화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korea Polymer Journal, Vol.9, No.4, 185-196, August, 2001
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Self-Assembly of Triblock Copolymers in Melts and Solutions
Seung Hyun Kim, and Woo Ho Jo†
  • Hyperstructured Organic materials Research Center, and School of Materials Science and Engineering, Seoul National University, Seoul 151-742, Korea
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The self-assembly of block copolymers can lead to a variety of ordered structures on a nanometer scale. In this article, the self-assembling behaviors of triblock copolymers in the melt and the selective solvent are described with the results obtained from the computer simulations. With the advances of computing power, computer simulations using molecular dynamics and Monte Carlo techniques make it possible to study very complicated phenomena observed in the self-assembly of triblock copolymer. Taking full advantage of the computer simulation based on well-defined model, the effects of various structural and thermodynamic parameters such as the copolymer composition, the block sequence, the pairwise interaction energies, and temperature on the self-assembly are discussed in some detail. Some simulation results are compared with experimental ones and analyzed by comparing them with the theoretical treatment.
  1. Webber SE, Munk P, Tuzar Z, Solvents Self-Organization Polym., Kluwer Academic Publishers, Dordrecht (1996)
  2. Hamley IW, The Physics of Block Copolymers, Oxford University Press, London (1998)
  3. Okano T, Controlled Release and Applications in Biomedical Engineering, Academic Press, San Diego (1998)
  4. Mogi Y, Kotsuji H, Kaneko Y, Mori K, Matsushita Y, Noda I, Macromolecules, 25, 5408 (1992) 
  5. Mogi Y, Nomura M, Kotsuji H, Ohnishi K, Matsushita Y, Noda I, Macromolecules, 27(23), 6755 (1994) 
  6. Auschra C, Stadler R, Macromolecules, 26, 2171 (1993) 
  7. Stadler R, Auschra C, Beckmann J, Krappe U, Voigtmartin I, Leibler L, Macromolecules, 28(9), 3080 (1995) 
  8. Krappe U, Stadler R, Voigtmartin I, Macromolecules, 28(13), 4558 (1995) 
  9. Breiner U, Krappe U, Stadler R, Macromol. Rapid Commun., 17, 567 (1996) 
  10. Breiner U, Krapper U, Abetz V, Stadler R, Macromol. Chem. Phys., 198, 1051 (1997) 
  11. Abetz V, Stadler R, Macromol. Symp., 113, 19 (1997)
  12. Alexandridis P, Holzwarth JF, Hatton TA, Macromolecules, 27(9), 2414 (1994) 
  13. Nguyenmisra M, Mattice WL, Macromolecules, 28(5), 1444 (1995) 
  14. Yang YW, Yang Z, Zhou ZK, Attwood D, Booth C, Macromolecules, 29(2), 670 (1996) 
  15. Zhou ZK, Chu B, Nace VM, Yang YW, Booth C, Macromolecules, 29(10), 3663 (1996) 
  16. Quintana JR, Janez MD, Katime I, Langmuir, 13(10), 2640 (1997) 
  17. Nolan SL, Phillips RJ, Cotts PM, Dungan SR, J. Colloid Interface Sci., 191(2), 291 (1997) 
  18. Quintana JR, Diaz E, Katime I, Langmuir, 14(7), 1586 (1998) 
  19. Liu TB, Zhou ZK, Wu CH, Nace VM, Chu B, J. Phys. Chem. B, 102(16), 2875 (1998) 
  20. Booth C, Attwood D, Macromol. Rapid Commun., 21, 501 (2000) 
  21. Ko MJ, Kim SH, Jo WH, Macromol. Theory Simul., 10, 381 (2001) 
  22. Ko MJ, Kim SH, Jo WH, Macromolecules, accepted for publication.
  23. Ko MJ, Kim SH, Jo WH, Macromol. Theory Simul., submitted for publication.
  24. Kim SH, Jo WH, Macromolecules, in press.
  25. Kim SH, Jo WH, Macromolecules, submitted for publication.
  26. Larson RG, Macromolecules, 27(15), 4198 (1994) 
  27. Pan XH, Shaffer JS, Macromolecules, 29(12), 4453 (1996) 
  28. Pakula T, Karatasos K, Anastasiadis SH, Fytas G, Macromolecules, 30, 8364 (1997)
  29. Hoffmann A, Sommer JU, Blumen A, J. Chem. Phys., 107(18), 7559 (1997) 
  30. Kremer K, Grest GS, J. Chem. Phys., 92, 5057 (1990) 
  31. Murat M, Grest GS, Kremer K, Macromolecules, 32(3), 595 (1999) 
  32. Binder K, Monte Carlo and Molecular Dynamics Simulations in Polymer Science, Oxford University Press, New York (1995)
  33. Matsen MW, J. Chem. Phys., 108(2), 785 (1998) 
  34. Phan S, Fredrickson GH, Macromolecules, 31(1), 59 (1998) 
  35. Nelson PH, Rutledge GC, Hatton TA, J. Chem. Phys., 107(24), 10777 (1997) 
  36. Viduna D, Milchev A, Binder K, Theory Simul., 7, 649 (1998)
  37. Millchev A, Bhattacharya A, Binder K, Metarre, 34, 1881 (1992)
  38. Allen MD, Tildesley DJ, Tildesley, in Computer Simulation of Liquids, Clarendon, Oxford (1989)
  39. Frenkel D, Smit B, Smit, in Understanding Molecular Simulation, Academic Press, New York (1996)
  40. Care CM, Dalby T, Eur. Lett., 45, 38 (1999) 
  41. Attwood D, Florence AT, Their Chemistry, Pharmacy and Biology, Chapman and Hall, London (1983)
  42. Vongottberg FK, Smith KA, Hatton TA, J. Chem. Phys., 106(23), 9850 (1997) 
  43. Floriano MA, Caponetti E, Panagiotopoulos AZ, Langmuir, 15(9), 3143 (1999) 
  44. Ferrenberg AM, Swendsen RH, Phys. Rev. Lett., 61, 2635 (1988) 
  45. Ferrenberg AM, Swendsen RH, Phys. Rev. Lett., 63, 1195 (1989)