ArticlePolymers2020
Polymer Conformations, Entanglements and Dynamics in Ionic Nanocomposites: A Molecular Dynamics Study.
Article in Polymers, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Structure, Conformations, and Diffusion in PDMS/Silica Nanocomposites via Atomistic MD Simulations.Macromolecules · 2025Article
- Review
- From Ionic Nanoparticle Organic Hybrids to Ionic Nanocomposites: Structure, Dynamics, and Properties: A Review.Nanomaterials (Basel, Switzerland) · 2022Review
- Structure and Diffusion of Ionic PDMS Melts.Polymers · 2022Article
- Article
- Ionic Polymer Nanocomposites Subjected to Uniaxial Extension: A Nonequilibrium Molecular Dynamics Study.Polymers · 2021Article
- Insights from modeling into structure, entanglements, and dynamics in attractive polymer nanocomposites.Soft matter · 2021Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
We investigate nanoparticle (NP) dispersion, polymer conformations, entanglements and dynamics in ionic nanocomposites. To this end, we study nanocomposite systems with various spherical NP loadings, three different molecular weights, two different Bjerrum lengths, and two types of charge-sequenced polymers by means of molecular dynamics simulations. NP dispersion can be achieved in either oligomeric or entangled polymeric matrices due to the presence of electrostatic interactions. We show that the overall conformations of ionic oligomer chains, as characterized by their radii of gyration, are affected by the presence and the amount of charged NPs, while the dimensions of charged entangled polymers remain unperturbed. Both the dynamical behavior of polymers and NPs, and the lifetime and amount of temporary crosslinks, are found to depend on the ratio between the Bjerrum length and characteristic distance between charged monomers. Polymer-polymer entanglements start to decrease beyond a certain NP loading. The dynamics of ionic NPs and polymers is very different compared with their non-ionic counterparts. Specifically, ionic NP dynamics is getting enhanced in entangled matrices and also accelerates with the increase of NP loading.
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Registered trials
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