Journal Article

FZJ-2020-02951

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Flow driven transitions of polyelectrolytes

Singh, S. P. (Corresponding author)Extern* ; Winkler, R. G. (Last author)FZJ*

2020
Inst.

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Please use a persistent id in citations: http://hdl.handle.net/2128/25555  doi:10.1122/8.0000085

Abstract: 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.

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Contributing Institute(s):

1. Theorie der Weichen Materie und Biophysik (IAS-2)
2. JARA-SOFT (JARA-SOFT)

Research Program(s):

1. 551 - Functional Macromolecules and Complexes (POF3-551) (POF3-551)

Appears in the scientific report 2020

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Electronics and Telecommunications Collection ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; National-Konsortium ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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