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DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science

This review article is addressed to a broad community of polymer scientists. We outline and analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from the point of view of polymer physics and review the articles on polymer systems published in approximately the last t...

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Detalles Bibliográficos
Autores principales: Procházka, Karel, Limpouchová, Zuzana, Štěpánek, Miroslav, Šindelka, Karel, Lísal, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8838752/
https://www.ncbi.nlm.nih.gov/pubmed/35160394
http://dx.doi.org/10.3390/polym14030404
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author Procházka, Karel
Limpouchová, Zuzana
Štěpánek, Miroslav
Šindelka, Karel
Lísal, Martin
author_facet Procházka, Karel
Limpouchová, Zuzana
Štěpánek, Miroslav
Šindelka, Karel
Lísal, Martin
author_sort Procházka, Karel
collection PubMed
description This review article is addressed to a broad community of polymer scientists. We outline and analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from the point of view of polymer physics and review the articles on polymer systems published in approximately the last two decades, focusing on their impact on macromolecular science. Special attention is devoted to polymer and polyelectrolyte self- and co-assembly and self-organisation and to the problems connected with the implementation of explicit electrostatics in DPD numerical machinery. Critical analysis of the results of a number of successful DPD studies of complex polymer systems published recently documents the importance and suitability of this coarse-grained method for studying polymer systems.
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spelling pubmed-88387522022-02-13 DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science Procházka, Karel Limpouchová, Zuzana Štěpánek, Miroslav Šindelka, Karel Lísal, Martin Polymers (Basel) Review This review article is addressed to a broad community of polymer scientists. We outline and analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from the point of view of polymer physics and review the articles on polymer systems published in approximately the last two decades, focusing on their impact on macromolecular science. Special attention is devoted to polymer and polyelectrolyte self- and co-assembly and self-organisation and to the problems connected with the implementation of explicit electrostatics in DPD numerical machinery. Critical analysis of the results of a number of successful DPD studies of complex polymer systems published recently documents the importance and suitability of this coarse-grained method for studying polymer systems. MDPI 2022-01-20 /pmc/articles/PMC8838752/ /pubmed/35160394 http://dx.doi.org/10.3390/polym14030404 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Procházka, Karel
Limpouchová, Zuzana
Štěpánek, Miroslav
Šindelka, Karel
Lísal, Martin
DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science
title DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science
title_full DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science
title_fullStr DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science
title_full_unstemmed DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science
title_short DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science
title_sort dpd modelling of the self- and co-assembly of polymers and polyelectrolytes in aqueous media: impact on polymer science
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8838752/
https://www.ncbi.nlm.nih.gov/pubmed/35160394
http://dx.doi.org/10.3390/polym14030404
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