Skip to main content
SpringerLink
Log in

Properties of star-branched and linear chains in confined space. A Monte-Carlo study

  • Original Paper
  • Published:
Journal of Molecular Modeling Aims and scope Submit manuscript

Abstract

We have studied the properties of simple models of linear and star-branched polymer chains confined in a slit formed by two parallel impenetrable walls. The polymer chains consisted of identical united atoms (homopolymers) and were restricted to a simple cubic lattice. Two macromolecular architectures of the chain: linear and regular stars with three branches of equal length, were studied. The excluded volume was the only potential introduced into the model and thus the system was athermal. Monte-Carlo simulations with the sampling algorithm based on the chain’s local changes of conformation were carried out for chains with different lengths as well as for different distances between the confining surfaces. We found that the properties of model chains differ for both macromolecular architectures but a universal behavior for both kinds of chains was also found. Investigation of the frequency of chain-wall contacts shows that the ends of the chains are much more mobile than the rest of the chain, especially in the vicinity of the branching point in star polymers.

Figure The scheme of a star-branched (left) and a linear (right) chain located between two parallel impenetrable surfaces.

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

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7

Similar content being viewed by others

References

  1. Eisenriegler R (1993) Polymers near surfaces. World Scientific, Singapore

    Google Scholar 

  2. van Vliet JH, ten Brinke G (1990) J Chem Phys 93:1436–1441

    Google Scholar 

  3. Giesen E, Szleifer I (1995) J Chem Phys 102:9069–9076

    Google Scholar 

  4. Milchev A, Binder K (1996) J Phys II (France) 6:21–31

    CAS  Google Scholar 

  5. Semenov N, Joanny JF, Johner A, Bonet-Avalos J (1997) Macromolecules 30:1479–1489

    CAS  Google Scholar 

  6. Cordeiro E, Molisana M, Thirumalai D (1997) J Phys II (France) 7:433–447

    CAS  Google Scholar 

  7. Erman B, Monnerie L (1997) Macromolecules 30:5075–5084

    CAS  Google Scholar 

  8. Milchev A, Binder K (1998) Eur Pys J B 3:477–484

    CAS  Google Scholar 

  9. Cifra P, Bleha T (1999) Macromol Theory Simul 8:603–610

    CAS  Google Scholar 

  10. Kuznetsov V, Balazs AC (2000) J Chem Phys 113:2479–2483

    CAS  Google Scholar 

  11. Scheutjens JMHM, Fleer GJ (1979) J Phys Chem 83:1619–1635

    CAS  Google Scholar 

  12. Scheutjens JMHM, Fleer GJ (1979) J Phys Chem 84:178–190

    Google Scholar 

  13. de Gennes PG (1981) Macromolecules 14:1637–1644

    Google Scholar 

  14. Grest GS, Fetters LJ, Huang JS, Richter D (1996) Adv Chem Phys 94:67–163

    CAS  Google Scholar 

  15. Freire JJ (1999) Adv Pol Sci 143:35–112

    CAS  Google Scholar 

  16. Sikorski A (1993) Makromol Chem Theory Simul 2:309–318

    CAS  Google Scholar 

  17. Sikorski A, Koliński A, Skolnick J (1994) Macromol Theory Simul 3:715–729

    CAS  Google Scholar 

  18. Romiszowski P, Sikorski A (2002) J Chem Phys 116:1731–1736

    CAS  Google Scholar 

  19. Romiszowski P, Sikorski A (2004) J Chem Phys 120:7206–7211

    PubMed  Google Scholar 

  20. Sikorski A, Romiszowski P (1996) 104:8703–8712

  21. Wang Y (2004) J Chem Phys 121:3898–3904

    CAS  PubMed  Google Scholar 

  22. Romiszowski P, Sikorski A (2001) Comput Theory Polym Sci 11:129–131

    CAS  Google Scholar 

  23. Zimm BH, Stockmayer WH (1949) J Chem Phys 17:1301–1314

    CAS  Google Scholar 

  24. Daoud M, Cotton JP (1982) J Phys 43:531–538

    CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warszawa, Poland

    Piotr Romiszowski & Andrzej Sikorski

Authors
  1. Piotr Romiszowski
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Andrzej Sikorski
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Piotr Romiszowski.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Romiszowski, P., Sikorski, A. Properties of star-branched and linear chains in confined space. A Monte-Carlo study. J Mol Model 11, 335–340 (2005). https://doi.org/10.1007/s00894-005-0252-y

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00894-005-0252-y

Keywords

Search

Navigation