Modeling of silver nanoparticle formation in a microreactor: Reaction kinetics coupled with population balance model and fluid dynamics

Industrial and Engineering Chemistry Research

Volumn 53, Issue 11, 2014, Pages 4263-4270

  Liu, Hongyu ^a   Li, Jun ^a   Sun, Daohua ^a   Odoom Wubah, Tareque ^a   Huang, Jiale ^a   Li, Qingbiao ^a,b  

^a XIAMEN UNIVERSITY   (China)

^b QUANZHOU NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL FLUID DYNAMICS; COUPLED CIRCUITS; KINETICS; METHOD OF MOMENTS; NANOPARTICLES; REACTION KINETICS;

KINETIC THEORY OF GRANULAR FLOW; MICRO-REACTOR; MULTIPHASE MODEL; POPULATION BALANCE MODELING; QUADRATURE METHOD OF MOMENTS; REACTIVE KINETICS; SILVER NANOPARTICLES; SILVER NANOPARTICLES (AGNPS);

SILVER;

EID: 84896531071     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie4031314     Document Type: Article

References (50)

1. Brown, K. R.; Walter, D. G.; Natan, M. J. Seeding of colloidal Au nanoparticle solutions. 2. Improved control of particle size and shape Chem. Mater. 2000, 2, 306
2. Grzelczak, M.; Perez-Juste, J.; Mulvaney, P.; Liz-Marzan, L. M. Shape control in gold nanoparticle synthesis Chem. Soc. Rev. 2008, 9, 1783
3. Oshitani, J.; Kataoka, N.; Yoshida, M.; Gotoh, K.; Imamura, K. Rod-shaped hydroxyapatite nanoparticle formation by maturation with AOT Chem. Lett. 2011, 10, 1085
4. Skrabalak, S. E.; Au, L.; Li, X. D.; Xia, Y. N. Facile synthesis of Ag nanocubes and Au nanocages Nat. Protoc. 2007, 9, 2182
5. Byrne, J. M.; Telling, N. D.; Coker, V. S.; Pattrick, R. A. D.; van der Laan, G.; Arenholz, E.; Tuna, F.; Lloyd, J. R. Control of nanoparticle size, reactivity and magnetic properties during the bioproduction of magnetite by Geobacter sulfurreducens Nanotechnology 2011, 45, 455709
6. Hwang, L.; Zhao, G. P.; Zhang, P. J.; Rosi, N. L. Size-controlled peptide-directed synthesis of hollow spherical gold nanoparticle superstructures Small 2011, 14, 1939
7. Armendariz, V.; Herrera, I.; Peralta-Videa, J. R.; Jose-Yacaman, M.; Troiani, H.; Santiago, P.; Gardea-Torresdey, J. L. Size controlled gold nanoparticle formation by Avena sativa biomass: use of plants in nanobiotechnology J. Nanopart. Res. 2004, 4, 377
8. Wu, L.; Wu, W.; Jing, X.; Huang, J.; Sun, D.; Tareque, O. W.; Liu, H.; Wang, H.; Li, Q. Trisodium citrate-assisted biosynthesis of silver nanoflowers by Canarium album foliar broths as a platform for SERS detection Ind. Eng. Chem. Res. 2013, 52, 5085
9. Smoluchowski, M. Drei vorträge über diffusion, brownsche bewegung und koagulation von kolloidteilchen Z. Phys. 1916, 17, 557
10. Smoluchowski, M. Versuch einer mathematishen theorie der koagulationskinetik kolloider lösungen Z. Phys. Chem. 1917, 92, 129
11. Hulburt, H. M.; Katz, S. Some problems in particle technology: a statistical mechanical formulation Chem. Eng. Sci. 1964, 19, 555
12. Randolph, A. D.; Larson, M. A. Theory of Particulate Processes; Academic Press: New York, 1972.
13. Williams, F. A. Spray combustion and atomisation Phys. Fluids 1958, 1, 541
14. Rigopoulos, S. Population balance modelling of polydispersed particles in reactive flows Prog. Energy Combust. 2010, 4, 412
15. van Embden, J.; Sader, J. E.; Davidson, M.; Mulvaney, P. Evolution of colloidal nanocrystals: theory and modeling of their nucleation and growth J. Phys. Chem. C 2009, 37, 16342
16. Vale, H. M.; McKenna, T. F. Modeling particle size distribution in emulsion polymerization reactors Prog. Polym. Sci. 2005, 10, 1019
17. Sajjadi, S. Population balance modeling of particle size distribution in monomer-starved semibatch emulsion polymerization AIChE J. 2009, 12, 3191
18. Alamir, M.; Sheibat-Othman, N.; Othman, S. Measurement based modeling and control of bimodal particle size distribution in batch emulsion polymerization AIChE J. 2010, 8, 2122
19. Ethayaraja, M.; Bandyopadhyaya, R. Population balance models and Monte Carlo simulation for nanoparticle formation in water-in-oil microemulsions: Implications for CdS synthesis J. Am. Chem. Soc. 2006, 51, 17102
20. Li, J.; Rodrigues, M.; Paiva, A.; Matos, H. A.; de Azevedo, E. G. Modeling of the PGSS process by crystallization and atomization AIChE J. 2005, 8, 2343
21. Harris, C. K.; Roekaerts, D.; Rosendal, F. J. J.; Buitendijk, F. G. J.; Daskopoulos, P.; Vreenegoor, A. J. N.; Wang, H. Computational fluid dynamics for chemical reactor engineering Chem. Eng. Sci. 1996, 10, 1569
22. Wang, Z.; Zhang, Q.; Yang, C.; Mao, Z. S.; Shen, X. Simulation of barium sulfate precipitation using CFD and FM-PDF modeling in a continuous stirred tank Chem. Eng. Technol. 2007, 12, 1642
23. Jaworski, Z.; Nienow, A. W. CFD modelling of continuous precipitation of barium sulphate in a stirred tank Chem. Eng. J. 2003, 2-3, 167
24. Sierra-Pallares, J.; Alonso, E.; Montequi, I.; Cocero, M. J. Particle diameter prediction in supercritical nanoparticle synthesis using three-dimensional CFD simulations. Validation for anatase titanium dioxide production Chem. Eng. Sci. 2009, 13, 3051
25. Garrick, S. C.; Wang, G. H. Modeling and simulation of titanium dioxide nanoparticle synthesis with finite-rate sintering in planar jets J. Nanopart. Res. 2011, 3, 973
26. Cheng, J. C.; Yang, C.; Mao, Z. S.; Zhao, C. J. CFD modeling of nucleation, growth, aggregation, and breakage in continuous precipitation of barium sulfate in a stirred tank Ind. Eng. Chem. Res. 2009, 15, 6992
27. Freireich, B.; Li, J. F.; Litster, J.; Wassgren, C. Incorporating particle flow information from discrete element simulations in population balance models of mixer-coaters Chem. Eng. Sci. 2011, 16, 3592
28. Akroyd, J.; Smith, A. J.; Shirley, R.; McGlashan, L. R.; Kraft, M. A coupled CFD-population balance approach for nanoparticle synthesis in turbulent reacting flows Chem. Eng. Sci. 2011, 66, 3792
29. Woo, X. Y.; Tan, R. B. H.; Chow, P. S.; Braatz, R. D. Simulation of mixing effects in antisolvent crystallization using a coupled CFD-PDF-PBE approach Cryst. Growth Des. 2006, 6, 1291
30. Cheng, J. C.; Yang, C.; Mao, Z. S. CFD-PBE simulation of premixed continuous precipitation incorporating nucleation, growth and aggregation in a stirred tank with multi-class method Chem. Eng. Sci. 2012, 1, 469
31. Wang, T. F.; Wang, J. F. Numerical simulations of gas-liquid mass transfer in bubble columns with a CFD-PBM coupled model Chem. Eng. Sci. 2007, 24, 7107
32. Venneker, B. C. H.; Derksen, J. J.; Van den Akker, H. E. A. Population balance modeling of aerated stirred vessels based on CFD AIChE J. 2002, 4, 673
33. Zhou, Y.; Wang, H.; Lin, W.; Lin, L.; Gao, Y.; Yang, F.; Du, M.; Fang, W.; Huang, J.; Sun, D.; Li, Q. Quantitative nucleation and growth kinetics of gold nanoparticles via model-assisted dynamic spectroscopic approach J. Colloid Interface Sci. 2013, 407, 8
34. Yang, J.; Grey, K.; Doney, J. An improved kinetics approach to describe the physical stability of amorphous solid dispersions Int. J. Pharm. 2010, 1-2, 24
35. Fan, R.; Marchisio, D. L.; Fox, R. O. Application of the direct quadrature method of moments to polydisperse gas-solid fluidized beds Powder Technol. 2004, 1, 7
36. Lemanowicz, M.; Al-Rashed, M. H.; Gierczycki, A. T.; Kocurek, J. Application of the QMOM in research on the behavior of solid-liquid suspensions Chem. Biochem. Eng. Q. 2009, 2, 143
37. Mazzei, L.; Marchisio, D. L.; Lettieri, P. Direct quadrature method of moments for the mixing of inert polydisperse fluidized powders and the role of numerical diffusion Ind. Eng. Chem. Res. 2010, 11, 5141
38. Mazzei, L.; Marchisio, D. L.; Lettieri, P. New quadrature-based moment method for the mixing of inert polydisperse fluidized powders in commercial CFD codes AIChE J. 2012, 58, 3054
39. Liu, H.; Huang, J.; Sun, D.; Lin, L.; Lin, W.; Li, J.; Jiang, X.; Wu, W.; Li, Q. Microfluidic biosynthesis of silver nanoparticles: Effect of process parameters on size distribution Chem. Eng. J. 2012, 209, 568
40. Hulburt, H.; Katz, S. Some problems in particle technology: a statistical mechanical formulation Chem. Eng. Sci. 1964, 19, 555
41. Randolph, A. D.; Larson, M. A. Theory of Particulate Processes: Analysis and Techniques of Continuous Crystallization; Academic Press: New York, 1988.
42. Marchisio, D. L.; Pikturna, J. T.; Fox, R. O.; Vigil, R. D.; Barresi, A. A. Quadrature method of moments for population-balance equations AIChE J. 2003, 5, 1266
43. McGraw, R. Description of aerosol dynamics by the quadrature method of moments Aerosol Sci. Technol. 1997, 2, 255
44. Huang, Q. S.; Yang, C.; Yu, G. Z.; Mao, Z. S. CFD simulation of hydrodynamics and mass transfer in an internal airlift loop reactor using a steady two-fluid model Chem. Eng. Sci. 2010, 20, 5527
45. Fluent 6.3 User's Guide; Fluent Inc.: New York, 2006.
46. Manninen, M.; Taivassalo, V.; Kallio, S. On the mixture model for multiphase flow. VTT Publications 288, Technical Research Centre of Finlan d, 1996.
47. Schiller, L.; Naumann, Z. A drag coefficient correlation Z. Ver. Dtsch. Ing. 1935, 77, 318
48. Gidaspow, D.; Bezburuah, R.; Ding, J. Hydrodynamics of circulating fluidized beds: kinetic theory approach. Fluidization VII, Proceedings of the Seventh Engineering Foundation Conference on Fluidization, 1992; p 75.
49. Huang, J.; Zhan, G.; Zheng, B.; Sun, D.; Lu, F.; Lin, Y.; Chen, H.; Zheng, Z.; Zheng, Y.; Li, Q. Biogenic silver nanoparticles by cacumen platycladi extract: synthesis, formation mechanism, and antibacterial activity Ind. Eng. Chem. Res. 2011, 15, 9095
50. Liu, H.; Huang, J.; Sun, D.; Lin, L.; Li, X.; Zhang, Z.; Li, Q. Production of silver nanoparticles in a continuous stirred tank reactor based on plant-mediated biosynthesis: flow behaviors and RTD prediction by CFD simulation Ind. Eng. Chem. Res. 2013, 52, 2280