11. Gelbard F, Tambour Y, Seinfeld JH (1980) Sectional representations for simulating aerosol dynamics. J Colloid Interface Sci 76:541-556
12. 2. Symp Faraday Soc 70:63-76
13. Givi P (1989) Model free simulations of turbulent reactive flows. Prog Energy Combust Sci 15:1-107
14. Hinds WC (1999) Aerosol technology: properties, behavior and measurement of airborne particles, 2nd edn. Wiley, New York
15. Hounslow M, Ryall R, Marshall V (1988) Discretized population balance for nucleation, growth, and aggregation. AICHE J 34(11):1821-1832
16. Jaberi FA, Colucci PJ, James S, Givi P, Pope SB (1999) Filtered mass density function for large eddy simulation of turbulent reacting flows. J Fluid Mech 401:85-121 (Pubitemid 129657824)
17. James S (1998) Realistic chemistry in large scale numerical simulations of methane diffusion flames. Ph.D. Thesis, Department of Mechanical and Aerospace Engineering, State University of New York at Buffalo, Buffalo, NY
18. James S, Jaberi FA (2000) Large scale simulations of two-dimensational nonpremixed methane jet flames. Combust Flame 123:465-487
19. Jeong JI, Choi M (2003) Analysis of non-spherical polydisperse particle growth in a two-dimensional tubular reactor. J Aerosol Sci 34:713-732 (Pubitemid 36555599)
20. Johannessen T, Pratsinis SE, Livbjerg H (2001) Computational analysis of coagulation and coalescence in the flame synthesis of titania particles. Powder Technol 118:242-250 (Pubitemid 32707958)
21. Khakpour M (2004) The effects of differential diffusion and flow-field on nanoparticle coagulation. M.S. Thesis, University of Minnesota, Minneapolis, MN
22. Kuo KK, Rivera JD (eds) (2007) Advancements in energetic materials and chemical propulsion. Begell House Inc., New York
23. Lehtinen KEJ, Zachariah MR (2001) Self-preserving theory for the volume distribution of particles undergoing Brownian coagulation. J Colloid Interface Sci 242:314-318 (Pubitemid 32955258)
24. Lehtinen KEJ, Zachariah MR (2002) Energy accumulation in nanoparticle collision and coalescence processes. J Aerosol Sci 33:357-368 (Pubitemid 33122022)
25. Miller S, Garrick SC (2004) Nanoparticle coagulation in a planar jet. Aerosol Sci Technol 38(1):79-89 (Pubitemid 38076354)
26. Modem S, Garrick SC (2003) Nanoparticle coagulation in a temporal mixing layer: mean and size-selected images. J Visualization 6(3):333-342
27. Modem S, Garrick SC, Zachariah MR, Lehtinen KEJ (2002) Direct numerical simulation of nanoparticle coagulation in a temporal mixing layer. In: Proceedings of the 29th symposium (international) on combustion. The Combustion Institute, Pittsburgh, PA, pp 1071-1077
28. Moody EG, Collins LR (2003) Effect of mixing on the nucleation and growth of titania particles. Aerosol Sci Technol 37(5):403-424
29. Mungal MG, Dimotakis PE (1984) Mixing and combustion with low heat release in a turbulent mixing layer. J Fluid Mech 148:349-382 (Pubitemid 15438200)
30. Park S, Rogak SN (2003) A one-dimensional model for surface coagulation, sintering, and surface growth of aerosol agglomerates. Aerosol Sci Technol 37(12):947-960 (Pubitemid 37414106)
31. Park S, Rogak SN (2004) A novel fixed-sectional model for the formation and growth of aerosol agglomerates. J Aerosol Sci 35(11):1385-1404 (Pubitemid 39457751)
32. Pratsinis SE (1989) Particle production by gas-to-particle conversion in turbulent flows. J Aerosol Sci 20(8):1461-1464
33. Pratsinis SE (1998) Flame aerosol synthesis of ceramic powders. Prog Energy Combust Sci 24:197-219
34. Pyykönen J, Jokiniemi J (2000) Computational fluid dynamics based sectional aerosol modelling schemes. J Aerosol Sci 31(5):531-550 (Pubitemid 30102249)
35. Rao N, Girshick S, Heberlein J, McMurry P, Jones S, Hansen D, Michael B (1995) Nanoparticle formation using a plasma expansion process. Plasma Chem Plasma Proc 15:581
36. Schwade B, Roth P (2003) Simulation of nano-particle formation in a wall-heated aerosol reactor including coalescence. J Aerosol Sci 34:339-357 (Pubitemid 36279422)
37. Settumba N, Garrick SC (2003) Direct numerical simulation of nanoparticle coagulation in a temporal mixing layer via a moment method. J Aerosol Sci 34:149-167 (Pubitemid 36042838)
38. Settumba N, Garrick SC (2007) Modeling and simulation of nano-aluminum synthesis in a plasma reactor. In: Kuo KK, Rivera JD (eds) Advancements in energetic materials and chemical propulsion. Begell House Inc., New York, pp 643-655
39. Steinberger CJ, Vidoni TJ, Givi P (1993) The compositional structure and the effects of exothermicity in a nonpremixed planar jet flame. Combust Flame 94:217-232 (Pubitemid 23226451)
40. Tsantilis S, Pratsinis SE (2000) Evolution of primary and aggregate particle-size distributions by coagulation and sintering. AICHE J 46:407-415 (Pubitemid 30110945)
41. Tsantilis S, Kammler HK, Pratsinis SE (2002) Population balance modeling of flame synthesis of titania nanoparticles. Chem Eng Sci 57:2139-2156 (Pubitemid 34850488)
42. Wang G, Garrick SC (2005) Modeling and simulation of titania synthesis in two-dimensional methane-air flames. J Nano Res 7:621-632 (Pubitemid 41767362)
43. Wang G, Garrick SC (2006) Modeling and simulation of titania formation and growth in temporal mixing layers. J Aerosol Sci 37(4):431-451
44. Wegner K, Pratsinis SE (2003) Nozzle-quenching process for controlled flame synthesis of titania nanoparticles. AIChE J 49(7):1667-1675 (Pubitemid 36871170)
45. Williams FA (1989) Structure of flamelets in turbulent reacting flows and influences of combustion on turbulence fields. In: Borghi R, Murthy SNB (eds) Turbulent reactive flows. Lecture notes in engineering, vol 40. Springer, New York, pp 195-212
46. Williams J, Lansdown R, Sweitzer R, Romanowski M, LaBell R, Ramaswami R, Unger E (2003) Nanoparticle drug delivery system for intravenous delivery of topoisomerase inhibitors. J Control Release 91(1):167-172 (Pubitemid 37288887)
47. Wooldridge MS (1998) Gas-phase combustion synthesis of particles. Prog Energy Combust Sci 24:63-87
48. Xiong Y, Pratsinis SE (1993) Formation of agglomerate particles by coagulation and sintering - part I. A two-dimensional solution of the population balance equation. J Aerosol Sci 24(3):283-300 (Pubitemid 23668899)
49. Yang G, Biswas P (1997) Study of the sintering of nanosized titania agglomerates in flames using in situ light scattering measurement. Aerosol Sci Technol 27:507-521 (Pubitemid 27408658)
50. Zachariah M, Chin B, Semerjian H, Katz J (1989) Silica particle synthesis in a counter flow diffusion flame reactor. Combust Flame 78:287