pK Determination. A Mean Field, Poisson-Boltzmann Approach

Detalhes bibliográficos
Autor(a) principal: Neto, Augusto Agostinho [UNESP]
Data de Publicação: 1999
Outros Autores: Drigo Filho, Elso [UNESP], Fossey, Marcelo Andres [UNESP], Neto, João Ruggiero [UNESP]
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://hdl.handle.net/11449/224382
Resumo: A model describing dissociation of monoprotonic acid and a method for the determination of its pK value are presented. The model is based on a mean field approximation. The Poisson-Boltzmann equation, adopting spherical symmetry, is numerically solved, and the solution of its linearized form is written. By use of the pH values of a dilution experiment of galacturonic acid as the entry data, the proposed method allowed estimation of the value of pK = 3.25 at a temperature of 25°C. Values for the complex dimensions and dissociation degree are calculated using experimental pH values for solution concentration values ranging from 0.1 to 60 mM. The present analysis leads to the conclusion that the Poisson-Boltzmann equation or its linear form is equally suited for the description of such systems.
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spelling pK Determination. A Mean Field, Poisson-Boltzmann ApproachA model describing dissociation of monoprotonic acid and a method for the determination of its pK value are presented. The model is based on a mean field approximation. The Poisson-Boltzmann equation, adopting spherical symmetry, is numerically solved, and the solution of its linearized form is written. By use of the pH values of a dilution experiment of galacturonic acid as the entry data, the proposed method allowed estimation of the value of pK = 3.25 at a temperature of 25°C. Values for the complex dimensions and dissociation degree are calculated using experimental pH values for solution concentration values ranging from 0.1 to 60 mM. The present analysis leads to the conclusion that the Poisson-Boltzmann equation or its linear form is equally suited for the description of such systems.Depto. de Fis. Inst. de Biociencias Letras e Ciências Exatas UNESP 2265, Jd. Nazareth, 15054-000-R. Cristovão Colombo, Sao Jose do Rio Preto, SPDepto. de Fis. Inst. de Biociencias Letras e Ciências Exatas UNESP 2265, Jd. Nazareth, 15054-000-R. Cristovão Colombo, Sao Jose do Rio Preto, SPUniversidade Estadual Paulista (UNESP)Neto, Augusto Agostinho [UNESP]Drigo Filho, Elso [UNESP]Fossey, Marcelo Andres [UNESP]Neto, João Ruggiero [UNESP]2022-04-28T19:56:10Z2022-04-28T19:56:10Z1999-08-12info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article6809-6814Journal of Physical Chemistry B, v. 103, n. 32, p. 6809-6814, 1999.1089-5647http://hdl.handle.net/11449/2243822-s2.0-0342675413Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal of Physical Chemistry Binfo:eu-repo/semantics/openAccess2022-04-28T19:56:10Zoai:repositorio.unesp.br:11449/224382Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462022-04-28T19:56:10Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv pK Determination. A Mean Field, Poisson-Boltzmann Approach
title pK Determination. A Mean Field, Poisson-Boltzmann Approach
spellingShingle pK Determination. A Mean Field, Poisson-Boltzmann Approach
Neto, Augusto Agostinho [UNESP]
title_short pK Determination. A Mean Field, Poisson-Boltzmann Approach
title_full pK Determination. A Mean Field, Poisson-Boltzmann Approach
title_fullStr pK Determination. A Mean Field, Poisson-Boltzmann Approach
title_full_unstemmed pK Determination. A Mean Field, Poisson-Boltzmann Approach
title_sort pK Determination. A Mean Field, Poisson-Boltzmann Approach
author Neto, Augusto Agostinho [UNESP]
author_facet Neto, Augusto Agostinho [UNESP]
Drigo Filho, Elso [UNESP]
Fossey, Marcelo Andres [UNESP]
Neto, João Ruggiero [UNESP]
author_role author
author2 Drigo Filho, Elso [UNESP]
Fossey, Marcelo Andres [UNESP]
Neto, João Ruggiero [UNESP]
author2_role author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (UNESP)
dc.contributor.author.fl_str_mv Neto, Augusto Agostinho [UNESP]
Drigo Filho, Elso [UNESP]
Fossey, Marcelo Andres [UNESP]
Neto, João Ruggiero [UNESP]
description A model describing dissociation of monoprotonic acid and a method for the determination of its pK value are presented. The model is based on a mean field approximation. The Poisson-Boltzmann equation, adopting spherical symmetry, is numerically solved, and the solution of its linearized form is written. By use of the pH values of a dilution experiment of galacturonic acid as the entry data, the proposed method allowed estimation of the value of pK = 3.25 at a temperature of 25°C. Values for the complex dimensions and dissociation degree are calculated using experimental pH values for solution concentration values ranging from 0.1 to 60 mM. The present analysis leads to the conclusion that the Poisson-Boltzmann equation or its linear form is equally suited for the description of such systems.
publishDate 1999
dc.date.none.fl_str_mv 1999-08-12
2022-04-28T19:56:10Z
2022-04-28T19:56:10Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv Journal of Physical Chemistry B, v. 103, n. 32, p. 6809-6814, 1999.
1089-5647
http://hdl.handle.net/11449/224382
2-s2.0-0342675413
identifier_str_mv Journal of Physical Chemistry B, v. 103, n. 32, p. 6809-6814, 1999.
1089-5647
2-s2.0-0342675413
url http://hdl.handle.net/11449/224382
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Journal of Physical Chemistry B
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 6809-6814
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
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