We study the dynamics of a single semiflexible chain in solution using computer simulations, where we systematically investigate the effect of excluded volume, chain stiffness, and hydrodynamic interactions. We achieve excellent agreement with previous theoretical considerations, but find that the crossover from the time , up to which free ballistic motion of the monomers describes the chain dynamics, to the times W1 or , where anomalous monomer diffusion described by Rouse-type and Zimm-type models sets in, requires two decades of time. While in the limit of fully flexible chains the visibility of the anomalous diffusion behavior is thus rather restricted, the t3/4 power law predicted for stiff chains without hydrodynamic interactions is verified. Including hydrodynamics, evidence for the predicted behavior is obtained. Similar good agreement with previous theoretical predictions is found for the decay of the bond autocorrelation functions and the end-to-end vector correlation. Finally, several predictions on the variation of characteristic relaxation times with persistence length describing the chain stiffness are tested.
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21 December 2016
Research Article|
December 15 2016
Dynamics of single semiflexible polymers in dilute solution
Arash Nikoubashman
;
Arash Nikoubashman
a)
1Institute of Physics,
Johannes Gutenberg University Mainz
, Staudingerweg 7, 55128 Mainz, Germany
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Andrey Milchev
;
Andrey Milchev
1Institute of Physics,
Johannes Gutenberg University Mainz
, Staudingerweg 7, 55128 Mainz, Germany
2Institute for Physical Chemistry,
Bulgarian Academia of Sciences
, 1113 Sofia, Bulgaria
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Kurt Binder
Kurt Binder
1Institute of Physics,
Johannes Gutenberg University Mainz
, Staudingerweg 7, 55128 Mainz, Germany
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a)
Electronic mail: [email protected]
J. Chem. Phys. 145, 234903 (2016)
Article history
Received:
September 21 2016
Accepted:
November 26 2016
Citation
Arash Nikoubashman, Andrey Milchev, Kurt Binder; Dynamics of single semiflexible polymers in dilute solution. J. Chem. Phys. 21 December 2016; 145 (23): 234903. https://doi.org/10.1063/1.4971861
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