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Modeling Microgels with a Controlled Structure across the Volume Phase Transition
[Image: see text] Thermoresponsive microgels are soft colloids that find widespread use as model systems for soft matter physics. Their complex internal architecture, made of a disordered and heterogeneous polymer network, has been so far a major challenge for computer simulations. In this work, we...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical Society
2019
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6812067/ https://www.ncbi.nlm.nih.gov/pubmed/31656322 http://dx.doi.org/10.1021/acs.macromol.9b01122 |
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author | Ninarello, Andrea Crassous, Jérôme J. Paloli, Divya Camerin, Fabrizio Gnan, Nicoletta Rovigatti, Lorenzo Schurtenberger, Peter Zaccarelli, Emanuela |
author_facet | Ninarello, Andrea Crassous, Jérôme J. Paloli, Divya Camerin, Fabrizio Gnan, Nicoletta Rovigatti, Lorenzo Schurtenberger, Peter Zaccarelli, Emanuela |
author_sort | Ninarello, Andrea |
collection | PubMed |
description | [Image: see text] Thermoresponsive microgels are soft colloids that find widespread use as model systems for soft matter physics. Their complex internal architecture, made of a disordered and heterogeneous polymer network, has been so far a major challenge for computer simulations. In this work, we put forward a coarse-grained model of microgels whose structural properties are in quantitative agreement with results obtained with small-angle X-ray scattering experiments across a wide range of temperatures, encompassing the volume phase transition. These results bridge the gap between experiments and simulations of individual microgel particles, paving the way to theoretically address open questions about their bulk properties with unprecedented nano- and microscale resolution. |
format | Online Article Text |
id | pubmed-6812067 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | American
Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-68120672019-10-25 Modeling Microgels with a Controlled Structure across the Volume Phase Transition Ninarello, Andrea Crassous, Jérôme J. Paloli, Divya Camerin, Fabrizio Gnan, Nicoletta Rovigatti, Lorenzo Schurtenberger, Peter Zaccarelli, Emanuela Macromolecules [Image: see text] Thermoresponsive microgels are soft colloids that find widespread use as model systems for soft matter physics. Their complex internal architecture, made of a disordered and heterogeneous polymer network, has been so far a major challenge for computer simulations. In this work, we put forward a coarse-grained model of microgels whose structural properties are in quantitative agreement with results obtained with small-angle X-ray scattering experiments across a wide range of temperatures, encompassing the volume phase transition. These results bridge the gap between experiments and simulations of individual microgel particles, paving the way to theoretically address open questions about their bulk properties with unprecedented nano- and microscale resolution. American Chemical Society 2019-10-01 2019-10-22 /pmc/articles/PMC6812067/ /pubmed/31656322 http://dx.doi.org/10.1021/acs.macromol.9b01122 Text en Copyright © 2019 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes. |
spellingShingle | Ninarello, Andrea Crassous, Jérôme J. Paloli, Divya Camerin, Fabrizio Gnan, Nicoletta Rovigatti, Lorenzo Schurtenberger, Peter Zaccarelli, Emanuela Modeling Microgels with a Controlled Structure across the Volume Phase Transition |
title | Modeling Microgels with a Controlled Structure across
the Volume Phase Transition |
title_full | Modeling Microgels with a Controlled Structure across
the Volume Phase Transition |
title_fullStr | Modeling Microgels with a Controlled Structure across
the Volume Phase Transition |
title_full_unstemmed | Modeling Microgels with a Controlled Structure across
the Volume Phase Transition |
title_short | Modeling Microgels with a Controlled Structure across
the Volume Phase Transition |
title_sort | modeling microgels with a controlled structure across
the volume phase transition |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6812067/ https://www.ncbi.nlm.nih.gov/pubmed/31656322 http://dx.doi.org/10.1021/acs.macromol.9b01122 |
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