This title appears in the Scientific Report :
2020
Please use the identifier:
http://hdl.handle.net/2128/25555 in citations.
Please use the identifier: http://dx.doi.org/10.1122/8.0000085 in citations.
Flow driven transitions of polyelectrolytes
Flow driven transitions of polyelectrolytes
The nonequilibrium properties of uniformly charged linear polymers in the presence of explicit counterions under shear flow are studied by coarse-grained mesoscale hydrodynamics simulations. The conformational properties of the polyelectrolyte (PE) are quantified by the gyration tensor, the distribu...
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Personal Name(s): | Singh, Sunil P. (Corresponding author) |
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Winkler, Roland G. (Last author) | |
Contributing Institute: |
JARA-SOFT; JARA-SOFT Theorie der Weichen Materie und Biophysik; IAS-2 |
Published in: | Journal of rheology, 64 (2020) 5, S. 1121 - 1131 |
Imprint: |
Inst.
2020
|
DOI: |
10.1122/8.0000085 |
Document Type: |
Journal Article |
Research Program: |
Functional Macromolecules and Complexes |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1122/8.0000085 in citations.
The nonequilibrium properties of uniformly charged linear polymers in the presence of explicit counterions under shear flow are studied by coarse-grained mesoscale hydrodynamics simulations. The conformational properties of the polyelectrolyte (PE) are quantified by the gyration tensor, the distribution of the end-to-end distance, and alignment with the flow, which display rather universal behavior for small and moderate electrostatic interaction strengths in the regime of condensed counterions. In the limit of strong counterion condensation, shear flow leads to a globule-coil transition and polymer stretching, associated with an increase of the effective PE charge. The polyelec- trolytes exhibit a pronounced tumbling motion with cyclic stretched and collapsed conformations. The average tumbling-time period decreases with increasing shear rate by a power-law with the exponent -2/3 for PEs in the coiled state. The tumbling time exhibits a pla- teaulike regime over nearly a decade of shear rates for PEs in the globular state. In addition, we identify various characteristic PE struc- tures under flow in the globule and coil limits determined by the condensed counterions. |