Monte Carlo simulation of particle aggregation and simultaneous restructuring

Journal of Colloid and Interface Science

Volumn 213, Issue 2, 1999, Pages 273-286

  Tandon, Pushkar ^a   Rosner, Daniel E ^a  

^a Yale University   (United States)

Author keywords

Aerosol dynamics; Aggregate coagulation; Aggregate sintering; Bi variate population balance; Monte Carlo simulation; Serf preserving distributions

Indexed keywords

ALGORITHM; ARTICLE; HIGH TEMPERATURE; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; SIMULATION; SYSTEM ANALYSIS;

EID: 0033562291     PISSN: 00219797     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcis.1998.6036     Document Type: Article

References (59)

1. Akhtar M., Lipscomb L., Pratsinis S. E. Monte-Carlo Particle Coagulation and Sintering. Aerosol Sci. Tech. 21:1994;83.
2. Allen M. P., Tildesley D. J. Computer Simulations of Liquids. 1991;Oxford Univ. Press, Oxford.
3. Bird G. A. Molecular Gas Dynamics. 1992;Oxford Univ. Press, Oxford.
4. Cohen R. D. The probability of capture and its impact on the Floc structure. J. Chem. Soc. Faraday Trans. II. 85:1989;1487.
5. Cohen, R. D. Rosner, D. E. Tandon, P. Kinetics of Restructuring of Large Multi-Particle Aggregates, 1999.
6. Diemer, R. B. Olson, J. 1996.
7. Friedlander S. K. Smoke, Dust and Haze. 1977;Wiley, New York.
8. Friedlander S. K., Wang C. S. The self-preserving particle size distribution for coagulation by Brownian diffusion. J. Colloid Interface Sci. 22:1966;126.
9. Gillispie D. T. An exact method for numerically simulating the stochastic coalescence process in a cloud. J. Atmos. Sci. 32:1975;1977.
10. Gooch J. R., Hounslow M. J. Monte-Carlo simulations of size enlargement mechanisms in crystallization. AIChE J. 42:1996;1864.
11. Helble J. J., Sarofim A. F. Factors determining the primary particle size of flame-generated inorganic aerosols. J. Colloid Interface Sci. 128:1989;348.
12. Julien R., Meakin P. Simple models for the restructuring of three-dimensional ballistic aggregates. J. Colloid Interface Sci. 127:1989;265.
13. Koch W., Friedlander S. K. The effect of particle coalescence on the surface area of a coagulating aerosol. J. Colloid Interface Sci. 140:1990;419.
14. Koylu U. O., Xing Y., Rosner D. E. Fractal morphology analysis of combustion generated aggregates using angular light scattering and electron microscope images. Langmuir. 11:1995;4848.
15. Landgrebe J. D., Pratsinis S. E. Gas phase manufacture of particulates: Interplay of chemical reaction and aerosol coagulation in the free-molecular regime. Ind. Eng. Chem/Res. (ACS). 28:1989;1474.
16. Lee K. W., Chen H., Gieseke J. A. Log normally preserving size distribution for Brownian coagulation in the free molecule regime. Aerosol Sci. Tech. 3:1984;53.
17. Lehtinen K. E. J., Windeler R. S., Friedlander S. K. A note on the growth of primary particles in agglomerate structures by coalescence. J. Colloid Interface Sci. 182:1996;606.
18. Mackowski D. W., Tassopoulos M., Rosner D. E. Effect of radiative heat transfer on the coagulation dynamics of combustion generated particles. Aerosol Sci. Tech. 20:1994;83.
19. Martinez-Herrera J., Derby J. J. Analysis of capillary driven viscous flows during the sintering of ceramic powders. AIChE J. 40:1994;1794.
20. Matsoukas T., Friedlander S. K. Dynamics of aerosol aggregate formation. J. Colloid Interface Sci. 146:1991;495.
21. Meakin P., The growth of fractal aggregates. Time-Dependent Effects in Disordered Materials. 1987;Plenum Press, New York/London. p. 45-70.
22. Megaridis C. M., Dobbins R. A. Morphological description of flame-generated materials. Comb. Sci. Tech. 71:1990;95.
23. Mullins M. W. Mass transport at interfaces in single component systems. Metal. Mater. Trans. A. 26:1995;1917.
24. Nyeki S., Colbeck I. Fractal dimension analysis of single,in situ, Aerosol Sci. Tech. 23:1993;109.
25. Oh C., Sorensen C. M. Light scattering study of fractal cluster aggregation near the free-molecular regime. J. Aerosol Sci. 28:1997;937.
26. Papadopoulos D. H., Rosner D. E. Enclosure gas flows driven by non-isothermal walls. Phys. Fluids. 7:1995;2535.
27. Potanin A. A. On computer simulation of the deformation and breakup of colloidal aggregates in shear flow. J. Colloid Interface Sci. 157:1993;399.
28. Raabe O. G. Particle size analysis utilizing grouped data and the log-normal distribution. J. Aerosol Sci. 2:1971;289.
29. Randolph A. D., Larson M. A. Theory of Particulate Processes. 1988;Academic Press, New York.
30. Rosner D. E. Total mass deposition rates from polydispersed aerosols. AIChE J. 35:1989;164.
31. Rosner, D. E. Yu. S. Tandon, P. Vapor scavenging and mass deposition rates of coagulation-aged populations of non-spherical particles distributed with respect to both particle volume and surface area, 1999.
32. Rosner, D. E. Tandon, P. Accessible surface area/volume and sorptive capacity of populations of 'micro-porous' particles (aggregates) distributed with respect to both size and shape, 1999.
33. Rosner D. E., Tandon P. Prediction and correlation of accessible area of large multi-particle aggregates. AIChE J. 40:1994;1167.
34. Rosner D. E., Tassopoulos M. Deposition rates from polydispersed particle populations of arbitrary spread. AIChE J. 35:1989;1497.
35. Rosner D. E., Mackowski D. W., Tassopoulos M., Castillo J. L., Garcia Ybarra P. Effects of heat transfer on the dynamics and transport of small particles in gases. I/EC Res. 31:1992;760.
36. Schaefer D. W. Fractal models and structure of materials. MRS Bull. 8:1988;22.
37. Schmidt-Ott A. In situ. Appl. Phys. Lett. 52:1988;954.
38. Schumann T. E. W. Theoretical aspects of the size distribution of fog particles. Quart. J. Roy. Meteor. Soc. 66:1940;195.
39. Smoluchowski M. von. Versuch einer Mathematischen Theorie der Koagulationskinetic Kollider Losungen. Z. Phys. Chem. 92:1917;129.
40. Smith M., Matsoukas T. Constant-number Monte-Carlo simulation of population balances. Chem. Eng. Sci. 53:1998;1777.
41. Sorenson C., Cai J., Lu N. Light scattering measurements of monomer size, monomers per aggregate, and fractal dimension for soot aggregates in flames. Appl. Optics. 31:1992;6547.
42. Spouge J. L. Monte-Carlo result for random coagulation. J. Colloid Interface Sci. 107:1985;38.
43. Swift D. L., Friedlander S. K. The coagulation of hydrosols by Brownian motion and laminar shear flow. J. Colloid Interface Sci. 19:1964;621.
44. Tandon P. Transport Theory for Particles Generated in Combustion/CVD Environments. 1995;Department of Chemical EngineeringYale Univ. New Haven.
45. Tandon P., Rosner D. E. Sintering kinetics and transport evolution of large multi-particle aggregates. Chem. Eng. Comm. 151:1996;147.
46. Tandon P., Rosner D. E. Translational Brownian diffusion coefficient of large (multi-particle) aggregates. I/EC Res. 34:1995;3265.
47. Tandon P., Adewumi M. A. Particle deposition from turbulent flow in a pipe. J. Aerosol Sci. 29:1998;141.
48. Tandon, P. Rosner, D. E. Kinetics of multi-particle fractal aggregates undergoing surface and bulk diffusion sintering, 1997.
49. Tandon, P. Yu, S. Rosner, D. E. Monte-Carlo simulation of particle generation, morphological evolution and transport in laminar counterflow diffusion flames, 1999.
50. Tassopoulos M., Rosner D. E. Microstructural descriptors characterizing granular deposit. AIChE J. 38:1992;15.
51. Xing Y., Koylu U. O., Rosner D. E. Synthesis and restructuring of inorganic nanoparticles in counterflow diffusion flames. Combustion and Flame. 107:1996;85.
52. Xing Y., Rosner D. E., Koylu U. O., Tandon P. Morphological evolution of oxide nano-particles in laminar counterflow diffusion flames - measurements and modeling. AIChE J. 43:1997;2641.
53. Xing Y., Koylu U. O., Tandon P., Rosner D. E. Measuring and modeling the synthesis and morphological evolution of particles in counterflow diffusion flames. Proc. Fifth World Congress of Chemical Engineering, AIChE, San Diego, CA, July, 1996. 1996;. p. 43-48.
54. Xing Y., Rosner D. E. Surface melting of ultrafine particles: predicting spherule size in vapor phase nanometer particle formation, Paper V5.36. Proc. Fall 1996 MRS Mtg. 1996;. p. 521.
55. Xing Y., Koylu U. O., Rosner D. E. In situ. Appl. Optics. 1999.
56. Xiong Y., Pratsinis S. E. Formation of agglomerate particles by coagulation and sintering: Part I-A, Two dimensional solution of the population balance equation. J. Aerosol Sci. 24:1993;283.
57. Vemury S., Pratsinis S. E. Self-preserving distributions of agglomerates. J. Aerosol Sci. 26:1995;175.
58. Weber, A. P. Friedlander, S. K. Determination of bond strength between nano-sized particles, MRS Symp. Proceedings, San Francisco, 1994, J. Aerosol Sci., 28.
59. Wu M. K., Friedlander S. K. Enhanced power law agglomerate growth in the free molecular regime. J. Aerosol Sci. 24:1993;273.