Simulation of polyelectrolyte solutions. The density of bound ions

Detalhes bibliográficos
Autor(a) principal: Sarraguça, J. M. G.
Data de Publicação: 2004
Outros Autores: Pais, A. A. C. C.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/5121
https://doi.org/10.1016/j.cplett.2004.09.042
Resumo: We discuss a simple approach to describe the ion density around a polyelectrolyte chain, quantifying bound and bulk counterions, and allowing for the renormalization of the charge in the polyion. This approach is both physically motivated and readily extensible to systems containing other types of highly charged ions. The method addresses the problem in simulation experiments and allows to correlate ion condensation and compaction.
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spelling Simulation of polyelectrolyte solutions. The density of bound ionsWe discuss a simple approach to describe the ion density around a polyelectrolyte chain, quantifying bound and bulk counterions, and allowing for the renormalization of the charge in the polyion. This approach is both physically motivated and readily extensible to systems containing other types of highly charged ions. The method addresses the problem in simulation experiments and allows to correlate ion condensation and compaction.http://www.sciencedirect.com/science/article/B6TFN-4DGDCY6-9/1/14f30c4cf6f0da32c52c85dc2c1889722004info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5121http://hdl.handle.net/10316/5121https://doi.org/10.1016/j.cplett.2004.09.042engChemical Physics Letters. 398:1-3 (2004) 140-145Sarraguça, J. M. G.Pais, A. A. C. C.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2020-11-06T16:48:56Zoai:estudogeral.uc.pt:10316/5121Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:28.919318Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Simulation of polyelectrolyte solutions. The density of bound ions
title Simulation of polyelectrolyte solutions. The density of bound ions
spellingShingle Simulation of polyelectrolyte solutions. The density of bound ions
Sarraguça, J. M. G.
title_short Simulation of polyelectrolyte solutions. The density of bound ions
title_full Simulation of polyelectrolyte solutions. The density of bound ions
title_fullStr Simulation of polyelectrolyte solutions. The density of bound ions
title_full_unstemmed Simulation of polyelectrolyte solutions. The density of bound ions
title_sort Simulation of polyelectrolyte solutions. The density of bound ions
author Sarraguça, J. M. G.
author_facet Sarraguça, J. M. G.
Pais, A. A. C. C.
author_role author
author2 Pais, A. A. C. C.
author2_role author
dc.contributor.author.fl_str_mv Sarraguça, J. M. G.
Pais, A. A. C. C.
description We discuss a simple approach to describe the ion density around a polyelectrolyte chain, quantifying bound and bulk counterions, and allowing for the renormalization of the charge in the polyion. This approach is both physically motivated and readily extensible to systems containing other types of highly charged ions. The method addresses the problem in simulation experiments and allows to correlate ion condensation and compaction.
publishDate 2004
dc.date.none.fl_str_mv 2004
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10316/5121
http://hdl.handle.net/10316/5121
https://doi.org/10.1016/j.cplett.2004.09.042
url http://hdl.handle.net/10316/5121
https://doi.org/10.1016/j.cplett.2004.09.042
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Chemical Physics Letters. 398:1-3 (2004) 140-145
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eu_rights_str_mv openAccess
dc.format.none.fl_str_mv aplication/PDF
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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