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Shear-induced migration in flowing polymer solutions: Simulation of long-chain DNA in microchannels

J. Chem. Phys. 120, 2513 (2004); doi:10.1063/1.1637331

Issue Date: 1 February 2004 | See: Publisher's Note

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Richard M. Jendrejack
Department of Chemical and Biological Engineering, University of Wisconsin—Madison, Madison, Wisconsin 53706

David C. Schwartz
Department of Chemistry and Laboratory of Genetics, Laboratory for Molecular and Computational Genomics, University of Wisconsin—Madison, Madison, Wisconsin 53706

Juan J. de Pablo and Michael D. Graham
Department of Chemical and Biological Engineering, University of Wisconsin—Madison, Madison, Wisconsin 53706
We simulate dilute solution dynamics of long flexible polymer molecules in pressure driven flow in channels with widths of roughly 0.1–10 times the polymer bulk radius of gyration. This is done using a self-consistent coarse-grained Langevin description of the polymer dynamics and a numerical simulation of the flow in the confined geometry that is generated by the motions of polymer segments. Results are presented for a model of DNA molecules of ~10–100 µm contour length in micron-scale channels. During flow, the chains migrate toward the channel centerline, in agreement with well-known experimental observations. The thickness of the resulting hydrodynamic depletion layer increases with molecular weight at constant flow strength; higher molecular weight chains therefore move with a higher average axial velocity than lower molecular weight chains. In contrast, if the hydrodynamic effects of the confining geometry are neglected, depletion of concentration is observed in the center of the channel rather than at the walls, contradicting experimental observations. The mechanisms for migration are illustrated using a simple kinetic theory dumbbell model of a confined flexible polymer. The simple theory correctly predicts the trends observed in the detailed simulations. We also examine the steady-state stretch of DNA chains as a function of channel width and flow strength. The flow strength needed to stretch a highly confined chain away from its equilibrium length is shown to increase with decreasing channel width, independent of molecular weight; this is fairly well explained using a simple blob picture.©2004 American Institute of Physics.
History: Received 30 April 2003; accepted 5 November 2003; publisher error corrected 24 February 2004
Permalink: http://link.aip.org/link/?JCPSA6/120/2513/1
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ERRATUM

  1. Publisher's Note: "Shear-induced migration in flowing polymer solutions: Simulation of long-chain DNA in microchannels" [J. Chem. Phys. 120, 2513 (2004)]
    Richard M. Jendrejack et al.
    J. Chem. Phys. 120, 6315 (2004)

KEYWORDS and PACS

Keywords
PACS
  • 87.14.Gg
    DNA, RNA
  • 36.20.Ey
    Macromolecular conformation (statistics and dynamics)
  • 82.35.Lr
    Physical properties of polymers relating to polymer chemistry
  • YEAR: 2004

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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