Nanoparticle dispersion and aggregation in polymer nanocomposites: Insights from molecular dynamics simulation

Langmuir

Volumn 27, Issue 12, 2011, Pages 7926-7933

  Liu, Jun ^a   Gao, Yangyang ^a   Cao, Dapeng ^a   Zhang, Liqun ^a   Guo, Zhanhu ^b  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b Lamar University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AGGREGATION MECHANISM; AGGREGATION PROCESS; CHEMICAL BONDINGS; COARSE-GRAINED MOLECULAR DYNAMICS; COARSENING PROCESS; DISPERSION STATE; EXPERIMENTAL TECHNIQUES; FILLER DISPERSION; FILLER SURFACES; GRAFTED POLYMERS; HIGH FILLER; INTERFACIAL INTERACTION; INTERPARTICLE DISTANCES; MOLECULAR DYNAMICS SIMULATIONS; NANO-PARTICLE DISPERSIONS; POLYMER CHAINS; POLYMER NANOCOMPOSITE; POLYMER-FILLER- INTERACTION; SPATIAL ORGANIZATION;

AGGLOMERATION; CHEMICAL BONDS; COARSENING; FILLED POLYMERS; FILLERS; GRAFTING (CHEMICAL); MOLECULAR DYNAMICS; NANOCOMPOSITES; NANOPARTICLES; POLYMER MATRIX; POLYMER MELTS;

DISPERSIONS;

EID: 79959235801     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la201073m     Document Type: Article

References (40)

1. Paul, D. R.; Robeson, L. M. Polymer 2008, 49, 3187
2. Mackay, M. E.; Tuteja, A.; Duxbury, P. M.; Hawker, C. J.; Van Horn, B.; Guan, Z. B.; Chen, G. H.; Krishnan, R. S. Science 2006, 311, 1740
3. Tuteja, A.; Duxbury, P. M.; Mackay, M. E. Phys. Rev. Lett. 2008, 100, 077801
4. Pomposo, J. A.; de Luzuriaga, A. R.; Etxeberria, A.; Rodriguez, J. Phys. Chem. Chem. Phys. 2008, 10, 650
5. Krishnamoorti, R. MRS Bull. 2007, 32, 341
6. Khare, H. S.; Burris, D. L. Polymer 2010, 51, 719
7. Hooper, J. B.; Schweizer, K. S. Macromolecules 2005, 38, 8858
8. Ganesan, V.; Ellison, C. J.; Pryamitsyn, V. Soft Matter 2010, 6, 4010
9. Hall, L. M.; Jayaraman, A.; Schweizer, K. S. Curr. Opin. Solid State Mater. Sci. 2010, 14, 38
10. Starr, F. W.; Douglas, J. F.; Glotzer, S. C. J. Chem. Phys. 2003, 119, 1777
11. Fermeglia, M.; Pricl, S. Multiscale Molecular Modelling of Dispersion of Nanoparticles in Polymer Systems of Industrial Interest. Iutam Symposium on Modelling Nanomaterials and Nanosystems; Springer: Dordrecht, The Netherlands, 2009; Vol. 13, p 261.
12. Lan, Q.; Francis, L. F.; Bates, F. S. J. Polym. Sci., Part B: Polym. Phys. 2007, 45, 2284
13. Wang, X. R.; Foltz, V. J.; Rackaitis, M.; Bohm, G. G. A. Polymer 2008, 49, 5683
14. Xu, C.; Ohno, K.; Ladmiral, V.; Composto, R. J. Polymer 2008, 49, 3568
15. Harton, S. E.; Kumar, S. K. J. Polym. Sci., Part B, Polym. Phys. 2008, 46, 351
16. Xu, J. J.; Qiu, F.; Zhang, H. D.; Yang, Y. L. J. Polym. Sci., Part B, Polym. Phys. 2006, 44, 2811
17. Smith, G. D.; Bedrov, D. Langmuir 2009, 25, 11239
18. Jayaraman, A.; Schweizer, K. S. Macromolecules 2008, 41, 9430
19. Jayaraman, A.; Schweizer, K. S. Macromolecules 2009, 42, 8423
20. Jayaraman, A.; Schweizer, K. S. Mol. Simul. 2009, 35, 835
21. Nair, N.; Jayaraman, A. Macromolecules 2010, 43, 8251
22. Mihara, S.; Datta, R. N.; Noordermeer, J. W. M. Rubber Chem. Technol. 2009, 82, 524
23. Bohm, G. G. A.; Nguyen, M. N. J. Appl. Polym. Sci. 1995, 55, 1041
24. Gerspacher, M.; Nikiel, L.; Yang, H. H.; O'Farrell, C. P.; Schwartz, G. A. Kautsch. Gummi Kunstst. 2002, 55, 596
25. Lin, C. J.; Hergenrother, W. L.; Alexanian, E.; Bohm, G. G. A. Rubber Chem. Technol. 2002, 75, 865
26. Lin, C. J.; Hogan, T. E.; Hergenrother, W. L. Rubber Chem. Technol. 2004, 77, 90
27. Bohm, G. A.; Tomaszewski, W.; Cole, W.; Hogan, T. Polymer 2010, 51, 2057
28. Kalra, V.; Escobedo, F.; Yong Lak, J. J. Chem. Phys. 2010, 132, 024901
29. Filippone, G.; Romeo, G.; Acierno, D. Langmuir 2010, 26, 2714
30. Jia, X. L.; Listak, J.; Witherspoon, V.; Kalu, E. E.; Yang, X. P.; Bockstaller, M. R. Langmuir 2010, 26, 12190
31. Kiel, J. W.; Eberle, A. P. R.; Mackay, M. E. Phys. Rev. Lett. 2010, 105, 168701
32. Meli, L.; Green, P. F. ACS Nano 2008, 2, 1305
33. Hooper, J. B.; Schweizer, K. S. Macromolecules 2006, 39, 5133
34. Liu, J.; Cao, D. P.; Zhang, L. Q. J. Phys. Chem. C 2008, 112, 6653
35. Smith, J. S.; Bedrov, D.; Smith, G. D. Compos. Sci. Technol. 2003, 63, 1599
36. Allen, M. P.; Tildesley, J. Computer Simulation of Liquids; Oxford University Press: Oxford, U.K., 1987.
37. Desai, T.; Keblinski, P.; Kumar, S. K. J. Chem. Phys. 2005, 122, 134910
38. Plimpton, S. J. Comput. Phys. 1995, 117, 1
39. Liu, J.; Cao, D. P.; Zhang, L. Q.; Wang, W. C. Macromolecules 2009, 42, 2831
40. Goswami, M.; Sumpter, B. G. J. Chem. Phys. 2009, 130, 134910