Advertisement

Journal of Molecular Modeling

, Volume 17, Issue 9, pp 2209–2215 | Cite as

The structure of percolated polymer systems: a computer simulation study

  • Andrzej SikorskiEmail author
  • Piotr Polanowski
  • Piotr Adamczyk
  • Szymon Żerko
Original Paper

Abstract

We studied the percolation process in a system consisting of long flexible polymer chains and solvent molecules. The polymer chains were approximated by linear sequences of beads on a two-dimensional triangular lattice. The system was athermal and the excluded volume was the only potential. The properties of the model system across the entire range of polymer concentrations were determined by Monte Carlo simulations employing a cooperative motion algorithm (CMA). The scaling behavior and the structure of the percolation clusters are presented and discussed.

Keywords

Lattice model Monte Carlo method Percolation Polymer adsorption 

Notes

Acknowledgments

The computational part of this work was done using the computer cluster at the Computing Center of the Department of Chemistry at the University of Warsaw.

References

  1. 1.
    Stauffer D, Aharony A (1994) Introduction to percolation theory. Taylor and Francis, LondonGoogle Scholar
  2. 2.
    Vigil RD, Ziff RM (1989) J Chem Phys 91:2599–2602CrossRefGoogle Scholar
  3. 3.
    Ziff RM, Vigil RD (1990) J Phys A 23:5103–5108Google Scholar
  4. 4.
    Vandewalle N, Galam S, Kramer M (2000) Eur Phys J B 14:407–410CrossRefGoogle Scholar
  5. 5.
    Kondrat G, Pekalski A (2001) Phys Rev E 63:051108Google Scholar
  6. 6.
    Kondrat G, Pekalski A (2001) Phys Rev E 64:056118Google Scholar
  7. 7.
    Adamczyk P, Romiszowski P, Sikorski A (2008) J Chem Phys 128:154911CrossRefGoogle Scholar
  8. 8.
    Evans JW (1993) Rev Mod Phys 65:1281–1329CrossRefGoogle Scholar
  9. 9.
    Tarasevich YY, Cherkasova VA (2007) Eur Phys J B 60:97–100CrossRefGoogle Scholar
  10. 10.
    De Gennes PG (1979) Scaling concepts in polymer physics. Cornell University Press, IthacaGoogle Scholar
  11. 11.
    Becklehimer JL, Pandey RB (1994) J Stat Phys 75:765–771CrossRefGoogle Scholar
  12. 12.
    Wang SJ, Pandey RB (1996) Phys Rev Lett 77:1773–1776CrossRefGoogle Scholar
  13. 13.
    Kondrat G (2003) J Chem Phys 117:6662–6666CrossRefGoogle Scholar
  14. 14.
    Jia LC, Lai PY (1996) J Chem Phys 105:11319–11325CrossRefGoogle Scholar
  15. 15.
    Sikorski A (2001) Macromol Theory Simul 10:38–45CrossRefGoogle Scholar
  16. 16.
    Kosmas MK (1990) Macromolecules 23:2061–2065CrossRefGoogle Scholar
  17. 17.
    Wang X, Chatterjee AP (2003) J Chem Phys 118:10787–10793CrossRefGoogle Scholar
  18. 18.
    Otten R HJ, van der Schoot P (2009) Phys Rev Lett (2009) 103:225704Google Scholar
  19. 19.
    Williams SR, Philipse AP (2003) Phys Rev E 67:051301Google Scholar
  20. 20.
    Chatterjee AP (2008) J Phys Condens Matter 20:255250CrossRefGoogle Scholar
  21. 21.
    Adamczyk P, Polanowski P, Sikorski A (2009) J Chem Phys 131:234901CrossRefGoogle Scholar
  22. 22.
    Wu Y, Schmittmann B, Zia RKP (2008) J Phys A 41:025004Google Scholar
  23. 23.
    Zia RKP, Wu Y, Schmittmann B (2009) J Math Chem 45:58–64CrossRefGoogle Scholar
  24. 24.
    Schilling T, Jungblut S, Miller AA (2007) Phys Rev Lett 98:108303CrossRefGoogle Scholar
  25. 25.
    Pakula T (1987) Macromolecules 20:679–682CrossRefGoogle Scholar
  26. 26.
    Pakula T, Geyler S (1987) Macromolecules 20:2909–2914CrossRefGoogle Scholar
  27. 27.
    Geyler S, Pakula T, Reiter J (1990) J Chem Phys 92:2676–2680CrossRefGoogle Scholar
  28. 28.
    Reiter J, Edling T, Pakula T (1990) J Chem Phys 93:837–844CrossRefGoogle Scholar
  29. 29.
    Polanowski P, Jeszka JK (2007) Langmuir 23:8678–8680CrossRefGoogle Scholar
  30. 30.
    Drory A, Balberg I, Alon U (1991) Phys Rev Abstr 43:6604–6612Google Scholar
  31. 31.
    Yethiraj A (2003) Macromolecules 36:5854–5862CrossRefGoogle Scholar
  32. 32.
    Rudnick JA, Gaspari G (1986) J Phys A 19:L191–L193CrossRefGoogle Scholar
  33. 33.
    Cornette V, Ramirez-Pastor AJ, Nieto F (2003) Eur Phys J B 36:391–399CrossRefGoogle Scholar
  34. 34.
    Yi YB, Sastry AM (2004) P Roy Soc Lond A 460:2353–2380Google Scholar
  35. 35.
    Lebovka N, Lisunova M, Mamunya YP, Vygornitskii N (2006) J Phys D 39:2264–2271Google Scholar

Copyright information

© Springer-Verlag 2011

Authors and Affiliations

  • Andrzej Sikorski
    • 1
    Email author
  • Piotr Polanowski
    • 2
  • Piotr Adamczyk
    • 1
  • Szymon Żerko
    • 1
  1. 1.Department of ChemistryUniversity of WarsawWarsawPoland
  2. 2.Department of Molecular PhysicsTechnical University of ŁódźŁódźPoland

Personalised recommendations