Molecular dynamics simulation of fractal aggregate diffusion

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 82, Issue 5, 2010, Pages

  Pranami, Gaurav ^a   Lamm, Monica H ^a   Vigil, R Dennis ^a  

^a Iowa State University of Science and Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BROWNIAN AGGREGATION; CONSTANT OF PROPORTIONALITY; DIFFUSION COEFFICIENTS; FINITE SIZE EFFECT; FRACTAL AGGREGATE; HYDRODYNAMIC RADIUS; INFINITE DILUTION; MOLECULAR DYNAMICS SIMULATIONS; PRIMARY PARTICLES; RADIUS OF GYRATION; SIMULATION BOXES;

AGGREGATES; DIFFUSION; FRACTAL DIMENSION; MOLECULAR DYNAMICS; PARTIAL DISCHARGES;

AGGLOMERATION;

EID: 78651375050     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.82.051402     Document Type: Article

References (42)

1. B. D. Chithrani, A. A. Ghazani, and W. C. W. Chan, Nano Lett. 6, 662 (2006). 10.1021/nl052396o
2. W. Shi, J. Wang, X. Fan, and H. Gao, Phys. Rev. E 78, 061914 (2008). 10.1103/PhysRevE.78.061914
3. P. K. Jain, K. S. Lee, I. H. El-Sayed, and M. A. El-Sayed, J. Phys. Chem. B 110, 7238 (2006). 10.1021/jp057170o
4. M. Smoluchowski, Phys. Z. 17, 557 (1916).
5. M. Smoluchowski, Z. Phys. Chem. 92, 129 (1917).
6. R. Botet and R. Jullien, Aggregation and Fractal Aggregates (World Scientific, Singapore, 1987).
7. M. Y. Lin, H. M. Lindsay, D. A. Weitz, R. Klein, R. C. Ball, and P. Meakin, J. Phys.: Condens. Matter 2, 3093 (1990). 10.1088/0953-8984/2/13/019
8. M. Y. Lin, H. M. Lindsay, D. A. Weitz, R. C. Ball, R. Klein, and P. Meakin, Phys. Rev. A 41, 2005 (1990). 10.1103/PhysRevA.41.2005
9. B. Dünweg and K. Kremer, J. Chem. Phys. 99, 6983 (1993). 10.1063/1.465445
10. M. Rubenstein and R. H. Colby, Polymer Physics (Oxford University, New York, 2006).
11. M. Lattuada, H. Wu, and M. Morbidelli, J. Colloid Interface Sci. 268, 96 (2003). 10.1016/j.jcis.2003.07.028
12. G. M. Wang and C. M. Sorensen, Phys. Rev. E 60, 3036 (1999). 10.1103/PhysRevE.60.3036
13. P. N. Pusey, J. G. Rarity, R. Klein, and D. A. Weitz, Phys. Rev. Lett. 59, 2122 (1987). 10.1103/PhysRevLett.59.2122
14. H. M. Lindsay, R. Klein, D. A. Weitz, M. Y. Lin, and P. Meakin, Phys. Rev. A 38, 2614 (1988). 10.1103/PhysRevA.38.2614
15. M. Lattuada, H. Wu, and M. Morbidelli, Langmuir 20, 5630 (2004). 10.1021/la049530p
16. U. Kätzel, M. Vorbau, M. Stintz, T. Gottschalk-Gaudig, and H. Barthel, Part. Part. Syst. Charact. 25, 19 (2008). 10.1002/ppsc.200700005
17. P. Wiltzius, Phys. Rev. Lett. 58, 710 (1987). 10.1103/PhysRevLett.58.710
18. W. van Saarloos, Physica A 147, 280 (1987). 10.1016/0378-4371(87)90111-7
19. P. Tandon and D. E. Rosner, Ind. Eng. Chem. Res. 34, 3265 (1995). 10.1021/ie00037a013
20. S. Veerapaneni and M. R. Wiesner, J. Colloid Interface Sci. 177, 45 (1996). 10.1006/jcis.1996.0005
21. J. Riseman and J. G. Kirkwood, J. Chem. Phys. 18, 512 (1950). 10.1063/1.1747672
22. Z. Y. Chen, P. Meakin, and J. M. Deutch, Phys. Rev. Lett. 59, 2121 (1987). 10.1103/PhysRevLett.59.2121
23. W. Hess, H. L. Frisch, and R. Klein, Z. Phys. B: Condens. Matter 64, 65 (1986). 10.1007/BF01313690
24. S. N. Rogak and R. C. Flagan, J. Colloid Interface Sci. 134, 206 (1990). 10.1016/0021-9797(90)90268-S
25. A. V. Filippov, J. Colloid Interface Sci. 229, 184 (2000). 10.1006/jcis.2000.6981
26. A. Moskal and A. C. Payatakes, J. Aerosol Sci. 37, 1081 (2006). 10.1016/j.jaerosci.2005.10.005
27. D. M. Heyes, M. J. Nuevo, and J. J. Morales, Mol. Phys. 88, 1503 (1996). 10.1080/00268979609484532
28. D. M. Heyes, M. J. Nuevo, and J. J. Morales, J. Chem. Soc., Faraday Trans. 94, 1625 (1998). 10.1039/a800877i
29. D. M. Heyes, M. J. Nuevo, and J. J. Morales, Mol. Phys. 93, 985 (1998). 10.1080/00268979809482285
30. D. M. Heyes, M. J. Nuevo, J. J. Morales, and A. C. Branka, J. Phys.: Condens. Matter 10, 10159 (1998). 10.1088/0953-8984/10/45/005
31. D. M. Heyes and A. C. Branka, Mol. Phys. 96, 1757 (1999). 10.1080/00268979909483119
32. R. Thouy and R. Jullien, J. Phys. A 27, 2953 (1994). 10.1088/0305-4470/ 27/9/012
33. R. Thouy and R. Jullien, J. Phys. I 6, 1365 (1996). 10.1051/jp1:1996141
34. D. Fry, A. Mohammad, A. Chakrabarti, and C. M. Sorensen, Langmuir 20, 7871 (2004). 10.1021/la0494369
35. See supplementary material at http://link.aps.org/supplemental/10.1103/ PhysRevE.82.051402 for frequency distributions of the shape anisotropy parameters for fractal dimensions 2.1, 2.3, and 2.5.
36. S. Plimpton, J. Comput. Phys. 117, 1 (1995). 10.1006/jcph.1995.1039
37. http://lammps.sandia.gov/
38. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, 2nd ed. (Academic Press, San Diego, 2002).
39. J. M. Haile, Molecular Dynamics Simulation: Elementary Methods (John Wiley & Sons, New York, 1992).
40. I. C. Yeh and G. Hummer, J. Phys. Chem. B 108, 15873 (2004). 10.1021/jp0477147
41. B. Dünweg, J. Chem. Phys. 99, 6977 (1993). 10.1063/1.465444
42. M. Cappelezzo, C. A. Capellari, S. H. Pezzin, and L. A. F. Coelho, J. Chem. Phys. 126, 224516 (2007). 10.1063/1.2738063