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Modeling strategies for polyelectrolyte multilayers

  • J. J. CerdàEmail author
  • B. Qiao
  • Ch. Holm
Article

Abstract

The present article will give a short overview about the sparse attempts to model films made up by alternating layers of polyanions and polycations, called polyelectrolyte multilayers. First, we will review the current theoretical understanding of the field, followed by the description of the current modeling strategies,with a stress on pointing out their shortcomings. We then report some results of our our recent attempts to model the structure and dynamics of polyelectrolyte multilayers. We present two approaches: one deals with coarse-grained bead-spring models within a dielectric continuum solvent, and in the other attempt we try to infer the important microscopic interactions via a fully atomistic treatment of small oligomeric polyelectrolytes. We finally give an outlook and discuss possible extensions towards a more realistic modeling of polyelectrolyte multilayers.

Keywords

European Physical Journal Special Topic Polyelectrolyte Multilayers Molecular Dynamic Step Dewetting Process Bjerrum Length 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

References

  1. 1.
    J. Schmitt, G. Decher, G. Hong, Thin Solid Films 210/211, 831 (1992)CrossRefGoogle Scholar
  2. 2.
    G. Decher, Science 277, 1232 (1997)CrossRefGoogle Scholar
  3. 3.
    Y. Wang, A.S. Angelatos, F. Caruso, Chem. Mater. 20, 848 (2008)CrossRefGoogle Scholar
  4. 4.
    K. Ariga, J.P. Hill, Q. Ji, Phys. Chem. Chem. Phys. 9, 2319 (2007)CrossRefGoogle Scholar
  5. 5.
    V.K. Kamineni, Y.M. Lvov, T.A. Dobbins, Langmuir 23, 7423 (2007)CrossRefGoogle Scholar
  6. 6.
    D. Trau, R. Renneberg, Biosens. Bioelectron. 18, 1491 (2003)CrossRefGoogle Scholar
  7. 7.
    B. Thierry, F. Winnik, Y. Merhi, M. Tabrizian, J. Am. Chem. Soc. 125, 7494 (2003)CrossRefGoogle Scholar
  8. 8.
    R. Malaisamy, M. Bruening, Langmuir 21, 10587 (2005)CrossRefGoogle Scholar
  9. 9.
    M.L. Bruening, D.M. Dotzauer, P. Jain, L. Ouyang, G.L. Baker, Langmuir 24, 7663 (2008)CrossRefGoogle Scholar
  10. 10.
    S. Datta, C. Cecil, D. Bhattacharyya, Ind. Eng. Chem. Res. 47, 4586 (2008)CrossRefGoogle Scholar
  11. 11.
    M. Kamande, K. Fletcher, M. Lowry, I. Warner, J. Sep. Sci. 28, 710 (2005)CrossRefGoogle Scholar
  12. 12.
    L. Jiang, et al., Chem. Phys. Chem. 6, 481 (2005)Google Scholar
  13. 13.
    A. Arsenault, et al., Langmuir 21, 499 (2005)CrossRefGoogle Scholar
  14. 14.
    K. Ray, R. Badugu, J.R. Lakowicz, Chem. Mater. 19, 5902 (2007)CrossRefGoogle Scholar
  15. 15.
    A. Khopade, N. Arulsudar, S. Khopade, J. Hartmann, Biomacromolecules 6, 229 (2005)CrossRefGoogle Scholar
  16. 16.
    J.A. Lichter, M.F. Rubner, Langmuir (2009)Google Scholar
  17. 17.
    P. Hammond, Curr. Opin. Colloid Interface Sci. 4, 430 (2000)CrossRefGoogle Scholar
  18. 18.
    M. Schönhoff, Curr. Opinion Coll. Interface Sci. 8, 86 (2003)CrossRefGoogle Scholar
  19. 19.
    M. Schonhoff, J. Phys.: Condens. Matter 15, R1781 (2003)ADSCrossRefGoogle Scholar
  20. 20.
    R. Messina, C. Holm, K. Kremer, J. Polymer Sci. Part B: Polymer Phys. 42, 3557 (2004)CrossRefGoogle Scholar
  21. 21.
    R. von Klitzing, J. Wong, W. Jäger, R. Steitz, Curr. Opinion Coll. Interface Sci. 9, 158 (2004)CrossRefGoogle Scholar
  22. 22.
    A.V. Dobrynin, Curr. Opin. Colloid Interface Sci. 13, 376 (2008)CrossRefGoogle Scholar
  23. 23.
    R. Messina, J. Phys.: Condens. Matter 21, 113102 (18pp) (2009)ADSCrossRefGoogle Scholar
  24. 24.
    K. Glinel, et al., Coll. Surf. A: Physicochem. Eng. Aspects 303, 3 (2007)CrossRefGoogle Scholar
  25. 25.
    S.A. Sukhishvili, Curr. Opin. Colloid Interface Sci. 10, 37 (2005)CrossRefGoogle Scholar
  26. 26.
    M. Schönhoff, et al., Coll. Surf. A: Physicochem. Eng. Aspects 303, 14 (2007)CrossRefGoogle Scholar
  27. 27.
    C. Picart, Curr. Med. Chem. 15, 685 (2008)CrossRefGoogle Scholar
  28. 28.
    S.A. Sukhishvili, E. Kharlampieva, V. Izumrudov, Macromolecules 39, 8873 (2006)ADSCrossRefGoogle Scholar
  29. 29.
    R.V. Klitzing, Phys. Chem. Chem. Phys. 8, 5012 (2006)CrossRefGoogle Scholar
  30. 30.
    J.A. Jaber, J.B. Schlenoff, Curr. Opin. Colloid Interface Sci. 11, 324 (2006)CrossRefGoogle Scholar
  31. 31.
    D.T. Haynie, et al., Biomacromolecules 6, 2895 (2005)CrossRefGoogle Scholar
  32. 32.
    D.T. Haynie, W. Zhao, J. Nanosci. Nanotechnol. 9, 3562 (2009)Google Scholar
  33. 33.
    R. Netz, J. Joanny, Macromolecules 32, 9013 (1999)ADSCrossRefGoogle Scholar
  34. 34.
    S. Park, M. Rubner, A. Mayes, Langmuir 18, 9600 (2002)CrossRefGoogle Scholar
  35. 35.
    M. Castelnovo, J.F. Joanny, Langmuir 16, 7524 (2000)CrossRefGoogle Scholar
  36. 36.
    A. Shafir, D. Andelman, Eur. Phys. J. E Soft Matter 19, 155 (2006)CrossRefGoogle Scholar
  37. 37.
    Q. Wang, J. Phys. Chem. B 110, 5825 (2006)CrossRefGoogle Scholar
  38. 38.
    N. Hoda, R.G. Larson, J. Phys. Chem. B 113, 4232 (2009)CrossRefGoogle Scholar
  39. 39.
    Q. Wang, Soft Matter 5, 413424 (2009)Google Scholar
  40. 40.
    W. Zhao, B. Zheng, D.T. Haynie, Langmuir 22, 6668 (2006)CrossRefGoogle Scholar
  41. 41.
    A.A. Chialvo, J.M. Simonson, J. Phys. Chem. C 112, 19521 (2008)CrossRefGoogle Scholar
  42. 42.
    D. Horinek, et al., Proc. Natl. Acad. Sci. 105, 2842 (2008)ADSCrossRefGoogle Scholar
  43. 43.
    G. Reddy, R. Chang, A. Yethiraj, J. Chem. Theory Comput. 2, 630 (2006)CrossRefGoogle Scholar
  44. 44.
    R. Messina, C. Holm, K. Kremer, Langmuir 19, 4473 (2003)CrossRefGoogle Scholar
  45. 45.
    R. Messina, J. Chem. Phys. 119, 8133 (2003)ADSCrossRefGoogle Scholar
  46. 46.
    R. Messina, Macromolecules 37, 621 (2004)MathSciNetADSCrossRefGoogle Scholar
  47. 47.
    V. Panchagnula, J. Jeon, A.V. Dobrynin, Phys. Rev. Lett. 93, 037801 (2004)ADSCrossRefGoogle Scholar
  48. 48.
    R. Messina, Phys. Rev. E 70, 051802 (2004)MathSciNetADSCrossRefGoogle Scholar
  49. 49.
    B. Abu-Sharkh, J. Chem. Phys. 123, 114907 (2005)ADSCrossRefGoogle Scholar
  50. 50.
    P. Patel, J. Jeon, P. Mather, A. Dobrynin, Langmuir 21, 6113 (2005)CrossRefGoogle Scholar
  51. 51.
    V. Panchagnula, J. Jeon, J. Rusling, A. Dobrynin, Langmuir 21, 1118 (2005)CrossRefGoogle Scholar
  52. 52.
    J. Jeon, V. Panchagnula, J. Pan, A.V. Dobrynin, Langmuir 22, 4629 (2006)CrossRefGoogle Scholar
  53. 53.
    B.F. Abu-Sharkh, Polymer 47, 3674 (2006)CrossRefGoogle Scholar
  54. 54.
    P.A. Patel, J. Jeon, P.T. Mather, A.V. Dobrynin, Langmuir 22, 9994 (2006)CrossRefGoogle Scholar
  55. 55.
    J.B. Schlenoff, S.T. Dubas, Macromolecules 34, 592 (2001)ADSCrossRefGoogle Scholar
  56. 56.
    P. Lavalle, et al., J. Phys. Chem. B 108, 635 (2004)CrossRefGoogle Scholar
  57. 57.
    P. Kujawa, P. Moraille, J. Sanchez, A. Badia, F. Winnik, J. Am. Chem. Soc. 127, 9224 (2005)CrossRefGoogle Scholar
  58. 58.
    M. Salomäki, I.A. Vinokurov, J. Kankare, Langmuir 21, 11232 (2005)CrossRefGoogle Scholar
  59. 59.
    C. Porcel, et al., Langmuir 22, 4376 (2006)CrossRefGoogle Scholar
  60. 60.
    N. Laugel, et al., J. Phys. Chem. B 110, 19443 (2006)CrossRefGoogle Scholar
  61. 61.
    A. Guyomard, G. Muller, K. Glinel, Macromolecules 38, 5737 (2005)ADSCrossRefGoogle Scholar
  62. 62.
    D. Kovacevic, S. van der Burgh, A. de Keizer, M. Stuart, Langmuir 18, 5607 (2002)CrossRefGoogle Scholar
  63. 63.
    M. Gopinadhan, H. Ahrens, J.-U. Gunther, R. Steitz, C.A. Helm, Macromolecules 38, 5228 (2005)ADSCrossRefGoogle Scholar
  64. 64.
    G. Liu, J. Zhao, Q. Sun, G. Zhang, J. Phys. Chem. B 112, 3333 (2008)CrossRefGoogle Scholar
  65. 65.
    H. Riegler, F. Essler, Langmuir 18, 6694 (2002)CrossRefGoogle Scholar
  66. 66.
    O.M. Tanchak, et al., J. Chem. Phys. 129, 084901 (2008)ADSCrossRefGoogle Scholar
  67. 67.
    M. Kolasinska, P. Warszynski, Bioelectrochemistry 66, 65 (2005)CrossRefGoogle Scholar
  68. 68.
    C. Buron, et al., Coll. Surf. A: Physicochem. Eng. Aspects 305, 105 (2007)CrossRefGoogle Scholar
  69. 69.
    R. Steitz, W. Jaeger, R. v. Klitzing, Langmuir 17, 4471 (2001)CrossRefGoogle Scholar
  70. 70.
    B. Schoeler, G. Kumaraswamy, F. Caruso, Macromolecules 35, 889 (2002)ADSCrossRefGoogle Scholar
  71. 71.
    K. Glinel, A. Moussa, A.M. Jonas, A. Laschewsky, Langmuir 18, 1408 (2002)CrossRefGoogle Scholar
  72. 72.
    M. Salomäki, J. Kankare, Macromolecules 41, 4423 (2008)ADSCrossRefGoogle Scholar
  73. 73.
    A.E.E. Haitami, et al., Langmuir 25, 2282 (2009)CrossRefGoogle Scholar
  74. 74.
    M. Muller, et al., J. Adhes. 80, 521 (2004)CrossRefGoogle Scholar
  75. 75.
    M. Gopinadhan, et al., J. Phys. Chem. B 111, 8426 (2007)CrossRefGoogle Scholar
  76. 76.
    E. Kharlampieva, S. Sukhishvili, Langmuir 19, 1235 (2003)CrossRefGoogle Scholar
  77. 77.
    D. Kovacevic, S. van der Burgh, A. de Keizer, M.A. Cohen Stuart, J. Phys. Chem. B 107, 7998 (2003)CrossRefGoogle Scholar
  78. 78.
    C. Buron, et al., J. Coll. Interf. Sci. 314, 358 (2007)CrossRefGoogle Scholar
  79. 79.
    E. Kharlampieva, J.F. Ankner, M. Rubinstein, S.A. Sukhishvili, Phys. Rev. Lett. 100, 128303 (2008)ADSCrossRefGoogle Scholar
  80. 80.
    M. Elzbieciak, M. Kolasinska, P. Warszynski, Coll. Surf. A: Physicochem. Eng. Aspects 321, 258 (2008)CrossRefGoogle Scholar
  81. 81.
    J. Fu, et al., Langmuir 25, 672 (2009)CrossRefGoogle Scholar
  82. 82.
    J.D. Weeks, D. Chandler, H.C. Andersen, J. Chem. Phys. 54, 5237 (1971)ADSCrossRefGoogle Scholar
  83. 83.
    M. Deserno, C. Holm, J. Chem. Phys. 109, 7678 (1998)ADSCrossRefGoogle Scholar
  84. 84.
    M. Deserno, C. Holm, J. Chem. Phys. 109, 7694 (1998)ADSCrossRefGoogle Scholar
  85. 85.
    R.W. Hockney, J.W. Eastwood, Computer Simulations using Particles (McGraw-Hill, New York, 1981)Google Scholar
  86. 86.
    J.-M.Y. Carrillo, A.V. Dobrynin, Langmuir 23, 2472 (2007)CrossRefGoogle Scholar
  87. 87.
    H.J. Limbach, A. Arnold, B.A. Mann, C. Holm, Comp. Phys. Comm. 174, 704 (2006)ADSCrossRefGoogle Scholar
  88. 88.
    ESPResSo, Homepage, 2004, http://www.espresso.mpg.de
  89. 89.
    J.A. Jaber, J.B. Schlenoff, Langmuir 23, 896 (2007)CrossRefGoogle Scholar
  90. 90.
    B. Hess, C. Kutzner, D. van der Spoel, E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008)CrossRefGoogle Scholar
  91. 91.
    W. Jorgensen, D. Maxwell, J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225 (1996)CrossRefGoogle Scholar
  92. 92.
    J.N. Canongia Lopes, J. Deschamps, A.A.H. Padua, J. Phys. Chem. B 108, 2038 (2004)CrossRefGoogle Scholar
  93. 93.
    J.N. Canongia Lopes, A.A.H. Padua, K. Shimizu, J. Phys. Chem. B 112, 5039 (2008)CrossRefGoogle Scholar
  94. 94.
    H.J.C. Berendsen, J.R. Grigera, T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987)CrossRefGoogle Scholar
  95. 95.
    J.M. Martínez, L. Martínez, J. Comput. Chem. 24, 819 (2003)CrossRefGoogle Scholar
  96. 96.
    L. Martínez, R. Andrade, E.G. Birgin, J.M. Martínez, J. Comput. Chem. 30, 2157 (2009)CrossRefGoogle Scholar
  97. 97.
    H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, J.R. Haak, J. Chem. Phys. 81, 3684 (1984)ADSCrossRefGoogle Scholar
  98. 98.
    G. Bussi, D. Donadio, M. Parrinello, J. Chem. Phys. 126, 014101 (2007)ADSCrossRefGoogle Scholar
  99. 99.
    B. Hess, H. Bekker, H.J.C. Berendsen, J.G.E.M. Fraaije, J. Comput. Chem. 18, 1463 (1997)CrossRefGoogle Scholar
  100. 100.
    U. Essmann, et al., J. Chem. Phys. 103, 8577 (1995)ADSCrossRefGoogle Scholar
  101. 101.
    C.F. Narambuena, D.M. Beltramo, E.P.M. Leiva, Macromolecules 40, 7336 (2007)ADSCrossRefGoogle Scholar
  102. 102.
    J.J. Cerdà, B. Qiao, C. Holm (submitted)Google Scholar
  103. 103.
    J.B. Schlenoff, A.H. Rmaile, C.B. Bucur, J. Am. Chem. Soc. 130, 13589 (2008)CrossRefGoogle Scholar
  104. 104.
    H.W. Jomaa, J.B. Schlenoff, Langmuir 21, 8081 (2005)CrossRefGoogle Scholar
  105. 105.
    T.R. Farhat, J.B. Schlenoff, J. Am. Chem. Soc. 125, 4627 (2003)CrossRefGoogle Scholar
  106. 106.
    N.G. Hoogeveen, M.A. Cohen Stuart, G.J. Fleer, M.R. Bohmer, Langmuir 12, 3675 (1996)CrossRefGoogle Scholar
  107. 107.
    T. Crouzier, C. Picart, Biomacromolecules 10, 433 (2009)CrossRefGoogle Scholar
  108. 108.
    B. Hess, C. Holm, N. van der Vegt, Phys. Rev. Lett. 96, 147801 (2006)ADSCrossRefGoogle Scholar
  109. 109.
    B. Hess, C. Holm, N. van der Vegt, J. Chem. Phys. 124, 164509 (2006)ADSCrossRefGoogle Scholar
  110. 110.
    S.W. de Leeuw, J.W. Perram, E.R. Smith, Proc. R. Soc. Lond. A 373, 27 (1980)ADSCrossRefGoogle Scholar
  111. 111.
    P.G. Kusalik, I.M. Svishchev, Science 265, 1219 (1994)ADSCrossRefGoogle Scholar
  112. 112.
    P.G. Kusalik, M.E. Mandy, I.M. Svishchev, J. Chem. Phys. 100, 7654 (1994)ADSCrossRefGoogle Scholar
  113. 113.
    M.W. Mahoney, W.L. Jorgensen, J. Chem. Phys. 112, 8910 (2000)ADSCrossRefGoogle Scholar
  114. 114.
    P.A. Neff, B.K. Wunderlich, R. v. Klitzing, A.R. Bausch, Langmuir 23, 4048 (2007)CrossRefGoogle Scholar
  115. 115.
    X. Lu, H. Chen, Molecular Thermodynamics of Complex Systems (Springer, 2008)Google Scholar

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© EDP Sciences and Springer 2009

Authors and Affiliations

  1. 1.Institut für Computerphysik, Pfaffenwaldring 27, Universität StuttgartStuttgartGermany

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