Parallel high-resolution finite volume simulation of particulate processes

AIChE Journal

Volumn 54, Issue 6, 2008, Pages 1449-1458

  Gunawan, Rudiyanto ^a   Fusman, Irene ^b   Braatz, Richard D ^b  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Aggregation; Coagulation; Crystallization; Distributed parameter systems; Numerical analysis; Population balance equations

Indexed keywords

DISTRIBUTED PARAMETER SYSTEMS; POPULATION BALANCE EQUATIONS;

AEROSOLS; AGGLOMERATION; ALGORITHMS; COAGULATION; CRYSTALLIZATION; NUMERICAL METHODS;

PARTICLES (PARTICULATE MATTER);

AEROSOLS; AGGLOMERATION; ALGORITHMS; COAGULATION; CRYSTALLIZATION; NUMERICAL METHODS; PARTICLES (PARTICULATE MATTER);

EID: 44649170892     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.11484     Document Type: Article

References (42)

1. Hulburt HM, Katz S. Some problems in particle technology. Chem Eng Sci. 1964;19:555-574.
2. Randolph A, Larson MA. Theory of Particulate Processes, 2nd ed. San Diego: Academic Press, 1988.
3. Daoutidis P, Henson MA. Dynamics and control of cell populations in continuous bioreactors. AIChE Symp Ser. 2002;326:274-289.
4. Wang Y, Doyle FJ. Reachability of particle size distribution in semibatch emulsion polymerization. AIChE J. 2004;50:3049-3059.
5. Yuan HG, Kalfas G, Ray WH. Suspension polymerization. Polymer Rev. 1991;31:215-299.
6. Teipel U. Particle technology: design of particulate products and dispersed systems. Chem Eng Tech. 2004;27:751-756.
7. Ramkrishna D. Population Balances: Theory and Applications to Particulate Systems in Engineering. San Diego: Academic Press, 2000.
8. Rawlings JB, Miller SM, Witkowski WR. Model identification and control of solution crystallization processes: a review. Ind Eng Chem Res. 1993;32:1275-1296.
9. Costa CBB, Maciel MRW, Filho RM. Considerations on the crystallization modeling: population balance solution. Comp Chem Eng. 2007;31:206-218.
10. Braatz RD. Advanced control of crystallization processes. Annu Rev Contr. 2002;26:87-99.
11. LeVeque RJ. Finite Volume Methods for Hyperbolic Problems. New York: Cambridge University Press, 2002.
12. Ma DL, Tafti DK, Braatz RD. High resolution simulation of multidimensional crystal growth. Ind Eng Chem Res. 2002;41:6217-6223.
13. Gunawan R, Fusman I, Braatz R. High resolution finite volume algorithms for simulating multidimensional population balance equations with nucleation and size-dependent growth. AIChE J. 2004;50:2738-2749.
14. Qamar S, Elsner MP, Angelov IA, Warnecke G, Seidel-Morgenstern AA. Comparative Study of high resolution schemes for solving population balances in crystallization. Comp Chem Eng. 2006;30:1119-1131.
15. Qamar S, Warnecke G. Numerical solution of population balance equations for nucleation, growth and aggregation processes. Comp Chem Eng. 2007;31:1576-1589.
16. Ma DL, Tafti DK, Braatz RD. Optimal control and simulation of multidimensional crystallization processes. Comp Chem Eng. 2002; 26:1103-1116.
17. Woo XY, Tan RBH, Chow PS, Braatz RD. Simulation of mixing effects in antisolvent crystallization using a coupled CFD-PDF-PBE approach. Cryst Growth Des. 2006;6:1291-1303.
18. Qamar S, Ashfaq A, Warnecke G, Angelov IA, Elsner MP, Seidel-Morgenstern A. Adaptive high-resolution schemes for multidimensional population balances in crystallization processes. Comp Chem Eng. 2007;31:1296-1311.
19. Chen P, Sanyal J, Dudukovic MP. CFD modeling of bubble columns flows: implementation of population balance. Chem Eng Sci. 2004; 59:5201-5207.
20. Bermingham SK, Verheijen PJT, Kramer HJM. Optimal design of solution crystallization processes with rigorous models. Chem Eng Res Des. 2003;81:893-903.
21. Fox RO. Computational Models for Turbulent Reacting Flows. Cambdrige: Cambridge University Press, 2003.
22. Lian GP, Moore S, Heeney L. Population balance and computational fluid dynamics modelling of ice crystallisation in a scraped surface freezer. Chem Eng Sci. 2006;61:7819-7826.
23. Costa CBB, Maciel MRW, Filho RM. Factorial design technique applied to genetic algorithm parameters in a batch cooling crystallization optimization. Comp Chem Eng. 2005;29:2229-2241.
24. Irizarry R. A generalized framework for solving dynamic optimization problems using the artificial chemical process paradigm: applications to particulate processes and discrete dynamic systems. Chem Eng Sci. 2005;60:5663-5681.
25. Shi D, Mhaskar P, El-Farra NH, Christofides PG. Predictive control of crystal size distribution in protein crystallization. Nanotechnology 2005;16:S562-S574.
26. Gunawan R, Fusman I, Braatz RD. ParticleSolver. Available at http://cheed.nus.edu.sg/~chegr/ParticleSolver.htm or http://brab.ms. scs.uiuc.edu/lssrl/software/ParticleSolver. 2007.
27. Friedlander SK. Smoke, Dust and Haze. New York: Wiley, 1977.
28. Gelbard F, Seinfeld JH. Numerical solution of the dynamic equation for particulate systems. J Comput Phys. 1978;28:357-375.
29. Hounslow MJ, Ryall RL, Marshall VR. A discretized population balance for nucleation, growth, and aggregation. AIChE J. 1988;34: 1821-1832.
30. Nicmanis M, Hounslow MJ. Finite-element methods for steady-state population balance equations. AIChE J. 1998;44:2258-2272.
31. Hounslow MJ. A discretized population balance for continuous systems at steady-state. AIChE J. 1990;36:106-116.
32. Litster JD, Smit DJ, Hounslow MJ. Adjustable discretized population balance for growth and aggregation. AIChE J. 1995;41:591-603.
33. Golovin AM. The solution of the coagulation equation for raindrops, taking condensation into account. Sov Phys Dokl. 1963;8: 191-193.
34. Ramabhadran TE, Peterson TW, Seinfeld JH. Dynamics of aerosol coagulation and condensation. AIChE J. 1976;22:840-851.
35. Press WH, Flannery BP, Teukolsky SA, Vetterling WT. Numerical Recipes in C: The Art of Scientific Computing, 2nd ed. New York: Cambridge University Press, 1993.
36. Turkevich J, Stevenson PC, Hillier J. A study of the nucleation and growth in the synthesis of colloidal gold. Discuss Faraday Soc. 1951;11:55-75.
37. Kumar S, Gandhi KS, Kumar R. Modeling of formation of gold nanoparticles by citrate method. Ind Eng Chem Res. 2007;46:3128-3136.
38. Frens G. Controlled nucleation for the regulation of the particle size in monodisperse gold suspensions. Nature 1973;241:20-22.
39. Abid JP. Laser induced synthesis and nonlinear optical properties of metal nanoparticles, PhD Thesis, Ecole Polytechnique Federale de Lausanne, France, 2003.
40. Freund P, Spiro M. Colloidal catalysis: the effect of sol size and concentration. J Phys Chem. 1985;89:1074-1077.
41. Gunawan R, Ma DL, Fujiwara M, Braatz RD. Identification of kinetic parameters in a multidimensional crystallization process. Int J Mod Phys B. 2002;16:367-374.
42. Togkalidou T, Fujiwara M, Patel S, Braatz RD. Solute concentration prediction using chemometrics and ATR-FTIR spectroscopy. J Cryst Growth. 2001;231:534-543.