Mode-coupling approach to polymer diffusion in an unentangled melt. II. The effect of viscoelastic hydrodynamic interactions

J. Farago, H. Meyer, J. Baschnagel, and A. N. Semenov
Phys. Rev. E 85, 051807 – Published 25 May 2012

Abstract

A mode-coupling theory (MCT) version (called hMCT thereafter) of a recently presented theory [Farago, Meyer, and Semenov, Phys. Rev. Lett. 107, 178301 (2011)] is developed to describe the diffusional properties of a tagged polymer in a melt. The hMCT accounts for the effect of viscoelastic hydrodynamic interactions (VHIs), that is, a physical mechanism distinct from the density-based MCT (dMCT) described in the first paper of this series. The two versions of the MCT yield two different contributions to the asymptotic behavior of the center-of-mass velocity autocorrelation function (c.m. VAF). We show that in most cases the VHI mechanism is dominant; for long chains and prediffusive times it yields a negative tail N1/2t3/2 for the c.m. VAF. The case of non-momentum-conserving dynamics (Langevin or Monte Carlo) is discussed as well. It generally displays a distinctive behavior with two successive relaxation stages: first N1t5/4 (as in the dMCT approach), then N1/2t3/2. Both the amplitude and the duration of the first t5/4 stage crucially depend on the Langevin friction parameter γ. All results are also relevant for the early time regime of entangled melts. These slow relaxations of the c.m. VAF, thus account for the anomalous subdiffusive regime of the c.m. mean square displacement widely observed in numerical and experimental works.

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  • Received 6 June 2011

DOI:https://doi.org/10.1103/PhysRevE.85.051807

©2012 American Physical Society

Authors & Affiliations

J. Farago, H. Meyer, J. Baschnagel, and A. N. Semenov

  • Institut Charles Sadron, Université de Strasbourg, CNRS UPR22, 23 rue du Loess, 67034 Strasbourg Cedex 2, France

See Also

Mode-coupling approach to polymer diffusion in an unentangled melt. I. The effect of density fluctuations

J. Farago, A. N. Semenov, H. Meyer, J. P. Wittmer, A. Johner, and J. Baschnagel
Phys. Rev. E 85, 051806 (2012)

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Vol. 85, Iss. 5 — May 2012

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