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Stretching an adsorbed polymer globule

Franck Celestini, Thomas Frisch, and Xabier Oyharcabal
Phys. Rev. E 70, 012801 – Published 26 July 2004

Abstract

Using molecular dynamic simulation, we study the stretching of an adsorbed homopolymer in a poor solvent with one end held at a distance ze from the substrate. We measure the vertical force f on the end of the chain as a function of the extension ze and the substrate interaction energy w. The force reaches a plateau value at large extensions. In the strong adsorption limit, we show that the plateau value increases linearly in w in good agreement with a theoretical model. In the weak adsorption limit, a polymer globule with a layered structure is formed and elastically deformed when stretched. In both cases a simple theoretical model permits us to predict the relation between the necessary force to fully detach the polymer and its critical extension.

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  • Received 22 October 2003

DOI:https://doi.org/10.1103/PhysRevE.70.012801

©2004 American Physical Society

Authors & Affiliations

Franck Celestini

  • Laboratoire de Physique de la Matière Condensée, UMR 6622, CNRS, Université de Nice Sophia-Antipolis, Parc Valrose, 06108 Nice Cedex 2, France

Thomas Frisch and Xabier Oyharcabal

  • Institut de Recherche sur les Phénomènes Hors Équilibre, UMR 6594, CNRS, Université d’Aix-Marseille, Marseille, France

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Vol. 70, Iss. 1 — July 2004

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Images

  • Figure 1
    Figure 1
    Snapshot of the polymer adsorbed on the surface with a fixed end. (Simulation at w=4, T=0.8, N=100, and ze=15.)Reuse & Permissions
  • Figure 2
    Figure 2
    Graph of fp as a function of w for T=0.8. Circles are simulation results of the plateau value. The line corresponds to the theoretical prediction obtained by minimizing F with respect to Nc. The inset is a force-extension diagram for w=8.Reuse & Permissions
  • Figure 3
    Figure 3
    Force-extension diagram in the strong adsorption limit for T=0.8 and w=60. Circles are simulation results and the line is the theoretical prediction presented below. Inset: ze=18, time variation of the force together with its associated probability density function illustrating the dynamical coexistence between the two states with Nc=18 and Nc=19 monomers.Reuse & Permissions
  • Figure 4
    Figure 4
    Force at the detachment point zec for different values of w and N. Diamonds: N=100, w=3,4,6,8,10,20,40,60 from left to right. Circles: N=200, w=4,8,10,20,40. Square: N=400, w=4. Full lines are theoretical predictions.Reuse & Permissions
  • Figure 5
    Figure 5
    (Top) N=100, density profiles ρ(z) showing layering for a free globule and globules with ze=15 and 20 (w=8). (Bottom) Energy profiles E(z) for the same parameters.Reuse & Permissions
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