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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...

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Autores principales: Ninarello, Andrea, Crassous, Jérôme J., Paloli, Divya, Camerin, Fabrizio, Gnan, Nicoletta, Rovigatti, Lorenzo, Schurtenberger, Peter, Zaccarelli, Emanuela
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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.
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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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