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Component segmental mobilities in an athermal polymer blend: Quasielastic incoherent neutron scattering versus simulation

J. Chem. Phys. 112, 8687 (2000); doi:10.1063/1.481471

Issue Date: 15 May 2000

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M. Doxastakis
Department of Chemical Engineering, University of Patras, 26500 Patras, Greece
Institute of Chemical Engineering and High Temperature Chemical Processes, P.O. Box 1414, 26500 Patras, Greece


M. Kitsiou
Department of Chemistry, University of Athens, 15771 Athens, Greece

G. Fytas
FORTH-Institute of Electronic Structure and Laser, P.O. Box 1527, Heraklion Crete, Greece
MPI für Polymerforschung, Postfach 3148, 55021 Mainz, Germany


D. N. Theodorou
Department of Chemical Engineering, University of Patras, 26500 Patras, Greece
Institute of Chemical Engineering and High Temperature Chemical Processes, P.O. Box 1414, 26500 Patras, Greece


N. Hadjichristidis
FORTH-Institute of Electronic Structure and Laser, P.O. Box 1527, Heraklion Crete, Greece
Department of Chemistry, University of Athens, 15771 Athens, Greece


G. Meier
MPI für Polymerforschung, Postfach 3148, 55021 Mainz, Germany

B. Frick
Institut Laue Langevin, BP 156X, F-38042 Grenoble, France
The local dynamics of the miscible blend of cis-1,4 polyisoprene (PI) (70% by weight) with 1,2 polybutadiene (PVE) (30% by weight) is studied. Quasielastic incoherent neutron scattering (QENS) experiments have provided the dynamic structure factor for each component in the blend far above the glass transition temperature. Molecular dynamics simulations on the same system have given segmental relaxation functions in good agreement with the experiments. Both methods reveal differences in the mobilities of each component, even at high temperatures, emphasizing intramolecular factors. Remarkably, the segmental relaxation of the PVE component in the PI/PVE blend rich in PI resembles that of PI and not of the pure PVE. ©2000 American Institute of Physics.
History: Received 30 November 1999; accepted 25 February 2000
Permalink: http://link.aip.org/link/?JCPSA6/112/8687/1
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KEYWORDS and PACS

Keywords
PACS
  • 61.25.Hq
    Structure of solids and liquids; crystallography Studies of specific liquid structures Macromolecular and polymer solutions; polymer melts; swelling
  • 61.20.Ja
    Structure of solids and liquids; crystallography Structure of liquids Computer simulation of liquid structure
  • 64.70.Pf
    Equations of state, phase equilibria, and phase transitions Specific phase transitions Glass transitions
  • YEAR: 2000

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (23)

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  1. S. K. Kumar, R. H. Colby, S. H. Anastasiadis, and G. Fytas, J. Chem. Phys. 105, 3777 (1996);
  2. S. Kamath, R. H. Colby, S. K. Kumar, K. Karatasos, G. Floudas, G. Fytas, and J. E. L. Roovers, 111, 6121 (1999).
  3. I. Bahar, B. Erman, G. Fytas, and W. Steffen, Macromolecules 27, 5200 (1994).
  4. D. W. Tomlin and C. M. Roland, Macromolecules 25, 2994 (1992).
  5. (a) J. Kanetakis, G. Fytas, F. Kremer, and T. Pakula, Macromolecules 25, 3484 (1992);
  6. (b) A. Alegria, J. Colmenero, K. L. Ngai, and C. M. Roland, 27, 4486 (1994);
    (c) F. Alvarez, A. Alegria, and J. Colmenero, 30, 597 (1997);
    (d) S. Adams and D. B. Adolf, 32, 3136 (1999);
    (e) A. Arbe, A. Alegria, J. Colmenero, S. Hoffmann, L. Willner, and D. Richter, 32, 7572 (1999).
  7. J. Roovers and P. M. Toporowski, Macromolecules 25, 3454 (1992);
  8. B. H. Arendt, R. Krishnamoorti, J. A. Kornfield, and S. D. Smith, 30, 1127 (1997).
  9. G. Fytas, G. Meier, and D. Richter, J. Chem. Phys. 105, 1208 (1996).
  10. G. C. Chung, J. A. Kornfield, and S. D. Smith, Macromolecules 27, 5729 (1994);
  11. S. Saxen, D. Cizmeciyan, and J. A. Kornfield, Solid State Nucl. Magn. Reson. 12, 165 (1998).
  12. Y. Erukhimovich, A. R. Khokhlov, T. A. Vilgis, A. Ramzi, and F. Bone, Comput. Theor. Polym. Sci. 8, 133 (1998).
  13. G. Floudas, G. Fytas, T. Reisinger, and G. Wegner, J. Chem. Phys. 111, 9129 (1999).
  14. N. E. Moe and M. D. Ediger, Phys. Rev. E 59, 623 (1999).
  15. Molecular Simulations Inc., San Diego, CA.
  16. H. Sun, J. Comput. Chem. 15, 752 (1994);
  17. H. Sun, S. J. Mumby, J. R. Maple, and A. T. Hagler, J. Am. Chem. Soc. 116, 2978 (1994);
    H. Sun, Macromolecules 28, 701 (1995);
    26, 5924 (1994);
    H. Sun, S. J. Mumby, J. R. Maple, and A. T. Hagler, J. Phys. Chem. 99, 5873 (1995);
    102, 7338 (1998).
  18. M. Bee, Quasielastic Neutron Scattering (Adam Hilger, Bristol, 1988).
  19. J. Higgins and H. Benoit, Polymers and Neutron Scattering (Clarendon, Oxford, 1994).
  20. G. D. Smith, W. Paul, D. Y. Yoon, A. Zirkel, J. Hendricks, D. Richter, and H. Schober, J. Chem. Phys. 107, 4751 (1997).
  21. (a) F. Alvarez, J. Colmenero, J. Kanetakis, and G. Fytas, Phys. Rev. B 49, 14996 (1996);
  22. (b) M. Doxastakis et al. (unpublished).
  23. G. Fytas, A. Patkwoski, G. Meier, and Th. Dorfmüller, J. Chem. Phys. 80, 2214 (1982).
  24. J. Colmenero, A. Alegria, A. Arbe, and B. Frick, Phys. Rev. Lett. 69, 478 (1992).
  25. For PI similar deviation is apparent from Fig. 5 of Ref. 4(e).
  26. W. Kob, C. Donati, S. J. Plimpton, P. H. Hoole, and S. C. Glotzer, Phys. Rev. Lett. 79, 2827 (1997), and references therein.
  27. R. Zorn, Phys. Rev. B 55, 6249 (1997).
  28. The molecular weights used in the spectroscopic and QENS studies were different and may consequently affect concentration fluctuations in the athermal blend.
  29. F. Lauprêtre (personal communication).

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