Crowded solutions of single-chain nanoparticles under shear flow

Single-chain nanoparticles (SCNPs) are ultrasoft objects obtained through purely intramolecular cross-linking of single polymer chains. By means of computer simulations with implemented hydrodynamic interactions, we investigate for the first time the effect of the shear flow on the structural and dy...

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Detalles Bibliográficos
Autores: Formanek, Maud, Moreno Segurado, Ángel J.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2021
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/244444
Acceso en línea:http://hdl.handle.net/10261/244444
Access Level:acceso abierto
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spelling Crowded solutions of single-chain nanoparticles under shear flowFormanek, MaudMoreno Segurado, Ángel J.Single-chain nanoparticles (SCNPs) are ultrasoft objects obtained through purely intramolecular cross-linking of single polymer chains. By means of computer simulations with implemented hydrodynamic interactions, we investigate for the first time the effect of the shear flow on the structural and dynamic properties of SCNPs in semidilute and concentrated solutions. We characterize the dependence of several conformational and dynamic observables on the shear rate and the concentration, obtaining a set of power-law scaling laws. The concentration has a very different effect on the shear rate dependence of the former observables in SCNPs than in simple linear chains. Whereas for the latter the scaling behaviour is marginally dependent on the concentration, two clearly different scaling regimes are found for the SCNPs below and above the overlap concentration. At fixed shear rate SCNPs and linear chains also respond very differently to crowding. Whereas, at moderate and high Weissenberg numbers the linear chains swell, the SCNPs exhibit a complex non-monotonic behaviour. We suggest that these findings are inherently related to the topological interactions preventing concatenation of the SCNPs, which lead to less interpenetration than for linear chains, and to the limitation to stretching imposed by the permanent cross-links in the SCNPs, which itself limits the ways to spatially arrange in the shear flow.We acknowledge support from the projects PGC2018-094548-BI00 (MCIU/AEI/FEDER, UE) and IT-1175-19 (Basque Government, Spain).We acknowledge support of the publication fee by the CSIC Open Access Publication Support Initiative through its Unit of Information Resources for Research (URICI).Peer reviewedRoyal Society of Chemistry (UK)Ministerio de Ciencia, Innovación y Universidades (España)Eusko JaurlaritzaEuropean CommissionAgencia Estatal de Investigación (España)CSIC - Unidad de Recursos de Información Científica para la Investigación (URICI)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202120212021info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/244444reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-094548-BI00PGC2018-094548-BI00/AEI/10.13039/501100011033https://doi.org/10.1039/D0SM01978JSíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2444442026-05-22T06:33:51Z
dc.title.none.fl_str_mv Crowded solutions of single-chain nanoparticles under shear flow
title Crowded solutions of single-chain nanoparticles under shear flow
spellingShingle Crowded solutions of single-chain nanoparticles under shear flow
Formanek, Maud
title_short Crowded solutions of single-chain nanoparticles under shear flow
title_full Crowded solutions of single-chain nanoparticles under shear flow
title_fullStr Crowded solutions of single-chain nanoparticles under shear flow
title_full_unstemmed Crowded solutions of single-chain nanoparticles under shear flow
title_sort Crowded solutions of single-chain nanoparticles under shear flow
dc.creator.none.fl_str_mv Formanek, Maud
Moreno Segurado, Ángel J.
author Formanek, Maud
author_facet Formanek, Maud
Moreno Segurado, Ángel J.
author_role author
author2 Moreno Segurado, Ángel J.
author2_role author
dc.contributor.none.fl_str_mv Ministerio de Ciencia, Innovación y Universidades (España)
Eusko Jaurlaritza
European Commission
Agencia Estatal de Investigación (España)
CSIC - Unidad de Recursos de Información Científica para la Investigación (URICI)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description Single-chain nanoparticles (SCNPs) are ultrasoft objects obtained through purely intramolecular cross-linking of single polymer chains. By means of computer simulations with implemented hydrodynamic interactions, we investigate for the first time the effect of the shear flow on the structural and dynamic properties of SCNPs in semidilute and concentrated solutions. We characterize the dependence of several conformational and dynamic observables on the shear rate and the concentration, obtaining a set of power-law scaling laws. The concentration has a very different effect on the shear rate dependence of the former observables in SCNPs than in simple linear chains. Whereas for the latter the scaling behaviour is marginally dependent on the concentration, two clearly different scaling regimes are found for the SCNPs below and above the overlap concentration. At fixed shear rate SCNPs and linear chains also respond very differently to crowding. Whereas, at moderate and high Weissenberg numbers the linear chains swell, the SCNPs exhibit a complex non-monotonic behaviour. We suggest that these findings are inherently related to the topological interactions preventing concatenation of the SCNPs, which lead to less interpenetration than for linear chains, and to the limitation to stretching imposed by the permanent cross-links in the SCNPs, which itself limits the ways to spatially arrange in the shear flow.
publishDate 2021
dc.date.none.fl_str_mv 2021
2021
2021
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/244444
url http://hdl.handle.net/10261/244444
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-094548-BI00
PGC2018-094548-BI00/AEI/10.13039/501100011033
https://doi.org/10.1039/D0SM01978J
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Royal Society of Chemistry (UK)
publisher.none.fl_str_mv Royal Society of Chemistry (UK)
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
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