ArticlePolymers2017
Polymer Conformations in Ionic Microgels in the Presence of Salt: Theoretical and Mesoscale Simulation Results.
Article in Polymers, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Coarse-Grained Simulations of Thermosensitive Polymer Nanocomposites.Macromolecules · 2026Article
- Preparation of Polymyxin B-Functionalized Cryogels for Efficient Endotoxin Removal from Protein Solutions.Gels (Basel, Switzerland) · 2025Article
- Article
- Coarse-Grained Simulations of Release of Drugs Housed in Flexible Nanogels: New Insights into Kinetic Parameters.Polymers · 2022Article
- Numerical modelling of non-ionic microgels: an overview.Soft matter · 2019Review
- Universal McMillan-Mayer van der Waals Langevin Gel.ACS omega · 2018Article
- Modelling realistic microgels in an explicit solvent.Scientific reports · 2018Article
- Condensation of Counterions Gives Rise to Contraction Transitions in a One-Dimensional Polyelectrolyte Gel.Polymers · 2018Article
- Internal structure and swelling behaviour of in silico microgel particles.Journal of physics. Condensed matter : an Institute of Physics journal · 2018Article
- Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions.Gels (Basel, Switzerland) · 2017Article
- Article
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Authors and funding
4 authors.
Funding
Abstract
We investigate the conformational properties of polymers in ionic microgels in the presence of salt ions by molecular dynamics simulations and analytical theory. A microgel particle consists of coarse-grained linear polymers, which are tetra-functionally crosslinked. Counterions and salt ions are taken into account explicitly, and charge-charge interactions are described by the Coulomb potential. By varying the charge interaction strength and salt concentration, we characterize the swelling of the polyelectrolytes and the charge distribution. In particular, we determine the amount of trapped mobile charges inside the microgel and the Debye screening length. Moreover, we analyze the polymer extension theoretically in terms of the tension blob model taking into account counterions and salt ions implicitly by the Debye⁻Hückel model. Our studies reveal a strong dependence of the amount of ions absorbed in the interior of the microgel on the electrostatic interaction strength, which is related to the degree of the gel swelling. This implies a dependence of the inverse Debye screening length
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