Coarse-Grained Simulations of Thermosensitive Polymer Nanocomposites
Nanogels (as well as other polymer networks) can absorb nanoparticles that give them new properties and expand their application possibilities. The resulting hybrid entities constitute a kind of polymer nanocomposites, which have become an emerging area of research. In this work, coarse-grained simu...
| Autores: | , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2026 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/424700 |
| Acceso en línea: | http://hdl.handle.net/10261/424700 https://api.elsevier.com/content/abstract/scopus_id/105030929937 |
| Access Level: | acceso abierto |
| Palabra clave: | Absorption Nanocomposites Nanogels Nanoparticles Polymers |
| Sumario: | Nanogels (as well as other polymer networks) can absorb nanoparticles that give them new properties and expand their application possibilities. The resulting hybrid entities constitute a kind of polymer nanocomposites, which have become an emerging area of research. In this work, coarse-grained simulations have been used to study how certain properties of these nanocomposites (size, number of nanoparticles inside, net charge, and surface potential) change with temperature. Four nanocomposites with different values of charge anchored to the polymer network (known as bare charge) were simulated. The degree to which nanocomposites shrink and expel the particles they contain depends strongly on the bare charge, which, in turn, could be related to the pH in pH-sensitive micro- and nanogels. Our results also reveal that nanoparticles are responsible for nanocomposites exhibiting much richer and more complex behavior than nanogels. Furthermore, the strong correlations that nanoparticles experience when the polymer network shrinks should not be ignored in mean-field theories that try to predict how nanocomposites behave. |
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