Simulation of heterogeneous end-coupling reactions in polydisperse polymer blends

Journal of Chemical Physics

Volumn 135, Issue 20, 2011, Pages

  Guseva, Daria V ^a   Kudryavtsev, Yaroslav V ^b   Berezkin, Anatoly V ^c  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESIS   (Russian Federation)

^c MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOCATALYTIC; COPOLYMER BRUSHES; COPOLYMER CONCENTRATION; DIFFUSION CONTROL; DISSIPATIVE PARTICLE DYNAMICS SIMULATION; END GROUPS; FLAT INTERFACE; FUNCTIONALIZED; IMMISCIBLE POLYMER; INTERFACE STABILITIES; INTERFACIAL INSTABILITY; INTERFACIAL KINETIC; IRREVERSIBLE REACTIONS; KINETIC REGIME; LAMELLAR MICROSTRUCTURE; MAIN EFFECT; MEAN-FIELD COUPLING; MICROSTRUCTURE FORMATION; MONODISPERSE; POLYDISPERSE POLYMER BLENDS; POLYMER CHAINS; REACTIVE CHAINS; TWO LAYERS;

COPOLYMERS; FUNCTIONAL POLYMERS; KINETICS; MICROSTRUCTURE; POLYDISPERSITY; REACTION RATES;

POLYMER BLENDS;

EID: 82555188382     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3663614     Document Type: Article

References (63)

1. M. Takenaka and T. Hashimoto, Phys. Rev. E 48, R647 (1993); 10.1103/PhysRevE.48.R647
2. C. Huang and M. Olvera de la Cruz, Macromolecules 27, 4231 (1994); 10.1021/ma00093a026
3. P. Sollich and M. E. Cates, Phys. Rev. Lett. 80, 1365 (1998); 10.1103/PhysRevLett.80.1365
4. P. B. Warren, Phys. Rev. Lett. 80, 1369 (1998); 10.1103/PhysRevLett.80. 1369
5. P. B. Warren, Phys. Chem. Chem. Phys. 1, 2197 (1999); 10.1039/a809828j
6. N. Clarke, Eur. Phys. J. E 4, 327 (2001); 10.1007/s101890170115
7. P. Sollich, J. Phys.: Condens. Matter 14, R79 (2002); 10.1088/0953-8984/14/3/201 (Pubitemid 34140600)
8. I. Pagonabarraga and M. Cates, Macromolecules 36, 934 (2003); 10.1021/ma020690m
9. S. W. Sides and G. H. Fredrickson, J. Chem. Phys. 121, 4974 (2004); 10.1063/1.1776557
10. V. V. Yashin and A. C. Balazs, J. Chem. Phys. 121, 2833 (2004); 10.1063/1.1773131
11. G. A. Buxton and N. Clarke, Macromolecules 38, 8929 (2005); 10.1021/ma051136q (Pubitemid 41527945)
12. D. M. Cooke and A.-C. Shi, Macromolecules 39, 6661 (2006); 10.1021/ma060717s (Pubitemid 44555111)
13. M. W. Matsen, Eur. Phys. J. E 21, 199 (2006); 10.1140/epje/i2006-10060-x (Pubitemid 46190931)
14. Y. V. Kudryavtsev and E. N. Govorun, Eur. Phys. J. E 21, 263 (2006); 10.1140/epje/i2006-10067-3 (Pubitemid 46190936)
15. N. A. Lynd, M. A. Hillmyer, and M. W. Matsen, Macromolecules 41, 4531 (2008). 10.1021/ma800452y
16. H.-C. Kim, S.-M. Park, and W. D. Hinsberg, Chem. Rev. 110, 146 (2010). 10.1021/cr900159v
17. V. Abetz and P. F. W. Simon, Adv. Polym. Sci. 189, 125 (2005). 10.1007/b137234
18. A. J. Meuler, M. A. Hillmyer, and F. S. Bates, Macromolecules 42, 7221 (2009). 10.1021/ma9009593
19. N. A. Lynd, A. J. Meuler, and M. A. Hillmyer, Prog. Polym. Sci. 33, 875 (2008). 10.1016/j.progpolymsci.2008.07.003
20. A. J. Meuler, C. J. Ellison, J. Qin, C. M. Evans, M. A. Hillmyer, and F. S. Bates, J. Chem. Phys. 130, 234903 (2009). 10.1063/1.3140205
21. J. M. Widin, A. K. Schmitt, K. Im, A. L. Scmitt, and M. K. Mahanthappa, Macromolecules 43, 7913 (2010). 10.1021/ma101140m
22. Y. Wang, X. Li, P. Tang, and Y. Yang, Physica B 406, 1132 (2011). 10.1016/j.physb.2010.12.066
23. L. Leibler, Prog. Polym. Sci. 30, 898 (2005). 10.1016/j.progpolymsci. 2005.06.007 (Pubitemid 41261390)
24. Polymer Blends, edited by, D. R. Paul, and, C. B. Bucknall, (Wiley, New York, 2000).
25. A. D. Litmanovich, N. A. Platé, and Y. V. Kudryavtsev, Prog. Polym. Sci. 27, 915 (2002). 10.1016/S0079-6700(02)00003-5 (Pubitemid 34449159)
26. C. W. Macosko, H. K. Jeon, and T. R. Hoye, Prog. Polym. Sci. 30, 939 (2005). 10.1016/j.progpolymsci.2005.06.003 (Pubitemid 41261392)
27. G. H. Fredrickson, Phys. Rev. Lett. 76, 3440 (1996). 10.1103/PhysRevLett. 76.3440
28. B. O'Shaughnessy and U. Sawhney, Phys. Rev. Lett. 76, 3444 (1996). 10.1103/PhysRevLett.76.3444
29. G. H. Fredrickson and S. T. Milner, Macromolecules 29, 7386 (1996). 10.1021/ma960820p
30. B. O'Shaughnessy and D. Vavylonis, Europhys. Lett. 45, 638 (1999). 10.1209/epl/i1999-00215-y
31. B. O'Shaughnessy and D. Vavylonis, Eur. Phys. J. E 1, 159 (2000). 10.1007/PL00014596
32. Ch. Yeung and K. A. Herrmann, Macromolecules 36, 229 (2003). 10.1021/ma021229x
33. M. Mller, Macromolecules 30, 6353 (1997). 10.1021/ma9619086
34. Y. Yang and K. Char, Macromol. Theory Simul. 10, 565 (2001). 10.1002/1521-3919(20010701)10:6565::AID-MATS5653.0.CO;2-4
35. A. John, J. Nagel, and G. Heinrich, Macromol. Theory Simul. 16, 430 (2007). 10.1002/mats.200600087 (Pubitemid 47252190)
36. M. H. Cheng, A. C. Balazs, Ch. Yeung, and V. V Ginzburg, J. Chem. Phys. 118, 9044 (2003). 10.1063/1.1566942
37. A. V. Berezkin and Y. V. Kudryavtsev, Macromolecules 44, 112 (2011). 10.1021/ma101285m
38. H. T. Oyama and T. Inoue, Macromolecules 34, 3331 (2001). 10.1021/ma001672c (Pubitemid 34216955)
39. Z. Yin, C. Koulic, C. Pagnoulle, and R. Jérme, Langmuir 19, 453 (2003). 10.1021/la020614c
40. S. E. Harton, F. A. Stevie, R. J. Spontak, T. Koga, M. H. Rafailovich, J. C. Sokolov, and H. Ade, Polymer 46, 10173 (2005). 10.1016/j.polymer.2005.07.085 (Pubitemid 41455248)
41. B. J. Kim, H. Kang, K. Char, K. Katsov, G. H. Fredrickson, and E. J. Kramer, Macromolecules 38, 6106 (2005). 10.1021/ma047378s (Pubitemid 41048623)
42. B. J. Kim, G. H. Fredrickson, and E. J. Kramer, Macromolecules 40, 3686 (2007). 10.1021/ma0611218 (Pubitemid 46841928)
43. C. Chi, Y. T. Hu, and A. Lips, Macromolecules 40, 6665 (2007). 10.1021/ma070015i (Pubitemid 47474024)
44. S. P. Lyu, J. J. Cernohous, F. S. Bates, and C. W. Macosko, Macromolecules 32, 106 (1999). 10.1021/ma9810767
45. J. Zhang, T. P. Lodge, and C. W. Macosko, Macromolecules 38, 6586 (2005). 10.1021/ma050530l (Pubitemid 41118720)
46. C. A. Orr, J. J. Cernohous, P. Guegan, A. Hirao, H. K. Jeon, and C. W. Macosko, Polymer 42, 8171 (2001). 10.1016/S0032-3861(01)00329-9 (Pubitemid 32566423)
47. H. T. Oyama, T. Ougizawa, T. Inoue, M. Weber, and K. Tamaru, Macromolecules 34, 7017 (2001). 10.1021/ma010668d (Pubitemid 34217046)
48. P. J. Hoogerbrugge and J. M. V. A. Koelman, Europhys. Lett. 19, 155 (1992). 10.1209/0295-5075/19/3/001
49. J. M. V. A. Koelman and P. J. Hoogerbrugge, Europhys. Lett. 21, 363 (1993). 10.1209/0295-5075/21/3/018
50. P. Espanol and P. B. Warren, Europhys. Lett. 30, 191 (1995). 10.1209/0295-5075/30/4/001
51. R. D. Groot and P. B. Warren, J. Chem. Phys. 107, 4423 (1997). 10.1063/1.474784
52. R. D. Groot and T. J. Madden, J. Chem. Phys. 108, 8713 (1998). 10.1063/1.476300
53. A. V. Berezkin and P. G. Khalatur, DPDChem version 1.0, Max-Planck-Institut für Eisenforschung GmbH (Germany), Ulm University (Germany), 2009; see http://polymer.physik.uni-ulm.de/~khalatur/exchange/DPD- Chem/index.htm.
54. G. Besold, I. Vattulainen, M. Karttunen, and J. M. Polson, Phys. Rev. E 62, R7611 (2000). 10.1103/PhysRevE.62.R7611 (Pubitemid 32087974)
55. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
56. R. L. C. Akkermans, S. Toxvaerd, and W. J. Briels, J. Chem. Phys. 109, 2929 (1998). 10.1063/1.476845 (Pubitemid 128678187)
57. A. R. Khokhlov, A. V. Berezkin, and P. G. Khalatur, J. Polym. Sci., Part A-1 42, 5339 (2004). 10.1002/pola.20451
58. H. Liu, H. J. Qian, Y. Zhao, and Z. Y. Lu, J. Chem. Phys. 127, 144903 (2007). 10.1063/1.2790005 (Pubitemid 47569044)
59. A. V. Berezkin, M. A. Solovev, P. G. Khalatur, and A. R. Khokhlov, J. Chem. Phys. 121, 6011 (2004). 10.1063/1.1783874
60. A. N. Semenov, Sov. Phys. JETP 61, 733 (1985).
61. B. O'Shaughnessy, Macromol. Theory Simul. 4, 481 (1995). 10.1002/mats.1995.040040307
62. H. Y. Kim, U. Jeong, and J. K. Kim, Macromolecules 36, 1594 (2003). 10.1021/ma0257907
63. P. A. Bhadane, A. H. Tsou, J. Cheng, and B. D. Favis, Macromolecules 41, 7549 (2008). 10.1021/ma801390s