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Critical behavior of lattice polymers studied by Monte Carlo simulations

J. Chem. Phys. 113, 5954 (2000); doi:10.1063/1.1290475

Issue Date: 8 October 2000

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Qiliang Yan and Juan J. de Pablo
Department of Chemical Engineering, University of Wisconsin—Madison, Madison, Wisconsin 53706
A newly developed expanded grand-canonical formalism is applied to locate the critical point of systems of long polymeric molecules. Two polymer systems are investigated in this work; the first consists of chains in a simple cubic lattice, the second consists of bond-fluctuating molecules. For the former we simulate molecules of up to 16 000 sites, and for the latter we study molecules of up to 500 sites. These chain lengths are well above those investigated by all prior simulation studies of critical phenomena in polymer solutions. Critical parameters are determined as a function of chain length by means of field-mixing finite-size scaling techniques. Our results for the scaling behavior of the critical temperature are consistent with literature values. Our results for the scaling of the critical density, however, indicate that the corresponding critical exponent is higher than that reported by previous authors. The leading logarithmic term of the finite-chain-length correction to the critical density is confirmed by our results. ©2000 American Institute of Physics.
History: Received 23 March 2000; accepted 12 July 2000
Permalink: http://link.aip.org/link/?JCPSA6/113/5954/1
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KEYWORDS and PACS

Keywords
PACS
  • 61.41.+e
    Structure of solids and liquids; crystallography Polymers, elastomers, and plastics
  • 05.70.Jk
    Statistical physics, thermodynamics, and nonlinear dynamical systems Thermodynamics Critical point phenomena
  • 64.60.-i
    Equations of state, phase equilibria, and phase transitions General studies of phase transitions
  • 61.25.Hq
    Structure of solids and liquids; crystallography Studies of specific liquid structures Macromolecular and polymer solutions; polymer melts; swelling
  • 05.50.+q
    Statistical physics, thermodynamics, and nonlinear dynamical systems Lattice theory and statistics (Ising, Potts, etc.)
  • YEAR: 2000

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (24)
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  1. T. Dobashi, B. Wolf, and K. Binder, J. Chem. Phys. 72, 6685 (1980).
  2. I. C. Sanchez, J. Chem. Phys. 93, 6983 (1989).
  3. K. shinozaki, T. van Tan, Y. Saito, and T. Nose, Polymer 23, 278 (1982).
  4. A. Z. Panagiotopoulos and V. Wang, Macromolecules 31, 912 (1998).
  5. N. B. Wilding, M. Müller, and K. Binder, J. Chem. Phys. 105, 802 (1996).
  6. H. Frauenkron and P. Grassberger, J. Chem. Phys. 107, 9599 (1997).
  7. W. G. Madden, A. I. Pesci, and K. F. Freed, Macromolecules 23, 1181 (1990).
  8. Y. J. Shen, A. Z. Panagiotopoulos, and S. K. Kumar, Macromolecules 24, 400 (1994).
  9. A. D. Mackie, A. Z. Panagiotopoulos, and S. K. Kumar, J. Chem. Phys. 102, 1014 (1995).
  10. F. A. Escobedo and J. J. de Pablo, Mol. Phys. 87, 347 (1996).
  11. Q. Yan, H. Liu, and Y. Hu, Macromolecules 29, 4066 (1996).
  12. P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, 1953), Chap. XIII.
  13. P. G. de Gennes, Scaling Concepts in Polymer Physics (Cornell University, Ithaca, 1979), Chap. IV, Sec. 3.
  14. B. J. Cherayil, J. Chem. Phys. 95, 2135 (1991).
  15. M. Muthukumar, J. Chem. Phys. 85, 4722 (1986).
  16. F. A. Escobedo and J. J. de Pablo, J. Chem. Phys. 105, 4391 (1996).
  17. I. Carmesin and K. Kremer, Macromolecules 21, 2819 (1988).
  18. H. P. Deutsch and K. Binder, J. Chem. Phys. 94, 2294 (1991).
  19. A. M. Ferrenberg and R. H. Swedensen, Phys. Rev. Lett. 61, 2635 (1988);
    20. 63, 1195 (1989).
  20. A. D. Bruce and N. B. Wilding, Phys. Rev. Lett. 68, 193 (1992).
  21. N. B. Wilding and A. D. Bruce, J. Phys.: Condens. Matter 4, 3087 (1992).
  22. N. B. Wilding and M. Müller, J. Chem. Phys. 102, 2562 (1995).
  23. B. Duplantier, J. Phys. (France) 43 991 (1982).
  24. J. Hager and L. Schäfer, Phys. Rev. E 60, 2071 (1999).

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