Citation: LIU Guan-Feng, HUANG Jian-Hua. Monte Carlo Simulation on the Structures of a Nanoparticle/ Copolymer Mixed System[J]. Acta Physico-Chimica Sinica, ;2012, 28(02): 309-314. doi: 10.3866/PKU.WHXB201111211 shu

Monte Carlo Simulation on the Structures of a Nanoparticle/ Copolymer Mixed System

1.
Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou 310018, P. R. China

Received Date: 29 August 2011
Available Online: 21 November 2011
Fund Project: 国家自然科学基金(21171145) (21171145)浙江省自然科学基金(Y4110422)资助项目 (Y4110422)

The structures of a nanoparticle/copolymer mixed system were studied using lattice dynamic Monte Carlo simulations. Each copolymer chain consisted of one A bead and three B beads, and the amphiphilic property of the A₁B₃ chains was represented by an attraction between B-B beads. Nanoparticles were hydrophobic with an attraction amongst themselves. By properly choosing the attraction between the nanoparticle and the B beads, we observe two interesting structures: a nanoparticle/ A₁B₃ chain core-shell structure and an A₁B₃ vesicle with nanoparticles dispersed in the hydrophobic shell. The evolutions of these two structures were investigated. Our results show that the A₁B₃ vesicle acts as a template for the formation of the nanoparticle-dispersed vesicle.
- Dynamic Monte Carlo simulation,
- Copolymer,
- Nanoparticle,
- Vesicle
1. [1]
  (1) Lipowsky, R. Nature 1991, 349, 475.
2. [2]
  (2) Discher, B. M.;Won, Y. Y.; Ege, D. S.; Lee, J. C. M.; Bates, F. S.; Discher, D. E.; Hammer, D. A. Science 1999, 284, 1143.
3. [3]
  (3) Zhang, L. F.; Eisenberg, A. J. Am. Chem. Soc. 1996, 118, 3168.
4. [4]
  (4) Zhu, J. T.; Jiang, Y.; Liang, H. J.; Jiang,W. J. Phys. Chem. B 2005, 109, 8619.
5. [5]
  (5) Yang, Z. D.; Yuan, J. J.; Chen, S. Y. J. Funct. Poly. 2003, 16, 287. [杨子刚, 袁建军, 程时远. 功能高分子学报, 2003, 16, 287.]
6. [6]
  (6) Hubert, D. H.W.; Jung, M.; Frederik, P. M.; Bomans, P. H. H.; Meuldijk, J.; German, A. L. Adv. Mater. 2000, 12, 1286.
7. [7]
  (7) Hentze, H. P.; Raghavan, S. R.; Mckelvey, C. A.; Kaler, E.W. Langmuir 2003, 19, 1069.
8. [8]
  (8) Yeh, Y. Q.; Chen, B. C.; Lin, H. P.; Tang, C. Y. Langmuir 2006, 22, 6.
9. [9]
  (9) Li, L. Y.;Wang, J. G.; Sun, P. C.; Liu, X. H.; Ding, D. T.; Chen, T. H. Acta Phys. -Chim. Sin. 2008, 24, 359. [李丽颖, 王金桂, 孙平川, 刘晓航, 丁大同, 陈铁红. 物理化学学报, 2008, 24, 359.]
10. [10]
  (10) Bernardi, C.; Dra , V.; Bernardo, F. L.; Girardi, D.; Klein, A. N. J. Mater. Sci. 2008, 43, 469.
11. [11]
  (11) Binder,W. H.; Sachsenhofer, R.; Farnik, D.; Blaas, D. Phys. Chem. Chem. Phys. 2007, 9, 6435.
12. [12]
  (12) Binder,W. H.; Sachsenhofer, R. Macromol. Rapid Commun. 2008, 29, 1097.
13. [13]
  (13) Lecommandoux, S.; Sandre, O.; Chécot, F.; Perzynski, R. Prog. Solid State Chem. 2006, 34, 171.
14. [14]
  (14) Kang, Y. J.; Taton, T. A. Angew Chem. Int. Edit. 2005, 44, 409.
15. [15]
  (15) Mu, D.; Zhou, Y. H. Acta Phys. -Chim. Sin. 2011, 27, 374. [牟丹, 周亦含. 物理化学学报, 2011, 27, 374.]
16. [16]
  (16) Mueller,W.; Koynov, K.; Fischer, K.; Hartmann, S.; Pierrat, S.; Basche, T.; Maskos, M. Macromolecules 2009, 42, 357.
17. [17]
  (17) Li, X. L.; Ji, J.;Wang, X. L.;Wang, Y. X.; Shen, J. C. Macromol. Rapid Commun. 2007, 28, 660.
18. [18]
  (18) Noguchi, H.; Takasu, M. Phys. Rev. E 2001, 64, 041913.
19. [19]
  (19) Yamamoto, S.; Maruyama, Y.; Hyodo, S. J. Chem. Phys. 2002, 116, 5842.
20. [20]
  (20) Marrink, S. J.; Mark, A. E. J. Am. Chem. Soc. 2003, 125, 15233.
21. [21]
  (21) Vries, A. H.; Mark, A. E.; Marrink, S. J. J. Am. Chem. Soc. 2004, 126, 4488.
22. [22]
  (22) Huang, J. H.;Wang, Y.; Qian, C. J. J. Chem. Phys. 2009, 13, 234902.
23. [23]
  (23) Thompson, R. B.; Ginzburg, V. V.; Matsen, M.W.; Balazs, A. C. Science 2001, 292, 2469.
24. [24]
  (24) Wang, Q.; Nealey, P. F.; Pablo, J. J. J. Chem. Phys. 2003, 118, 11278.
25. [25]
  (25) Schultz, A. J.; Hall, C. K.; Genzer, J. Macromolecules 2005, 38, 3007.
26. [26]
  (26) Ginzburg, V. V.; Qiu, F.; Balazs, A. C. Polymer 2002, 43, 461.
27. [27]
  (27) Liu, D. H.; Zhong, C. L. Macromol. Rapid Commun. 2006, 27, 458.
28. [28]
  (28) He, L.; Zhang, L.; Liang, H. J. J. Phys. Chem. B 2008, 112, 4194.
29. [29]
  (29) Carmesin, I.; Kremer, K. Macromolecules 1988, 21, 2819.
30. [30]
  (30) Ji, S. C.; Ding, J. D. Langmuir 2006, 22, 553.
31. [31]
  (31) Romiszowski, P.; Sikorski, A. Macromol. Symp. 2008, 267, 105.
32. [32]
  (32) Zehl, T.;Wahab, M.; Mogel, H. J.; Schiller, P. Langmuir 2006, 22, 2523.
33. [33]
  (33) Huh, J.; Ginzburg, V. V.; Balazs, A. C. Macromolecules 2000, 33, 8085.
34. [34]
  (34) Mannng, G. S. Biophys. J. 2006, 91, 3607.
35. [35]
  (35) Huang, J. H.; Sun, D. C. J. Colloid nterface Sci. 2007, 315, 355.
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沈阳化工大学材料科学与工程学院沈阳 110142