Skip to main content
SpringerLink
Log in

Network structures in solutions of rigid-chain polyelectrolytes: Computer simulation

  • Theory, Modelling
  • Published:
Polymer Science Series A Aims and scope Submit manuscript

Abstract

The results of molecular dynamics simulation of solutions of highly charged rigid-chain polymers in the presence of multivalent counterions are presented. The processes of self-assembly of macromolecules that occur during the condensation of counterions and depend on temperature, the dielectric permittivity of the medium, and the charge of counterions were studied. Various conformational rearrangements induced by changing the parameters of the medium were examined. The conditions that lead to the formation of network superstructures composed of aggregating polymer chains were found. Size distribution functions for free-volume holes were constructed and the average dimensions of voids in the network structures formed were calculated.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. T. E. Angelini, L. K. Sanders, H. Liang, et al., J. Phys.: Condens. Matter 17, 1123 (2005).

    Article  CAS  Google Scholar 

  2. M. Sayar and S. I. Stupp, Phys. Rev. E: Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top. 72, 0118031 (2005).

  3. M. L. Gardel, J. H. Shin, F. C. MacKintosh, et al., Science (Washington, D. C.) 304, 1301 (2004).

    Article  CAS  Google Scholar 

  4. H. Deng and V. A. Bloomfield, Biophys. J. 77, 1556 (1999).

    CAS  Google Scholar 

  5. D. McLoughlin, M. Delsanti, C. Tribet, and D. Langevin, Europhys. Lett. 69, 461 (2005).

    Article  CAS  Google Scholar 

  6. J. X. Tang, T. Ito, T. Tao, et al., Biochemistry 36, 12600 (1997).

    Article  CAS  Google Scholar 

  7. J. X. Tang and P. A. Janmey, J. Biol. Chem. 271, 8556 (1996).

    Article  CAS  Google Scholar 

  8. R. Winkler, New J. Phys. 6, 11 (2004).

    Article  CAS  Google Scholar 

  9. R. S. Dias, A. A. C. C. Pais, M. G. Miguel, and B. Lindman, J. Chem. Phys. 119, 8150 (2003).

    Article  CAS  Google Scholar 

  10. V. A. Bloomfield, Curr. Opin. Struct. Biol. 6, 334 (1996).

    Article  CAS  Google Scholar 

  11. G. Maurstad and B. T. Stokke, Curr. Opin. Colloid Interface Sci. 10, 16 (2005).

    Article  CAS  Google Scholar 

  12. O. A. Gus’kova, A. S. Pavlov, and P. G. Khalatur, Polymer Science, Ser. A 48, 763 (2006) [Vysokomol. Soedin., Ser. A 48, 1166 (2006)].

    Article  Google Scholar 

  13. B.-Y. Ha and A. J. Liu, Phys. Rev. E: Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top. 60, 803 (1999).

    CAS  Google Scholar 

  14. F. Oosawa, Polyelectrolytes (Marcel Dekker, New York, 1971).

    Google Scholar 

  15. F. Oosawa, Biopolymers 6, 134 (1968).

    Google Scholar 

  16. G. N. Patey, J. Chem. Phys. 72, 5763 (1980).

    Article  CAS  Google Scholar 

  17. R. Kjellander and S. Marcelja, Chem. Phys. Lett. 112, 49 (1984).

    Article  CAS  Google Scholar 

  18. S. Marcelija, Biophys. J. 61, 1117 (1992).

    Google Scholar 

  19. I. Rouzina and V. A. Bloomfield, J. Phys. Chem. 100, 9977 (1996).

    Article  CAS  Google Scholar 

  20. N. Grønbech-Jensen, R. J. Mashl, R. F. Bruinsma, and W. M. Gelbart, Phys. Rev. Lett. 78, 2477 (1997).

    Article  Google Scholar 

  21. B. I. Shklovskii, Phys. Rev. E: Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top. 60, 5802 (1999).

    CAS  Google Scholar 

  22. J. J. Arenzon, Y. Levin, and J. F. Stilck, Physica A (Amsterdam) 283, 1 (2000).

    CAS  Google Scholar 

  23. A. A. Kornyshev and S. Leikin, J. Chem. Phys. 107, 3656 (1996).

    Article  Google Scholar 

  24. J. L. Barrat and J. F. Joanny, Adv. Chem. Phys. 94, 1 (1996).

    Article  CAS  Google Scholar 

  25. B.-Y. Ha and A. J. Liu, Phys. Rev. Lett. 79, 1289 (1997).

    Article  CAS  Google Scholar 

  26. B.-Y. Ha and A. J. Liu, Phys. Rev. Lett. 81, 1011 (1998).

    Article  CAS  Google Scholar 

  27. J. Ray and G. S. Manning, Langmuir 10, 2450 (1994).

    Article  CAS  Google Scholar 

  28. V. A. Bloomfield, Biopolymers 31, 1471 (1991).

    Article  CAS  Google Scholar 

  29. R. Marquet and C. Houssier, J. Biomol. Struct. Dyn. 9, 159 (1991).

    CAS  Google Scholar 

  30. D. C. Rau and V. A. Parsegian, Science (Washington, D. C.) 249, 1278 (1990).

    Article  CAS  Google Scholar 

  31. J. X. Tang, Q. Wen, A. Bennett, et al., Am. J. Physiol., Lung Cell Mol. Physiol. 289, 599 (2005).

    Article  CAS  Google Scholar 

  32. J. X. Tang, P. A. Janmey, A. Lyubartsev, and L. Nordenskiöld, Biophys. J. 83, 566 (2002).

    CAS  Google Scholar 

  33. D. L. Needleman, M. A. Ojeda-Lopez, U. Raviv, et al., Proc. Natl. Acad. Sci. U.S.A. 101, 16099 (2004).

    Article  CAS  Google Scholar 

  34. M. Kawamura and K. Maruyama, J. Biochem. 67, 437 (1970).

    CAS  Google Scholar 

  35. W. E. Flower and U. Aebi, J. Cell Biol. 93, 452 (1982).

    Article  Google Scholar 

  36. N. J. Grant, C. Oriol-Audit, and M. J. Dickens, Eur. J. Cell Biol. 30, 67 (1983).

    CAS  Google Scholar 

  37. C. H. Owen, D. J. DeRosier, and J. Condeelis, J. Struct. Biol. 109, 248 (1992).

    Article  CAS  Google Scholar 

  38. D. L. Stokes and D. J. DeRosier, Biophys. J. 59, 456 (1991).

    Article  CAS  Google Scholar 

  39. M. J. Stevens, Phys. Rev. Lett. 82, 101 (1999).

    Article  CAS  Google Scholar 

  40. M. Deserno and C. Holm, Mol. Phys. 100, 2941 (2002).

    Article  CAS  Google Scholar 

  41. M. Deserno, A. Arnold, and C. Holm, Macromolecules 36, 249 (2003).

    Article  CAS  Google Scholar 

  42. H. J. Limbach, M. Sayar, and C. Holm, J. Phys.: Condens. Matter 16, 2135 (2004).

    Article  CAS  Google Scholar 

  43. X. Yu and A. E. Carlsson, Biophys. J. 87, 3679 (2004).

    Article  CAS  Google Scholar 

  44. P. G. Khalatur, A. R. Khokhlov, D. A. Mologin, and P. Reineker, J. Chem. Phys. 119, 1232 (2003).

    Article  CAS  Google Scholar 

  45. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991, Russia

    O. A. Gus’kova & P. G. Khalatur

  2. Tver State University, Sadovyi per. 35, Tver, 170002, Russia

    A. S. Pavlov

Authors
  1. O. A. Gus’kova
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. A. S. Pavlov
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. P. G. Khalatur
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Original Russian Text © O.A. Gus’kova, A.S. Pavlov, P.G. Khalatur, 2007, published in Vysokomolekulyarnye Soedineniya, Ser. A, 2007, Vol. 49, No. 5, pp. 905–911.

This work was supported by the Russian Foundation for Basic Research, project nos. 04-03-32185a and 05-03-32952a.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Gus’kova, O.A., Pavlov, A.S. & Khalatur, P.G. Network structures in solutions of rigid-chain polyelectrolytes: Computer simulation. Polym. Sci. Ser. A 49, 611–616 (2007). https://doi.org/10.1134/S0965545X07050161

Download citation

  • Received:

  • Revised:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0965545X07050161

Keywords

Search

Navigation