Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils
Autor(a) principal: | |
---|---|
Data de Publicação: | 2015 |
Outros Autores: | , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRN |
Texto Completo: | https://repositorio.ufrn.br/handle/123456789/45018 |
Resumo: | Thermodynamic properties, in particular vapor–liquid equilibrium (VLE) data, are required for the development of reliable predictive models for systems with fatty compounds. Isothermal VLE data have been measured for mixtures of methanol, ethanol, or n-hexane with refined vegetable oils (soybean, sunflower and rapeseed) at 348.15 K and 373.15 K using a computer-driven static apparatus. The oils were characterized in terms of their fatty acid and corresponding triacylglycerol (TAG) compositions. For the mixtures containing vegetable oils and n-hexane a negative deviation from Raoult’s law was observed and a homogeneous behavior (no miscibility gap) was found, while the mixtures with alcohols exhibited positive deviation from ideal behavior and, in some cases, limited miscibility. On the basis of the composition of the studied vegetable oils, their relative van der Waals volume and surface area parameters were estimated by the Bondi method and their vapor pressure by a group contribution method developed by Ceriani and Meirelles [1]. The experimental VLE data were correlated together with available excess enthalpies (HE) and activity coefficients at infinite dilution (gi1) data using the UNIQUAC model. For the fitting process the refined vegetable oil was treated as a single triacylglycerol (pseudo-component) which has the corresponding degree of unsaturation, number of carbon atoms and molar mass of the original oil composition. The overall-average errors (AAE) using UNIQUAC model are 4.46% for VLE, 7.07% for gi1 and 5.80% for HE The experimental data were also compared with the predicted results using mod. UNIFAC (Dortmund) and an extension of this method proposed for triacylglycerols in a previous work was also tested |
id |
UFRN_b7fd95a10f4b5c4b7dd0a5a121bae7c0 |
---|---|
oai_identifier_str |
oai:https://repositorio.ufrn.br:123456789/45018 |
network_acronym_str |
UFRN |
network_name_str |
Repositório Institucional da UFRN |
repository_id_str |
|
spelling |
Chiavone Filho, OsvaldoBelting, Patrícia CastroGmehling, JürgenBölts, RainerRarey, JürgenCeriani, RobertaMeirelles, Antonio José de Almeida2021-11-25T13:40:49Z2021-11-25T13:40:49Z2015-06-15BELTING, Patrícia C.; GMEHLING, Jürgen; BÖLTS, Rainer; RAREY, Jürgen; CERIANI, Roberta; CHIAVONE FILHO, Osvaldo; MEIRELLES, Antonio J.A.. Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils. Fluid Phase Equilibria, [S.L.], v. 395, p. 15-25, jun. 2015. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0378381215001119?via%3Dihub. Acesso em: 06 jul. 2021. https://doi.org/10.1016/j.fluid.2015.03.009.0378-3812https://repositorio.ufrn.br/handle/123456789/4501810.1016/j.fluid.2015.03.009ElsevierVapor–liquid equilibriumVegetable oilsUNIQUACModified UNIFAC (Dortmund)Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oilsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleThermodynamic properties, in particular vapor–liquid equilibrium (VLE) data, are required for the development of reliable predictive models for systems with fatty compounds. Isothermal VLE data have been measured for mixtures of methanol, ethanol, or n-hexane with refined vegetable oils (soybean, sunflower and rapeseed) at 348.15 K and 373.15 K using a computer-driven static apparatus. The oils were characterized in terms of their fatty acid and corresponding triacylglycerol (TAG) compositions. For the mixtures containing vegetable oils and n-hexane a negative deviation from Raoult’s law was observed and a homogeneous behavior (no miscibility gap) was found, while the mixtures with alcohols exhibited positive deviation from ideal behavior and, in some cases, limited miscibility. On the basis of the composition of the studied vegetable oils, their relative van der Waals volume and surface area parameters were estimated by the Bondi method and their vapor pressure by a group contribution method developed by Ceriani and Meirelles [1]. The experimental VLE data were correlated together with available excess enthalpies (HE) and activity coefficients at infinite dilution (gi1) data using the UNIQUAC model. For the fitting process the refined vegetable oil was treated as a single triacylglycerol (pseudo-component) which has the corresponding degree of unsaturation, number of carbon atoms and molar mass of the original oil composition. The overall-average errors (AAE) using UNIQUAC model are 4.46% for VLE, 7.07% for gi1 and 5.80% for HE The experimental data were also compared with the predicted results using mod. UNIFAC (Dortmund) and an extension of this method proposed for triacylglycerols in a previous work was also testedengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNinfo:eu-repo/semantics/openAccessLICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/45018/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/45018/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52123456789/450182023-02-06 15:46:29.712oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2023-02-06T18:46:29Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false |
dc.title.pt_BR.fl_str_mv |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils |
title |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils |
spellingShingle |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils Chiavone Filho, Osvaldo Vapor–liquid equilibrium Vegetable oils UNIQUAC Modified UNIFAC (Dortmund) |
title_short |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils |
title_full |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils |
title_fullStr |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils |
title_full_unstemmed |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils |
title_sort |
Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils |
author |
Chiavone Filho, Osvaldo |
author_facet |
Chiavone Filho, Osvaldo Belting, Patrícia Castro Gmehling, Jürgen Bölts, Rainer Rarey, Jürgen Ceriani, Roberta Meirelles, Antonio José de Almeida |
author_role |
author |
author2 |
Belting, Patrícia Castro Gmehling, Jürgen Bölts, Rainer Rarey, Jürgen Ceriani, Roberta Meirelles, Antonio José de Almeida |
author2_role |
author author author author author author |
dc.contributor.author.fl_str_mv |
Chiavone Filho, Osvaldo Belting, Patrícia Castro Gmehling, Jürgen Bölts, Rainer Rarey, Jürgen Ceriani, Roberta Meirelles, Antonio José de Almeida |
dc.subject.por.fl_str_mv |
Vapor–liquid equilibrium Vegetable oils UNIQUAC Modified UNIFAC (Dortmund) |
topic |
Vapor–liquid equilibrium Vegetable oils UNIQUAC Modified UNIFAC (Dortmund) |
description |
Thermodynamic properties, in particular vapor–liquid equilibrium (VLE) data, are required for the development of reliable predictive models for systems with fatty compounds. Isothermal VLE data have been measured for mixtures of methanol, ethanol, or n-hexane with refined vegetable oils (soybean, sunflower and rapeseed) at 348.15 K and 373.15 K using a computer-driven static apparatus. The oils were characterized in terms of their fatty acid and corresponding triacylglycerol (TAG) compositions. For the mixtures containing vegetable oils and n-hexane a negative deviation from Raoult’s law was observed and a homogeneous behavior (no miscibility gap) was found, while the mixtures with alcohols exhibited positive deviation from ideal behavior and, in some cases, limited miscibility. On the basis of the composition of the studied vegetable oils, their relative van der Waals volume and surface area parameters were estimated by the Bondi method and their vapor pressure by a group contribution method developed by Ceriani and Meirelles [1]. The experimental VLE data were correlated together with available excess enthalpies (HE) and activity coefficients at infinite dilution (gi1) data using the UNIQUAC model. For the fitting process the refined vegetable oil was treated as a single triacylglycerol (pseudo-component) which has the corresponding degree of unsaturation, number of carbon atoms and molar mass of the original oil composition. The overall-average errors (AAE) using UNIQUAC model are 4.46% for VLE, 7.07% for gi1 and 5.80% for HE The experimental data were also compared with the predicted results using mod. UNIFAC (Dortmund) and an extension of this method proposed for triacylglycerols in a previous work was also tested |
publishDate |
2015 |
dc.date.issued.fl_str_mv |
2015-06-15 |
dc.date.accessioned.fl_str_mv |
2021-11-25T13:40:49Z |
dc.date.available.fl_str_mv |
2021-11-25T13:40:49Z |
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.citation.fl_str_mv |
BELTING, Patrícia C.; GMEHLING, Jürgen; BÖLTS, Rainer; RAREY, Jürgen; CERIANI, Roberta; CHIAVONE FILHO, Osvaldo; MEIRELLES, Antonio J.A.. Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils. Fluid Phase Equilibria, [S.L.], v. 395, p. 15-25, jun. 2015. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0378381215001119?via%3Dihub. Acesso em: 06 jul. 2021. https://doi.org/10.1016/j.fluid.2015.03.009. |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufrn.br/handle/123456789/45018 |
dc.identifier.issn.none.fl_str_mv |
0378-3812 |
dc.identifier.doi.none.fl_str_mv |
10.1016/j.fluid.2015.03.009 |
identifier_str_mv |
BELTING, Patrícia C.; GMEHLING, Jürgen; BÖLTS, Rainer; RAREY, Jürgen; CERIANI, Roberta; CHIAVONE FILHO, Osvaldo; MEIRELLES, Antonio J.A.. Measurement, correlation and prediction of isothermal vapor–liquid equilibria of different systems containing vegetable oils. Fluid Phase Equilibria, [S.L.], v. 395, p. 15-25, jun. 2015. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0378381215001119?via%3Dihub. Acesso em: 06 jul. 2021. https://doi.org/10.1016/j.fluid.2015.03.009. 0378-3812 10.1016/j.fluid.2015.03.009 |
url |
https://repositorio.ufrn.br/handle/123456789/45018 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
Elsevier |
publisher.none.fl_str_mv |
Elsevier |
dc.source.none.fl_str_mv |
reponame:Repositório Institucional da UFRN instname:Universidade Federal do Rio Grande do Norte (UFRN) instacron:UFRN |
instname_str |
Universidade Federal do Rio Grande do Norte (UFRN) |
instacron_str |
UFRN |
institution |
UFRN |
reponame_str |
Repositório Institucional da UFRN |
collection |
Repositório Institucional da UFRN |
bitstream.url.fl_str_mv |
https://repositorio.ufrn.br/bitstream/123456789/45018/3/license.txt https://repositorio.ufrn.br/bitstream/123456789/45018/2/license_rdf |
bitstream.checksum.fl_str_mv |
e9597aa2854d128fd968be5edc8a28d9 4d2950bda3d176f570a9f8b328dfbbef |
bitstream.checksumAlgorithm.fl_str_mv |
MD5 MD5 |
repository.name.fl_str_mv |
Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN) |
repository.mail.fl_str_mv |
|
_version_ |
1797777101514866688 |