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Coarse-graining polymers as soft colloids

Author

Listed:
  • Louis, A.A.
  • Bolhuis, P.G.
  • Finken, R.
  • Krakoviack, V.
  • Meijer, E.J.
  • Hansen, J.P.

Abstract

We show how to coarse-grain polymers in a good solvent as single particles, interacting with density-independent or density-dependent interactions. These interactions can be between the centres of mass, the mid- or end-points of the polymers. We also show how to extend these methods to polymers in poor solvents and mixtures of polymers. Treating polymers as soft colloids can greatly speed up the simulation of complex many-polymer systems, including polymer–colloid mixtures.

Suggested Citation

  • Louis, A.A. & Bolhuis, P.G. & Finken, R. & Krakoviack, V. & Meijer, E.J. & Hansen, J.P., 2002. "Coarse-graining polymers as soft colloids," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 306(C), pages 251-261.
    • Handle: RePEc:eee:phsmap:v:306:y:2002:i:c:p:251-261
    DOI: 10.1016/S0378-4371(02)00502-2
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    Cited by:

    1. Ilg, Patrick, 2008. "Macroscopic thermodynamics of flowing polymers derived from systematic coarse-graining procedure," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 387(26), pages 6484-6496.

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