Variational Treatment of Hydrodynamic Interaction in Polymers

• Jens Rotne

  University of Minnesota, Department of Chemistry, Minneapolis, Minnesota 55455

• Stephen Prager

  University of Minnesota, Department of Chemistry, Minneapolis, Minnesota 55455

抄録

It has recently been pointed out by several authors that the Kirkwood–Riseman diffusion tensor normally used to treat hydrodynamic interactions in polymer molecules is not necessarily positive definite, an unphysical behavior which results from the neglect of short-range contributions to the interaction between chain segments. The problem can be reformulated as a minimization of the rate at which energy is dissipated by the motion of the suspending fluid, and in this way we have obtained an approximate diffusion tensor which (1) is positive definite for all configurations of the polymer molecule, (2) approaches the Kirkwood–Riseman diffusion tensor at large separations between the interacting segments, and (3) can be written as the true diffusion tensor plus a positive definite correction. The last feature can be used to obtain variational bounds on relaxation times and sedimentation rates.

収録刊行物

• The Journal of Chemical Physics

  The Journal of Chemical Physics 50 (11), 4831-4837, 1969-06-01

  AIP Publishing

キーワード

• Physical and Theoretical Chemistry
• General Physics and Astronomy

詳細情報

• CRID: 1363670319031385088
• NII論文ID: 30015690831
• DOI: 10.1063/1.1670977
• ISSN: 10897690
• ISSN: 00219606
• Web Site: https://pubs.aip.org/aip/jcp/article-pdf/50/11/4831/18862356/4831_1_online.pdf
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