Publicação
Extension of UNIFAC to associating systems
| Resumo: | An extended UNIFAC group contribution model for the prediction of activity coefficients in associating mixtures was presented recently (Mengarelli et al.,1999). In the present work the model is applied to solutions containing alcohols, water, carboxylic acids and inert components. The residual UNIFAC local composition term is re-parameterized in order to take into account only dispersive forces between associating and inert functional groups. Good representation of vapor-liquid and liquid-liquid equilibrium, as well as infinite dilution activity coefficients is achieved by using a single set of group interaction parameters. |
|---|---|
| Autores principais: | Foco, Gloria |
| Outros Autores: | Ferreira, Olga; Brignole, Esteban A.; Bottini, Susana B. |
| Assunto: | Activity coefficient Association Group contribution |
| Ano: | 2001 |
| País: | Portugal |
| Tipo de documento: | comunicação em conferência |
| Tipo de acesso: | acesso restrito |
| Instituição associada: | Instituto Politécnico de Bragança |
| Idioma: | inglês |
| Origem: | Biblioteca Digital do IPB |
| _version_ | 1867173367686103040 |
|---|---|
| author | Foco, Gloria |
| author2 | Ferreira, Olga Brignole, Esteban A. Bottini, Susana B. |
| author2_role | author author author |
| author_facet | Foco, Gloria Ferreira, Olga Brignole, Esteban A. Bottini, Susana B. |
| author_role | author |
| contributor_name_str_mv | Biblioteca Digital do IPB |
| country_str | PT |
| creators_json_txt | [{\"Person.name\":\"Foco, Gloria\"},{\"Person.name\":\"Ferreira, Olga\",\"Person.identifier.orcid\":\"0000-0001-8414-3479\"},{\"Person.name\":\"Brignole, Esteban A.\"},{\"Person.name\":\"Bottini, Susana B.\"}] |
| datacite.contributors.contributor.contributorName.fl_str_mv | Biblioteca Digital do IPB |
| datacite.creators.creator.creatorName.fl_str_mv | Foco, Gloria Ferreira, Olga Brignole, Esteban A. Bottini, Susana B. |
| datacite.date.Accepted.fl_str_mv | 2001-01-01T00:00:00Z |
| datacite.date.available.fl_str_mv | 2010-02-25T14:48:36Z |
| datacite.date.embargoed.fl_str_mv | 2010-02-25T14:48:36Z |
| datacite.rights.fl_str_mv | http://purl.org/coar/access_right/c_16ec |
| datacite.subjects.subject.fl_str_mv | Activity coefficient Association Group contribution |
| datacite.titles.title.fl_str_mv | Extension of UNIFAC to associating systems |
| dc.contributor.none.fl_str_mv | Biblioteca Digital do IPB |
| dc.creator.none.fl_str_mv | Foco, Gloria Ferreira, Olga Brignole, Esteban A. Bottini, Susana B. |
| dc.date.Accepted.fl_str_mv | 2001-01-01T00:00:00Z |
| dc.date.available.fl_str_mv | 2010-02-25T14:48:36Z |
| dc.date.embargoed.fl_str_mv | 2010-02-25T14:48:36Z |
| dc.format.none.fl_str_mv | application/pdf application/pdf |
| dc.identifier.none.fl_str_mv | http://hdl.handle.net/10198/2166 |
| dc.language.none.fl_str_mv | eng |
| dc.rights.none.fl_str_mv | http://purl.org/coar/access_right/c_16ec |
| dc.subject.none.fl_str_mv | Activity coefficient Association Group contribution |
| dc.title.fl_str_mv | Extension of UNIFAC to associating systems |
| dc.type.none.fl_str_mv | http://purl.org/coar/resource_type/c_5794 |
| description | An extended UNIFAC group contribution model for the prediction of activity coefficients in associating mixtures was presented recently (Mengarelli et al.,1999). In the present work the model is applied to solutions containing alcohols, water, carboxylic acids and inert components. The residual UNIFAC local composition term is re-parameterized in order to take into account only dispersive forces between associating and inert functional groups. Good representation of vapor-liquid and liquid-liquid equilibrium, as well as infinite dilution activity coefficients is achieved by using a single set of group interaction parameters. |
| dirty | 0 |
| eu_rights_str_mv | restrictedAccess |
| format | conferencePaper |
| fulltext.url.fl_str_mv | https://bibliotecadigital.ipb.pt/bitstreams/f825da5d-ac51-4dc5-a491-43beb52cacaf/download |
| id | ipb_bb7dee74cd70cb4c63d3f2fdde402b29 |
| identifier.url.fl_str_mv | http://hdl.handle.net/10198/2166 |
| instacron_str | ipb |
| institution | Instituto Politécnico de Bragança |
| instname_str | Instituto Politécnico de Bragança |
| language | eng |
| network_acronym_str | ipb |
| network_name_str | Biblioteca Digital do IPB |
| oai_identifier_str | oai:bibliotecadigital.ipb.pt:10198/2166 |
| organization_str_mv | urn:organizationAcronym:ipb |
| person_str_mv | Foco, Gloria Ferreira, Olga Ferreira, Olga https://www.ciencia-id.pt/9F1D-C75A-4A54 9F1D-C75A-4A54 http://orcid.org/0000-0001-8414-3479 0000-0001-8414-3479 Brignole, Esteban A. Bottini, Susana B. |
| publishDate | 2001 |
| reponame_str | Biblioteca Digital do IPB |
| repository_id_str | urn:repositoryAcronym:ipb |
| service_str_mv | urn:repositoryAcronym:ipb |
| spelling | engptAn extended UNIFAC group contribution model for the prediction of activity coefficients in associating mixtures was presented recently (Mengarelli et al.,1999). In the present work the model is applied to solutions containing alcohols, water, carboxylic acids and inert components. The residual UNIFAC local composition term is re-parameterized in order to take into account only dispersive forces between associating and inert functional groups. Good representation of vapor-liquid and liquid-liquid equilibrium, as well as infinite dilution activity coefficients is achieved by using a single set of group interaction parameters.application/pdfapplication/pdfptExtension of UNIFAC to associating systemsFoco, GloriaPersonalFerreira, OlgaDSpacehttp://dspace.org/items/59e0c608-0c21-4191-af5e-529d21970399DSpacehttp://dspace.org/items/59e0c608-0c21-4191-af5e-529d21970399FerreiraOlgaCiência IDhttps://www.ciencia-id.pt9F1D-C75A-4A54ORCIDhttp://orcid.org0000-0001-8414-3479Researcher IDhttps://www.researcherid.comM-4567-2013Scopus Author IDhttps://www.scopus.com57203083219Brignole, Esteban A.Bottini, Susana B.HostingInstitutionOrganizationalBiblioteca Digital do IPBe-mailmailto:dspace@ipb.ptdspace@ipb.pt2010-02-25T14:48:36Z20012001-01-01T00:00:00ZHandlehttp://hdl.handle.net/10198/2166http://purl.org/coar/access_right/c_16ecrestricted accessActivity coefficientAssociationGroup contribution57126 bytes11322 bytesother research producthttp://purl.org/coar/resource_type/c_5794conference paperhttp://purl.org/coar/access_right/c_16ecapplication/pdffulltexthttps://bibliotecadigital.ipb.pt/bitstreams/f825da5d-ac51-4dc5-a491-43beb52cacaf/downloadhttp://purl.org/coar/access_right/c_16ecapplication/pdffulltexthttps://bibliotecadigital.ipb.pt/bitstreams/8c6341e9-f7aa-44c8-8885-7f002cdbfe60/downloadProceedings of 1st Mercosur Congress on Chemical Engineering - ENPROMER625630Santa Fé, USA |
| spellingShingle | Extension of UNIFAC to associating systems Foco, Gloria Activity coefficient Association Group contribution |
| status | SINGLETON |
| subject.fl_str_mv | Activity coefficient Association Group contribution |
| title | Extension of UNIFAC to associating systems |
| title_full | Extension of UNIFAC to associating systems |
| title_fullStr | Extension of UNIFAC to associating systems |
| title_full_unstemmed | Extension of UNIFAC to associating systems |
| title_short | Extension of UNIFAC to associating systems |
| title_sort | Extension of UNIFAC to associating systems |
| topic | Activity coefficient Association Group contribution |
| topic_facet | Activity coefficient Association Group contribution |
| url | http://hdl.handle.net/10198/2166 |
| visible | 1 |