Kinetics of charged polymer collapse in poor solvents

Extensive molecular dynamics simulations, using simple charged polymer models, have been employed to probe the collapse kinetics of a single flexible polyelectrolyte (PE) chain under implicit poor solvent conditions. We investigate the role of the charged nature of PE chain ( A ), valency of counter...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2022-01, Vol.34 (4), p.45101
Main Authors: Ghosh, Susmita, Vemparala, Satyavani
Format: Article
Language:English
Subjects:
collapse kinetics
molecular dynamics
polyelectrolyte chain
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Summary:Extensive molecular dynamics simulations, using simple charged polymer models, have been employed to probe the collapse kinetics of a single flexible polyelectrolyte (PE) chain under implicit poor solvent conditions. We investigate the role of the charged nature of PE chain ( A ), valency of counterions ( Z ) on the kinetics of such PE collapse. Our study shows that the collapse kinetics of charged polymers are significantly different from those of the neutral polymer and that the finite-size scaling behavior of PE collapse times does not follow the Rouse scaling as observed in the case of neutral polymers. The critical exponent for charged PE chains is found to be less than that of neutral polymers and also exhibits dependence on counterion valency. The coarsening of clusters along the PE chain suggests a multi-stage collapse and exhibits opposite behavior of exponents compared to neutral polymers: faster in the early stages and slower in the later stages of collapse.
ISSN:0953-8984
1361-648X
DOI:10.1088/1361-648X/ac1aef