Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route
Autor(a) principal: | |
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Data de Publicação: | 2012 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/205068 |
Resumo: | The thermodynamic properties of highly charged colloidal suspensions in contact with a salt reservoir are investigated in the framework of the renormalized Jellium model (RJM). It is found that the equation of state is very sensitive to the particular thermodynamic route used to obtain it. Specifically, the osmotic pressure calculated within the RJM using the contact value theorem can be very different from the pressure calculated using the Kirkwood-Buff fluctuation relations. On the other hand, Monte Carlo simulations show that both the effective pair potentials and the correlation functions are accurately predicted by the RJM. It is suggested that the lack of self-consistency in the thermodynamics of the RJM is a result of neglected electrostatic correlations between the counterions and coions. |
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Colla, Thiago EscobarSantos, Alexandre Pereira dosLevin, Yan2020-01-30T04:09:11Z20120021-9606http://hdl.handle.net/10183/205068000867599The thermodynamic properties of highly charged colloidal suspensions in contact with a salt reservoir are investigated in the framework of the renormalized Jellium model (RJM). It is found that the equation of state is very sensitive to the particular thermodynamic route used to obtain it. Specifically, the osmotic pressure calculated within the RJM using the contact value theorem can be very different from the pressure calculated using the Kirkwood-Buff fluctuation relations. On the other hand, Monte Carlo simulations show that both the effective pair potentials and the correlation functions are accurately predicted by the RJM. It is suggested that the lack of self-consistency in the thermodynamics of the RJM is a result of neglected electrostatic correlations between the counterions and coions.application/pdfengThe journal of chemical physics. New York. Vol. 136, no. 19 (May 2012), 194103, 7 p.Equações de estadoColóidesSuspensoesMétodo de Monte CarloJelliumTermodinâmicaEquation of state of charged colloidal suspensions and its dependence on the thermodynamic routeEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSTEXT000867599.pdf.txt000867599.pdf.txtExtracted Texttext/plain41617http://www.lume.ufrgs.br/bitstream/10183/205068/2/000867599.pdf.txt341767d6e206a32ea546db0465aad181MD52ORIGINAL000867599.pdfTexto completo (inglês)application/pdf669284http://www.lume.ufrgs.br/bitstream/10183/205068/1/000867599.pdf263d80f1ebcd627f4ffbf2d0d6808ec8MD5110183/2050682023-06-14 03:28:52.556458oai:www.lume.ufrgs.br:10183/205068Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2023-06-14T06:28:52Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route |
title |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route |
spellingShingle |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route Colla, Thiago Escobar Equações de estado Colóides Suspensoes Método de Monte Carlo Jellium Termodinâmica |
title_short |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route |
title_full |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route |
title_fullStr |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route |
title_full_unstemmed |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route |
title_sort |
Equation of state of charged colloidal suspensions and its dependence on the thermodynamic route |
author |
Colla, Thiago Escobar |
author_facet |
Colla, Thiago Escobar Santos, Alexandre Pereira dos Levin, Yan |
author_role |
author |
author2 |
Santos, Alexandre Pereira dos Levin, Yan |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Colla, Thiago Escobar Santos, Alexandre Pereira dos Levin, Yan |
dc.subject.por.fl_str_mv |
Equações de estado Colóides Suspensoes Método de Monte Carlo Jellium Termodinâmica |
topic |
Equações de estado Colóides Suspensoes Método de Monte Carlo Jellium Termodinâmica |
description |
The thermodynamic properties of highly charged colloidal suspensions in contact with a salt reservoir are investigated in the framework of the renormalized Jellium model (RJM). It is found that the equation of state is very sensitive to the particular thermodynamic route used to obtain it. Specifically, the osmotic pressure calculated within the RJM using the contact value theorem can be very different from the pressure calculated using the Kirkwood-Buff fluctuation relations. On the other hand, Monte Carlo simulations show that both the effective pair potentials and the correlation functions are accurately predicted by the RJM. It is suggested that the lack of self-consistency in the thermodynamics of the RJM is a result of neglected electrostatic correlations between the counterions and coions. |
publishDate |
2012 |
dc.date.issued.fl_str_mv |
2012 |
dc.date.accessioned.fl_str_mv |
2020-01-30T04:09:11Z |
dc.type.driver.fl_str_mv |
Estrangeiro info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10183/205068 |
dc.identifier.issn.pt_BR.fl_str_mv |
0021-9606 |
dc.identifier.nrb.pt_BR.fl_str_mv |
000867599 |
identifier_str_mv |
0021-9606 000867599 |
url |
http://hdl.handle.net/10183/205068 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
The journal of chemical physics. New York. Vol. 136, no. 19 (May 2012), 194103, 7 p. |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
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application/pdf |
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UFRGS |
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Repositório Institucional da UFRGS |
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Repositório Institucional da UFRGS |
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