Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components

Detalhes bibliográficos
Autor(a) principal: Ferreira, Olga
Data de Publicação: 2003
Outros Autores: Fornari, Tiziana, Brignole, Esteban A., Bottini, Susana B.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10198/2165
Resumo: The group contribution with association equation of state GCA-EOS has been applied to calculate thermodynamic properties of pure compounds and mixtures of carboxylic acids with paraffins, alcohols, water and gases, at low and high pressures. Two associating groups, OH and COOH, were defined. Self- and cross-association in these mixtures were quantified through two parallel COOH/COOH and OH/OH associations. The validity of this approach is supported by an excellent representation of pure compound properties (vapor pressures and compressibility factors) and phase equilibria in mixtures of (associating + inert) and (associating + associating) components at low and high pressures.
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spelling Modeling of association effects in mixtures of carboxylic acids with associating and non-associating componentsAssociationGroup contributionCarboxylic acidsThe group contribution with association equation of state GCA-EOS has been applied to calculate thermodynamic properties of pure compounds and mixtures of carboxylic acids with paraffins, alcohols, water and gases, at low and high pressures. Two associating groups, OH and COOH, were defined. Self- and cross-association in these mixtures were quantified through two parallel COOH/COOH and OH/OH associations. The validity of this approach is supported by an excellent representation of pure compound properties (vapor pressures and compressibility factors) and phase equilibria in mixtures of (associating + inert) and (associating + associating) components at low and high pressures.Universidad Nacional del SurBiblioteca Digital do IPBFerreira, OlgaFornari, TizianaBrignole, Esteban A.Bottini, Susana B.2010-02-25T14:43:20Z20032003-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10198/2165engFerreira, Olga; Fornari, Tiziana; Brignole, Esteban A.; Bottini, Susana B. (2003). Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components. Latin American Applied Research. ISSN 1851-8796. 33:3, p.307-3121851-8796info: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:RCAAP2023-11-21T10:06:03Zoai:bibliotecadigital.ipb.pt:10198/2165Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T22:55:16.104499Repositório 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 Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
title Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
spellingShingle Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
Ferreira, Olga
Association
Group contribution
Carboxylic acids
title_short Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
title_full Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
title_fullStr Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
title_full_unstemmed Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
title_sort Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components
author Ferreira, Olga
author_facet Ferreira, Olga
Fornari, Tiziana
Brignole, Esteban A.
Bottini, Susana B.
author_role author
author2 Fornari, Tiziana
Brignole, Esteban A.
Bottini, Susana B.
author2_role author
author
author
dc.contributor.none.fl_str_mv Biblioteca Digital do IPB
dc.contributor.author.fl_str_mv Ferreira, Olga
Fornari, Tiziana
Brignole, Esteban A.
Bottini, Susana B.
dc.subject.por.fl_str_mv Association
Group contribution
Carboxylic acids
topic Association
Group contribution
Carboxylic acids
description The group contribution with association equation of state GCA-EOS has been applied to calculate thermodynamic properties of pure compounds and mixtures of carboxylic acids with paraffins, alcohols, water and gases, at low and high pressures. Two associating groups, OH and COOH, were defined. Self- and cross-association in these mixtures were quantified through two parallel COOH/COOH and OH/OH associations. The validity of this approach is supported by an excellent representation of pure compound properties (vapor pressures and compressibility factors) and phase equilibria in mixtures of (associating + inert) and (associating + associating) components at low and high pressures.
publishDate 2003
dc.date.none.fl_str_mv 2003
2003-01-01T00:00:00Z
2010-02-25T14:43:20Z
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 http://hdl.handle.net/10198/2165
url http://hdl.handle.net/10198/2165
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Ferreira, Olga; Fornari, Tiziana; Brignole, Esteban A.; Bottini, Susana B. (2003). Modeling of association effects in mixtures of carboxylic acids with associating and non-associating components. Latin American Applied Research. ISSN 1851-8796. 33:3, p.307-312
1851-8796
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Universidad Nacional del Sur
publisher.none.fl_str_mv Universidad Nacional del Sur
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
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