Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures
Autor(a) principal: | |
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Data de Publicação: | 2007 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRN |
Texto Completo: | https://repositorio.ufrn.br/handle/123456789/44930 |
Resumo: | High-pressure density data for cyclohexane + n-hexadecane mixtures at a wide temperature range was modeled with several classical equations of state (EOS) and correlative models. A modification for softening the co-volume and another for a volume scaling of the Peng–Robinson EOS (VS-PR) were proposed. The VS-PR model is able to correlate the pure component experimental data employing only five adjustable parameters, with root-mean-square deviation (RMSD) between calculated and experimental densities essentially within the experimental error. This result is superior to widely used approaches, i.e., a six parameter Tait model and six parameter volume translations (temperature and pressure dependent) for Peng–Robinson and Patel–Teja EOS. The VS-PR model also represents well the isobaric thermal expansion and the isothermal compressibility coefficients of the pure cyclohexane, a small naphthenic substance as well as a long chain n-alkane hydrocarbon, n-hexadecane. When modeling the mixture data, the use of VS-PR model of pure components along with the Redlich–Kister expansion, truncated at the first term, the density was correlated within a RMSD only 60% greater than the experimental error. The proposed model is able to accurately represent all the tested mixture data with a relatively small number of parameters |
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Chiavone Filho, OsvaldoAmorim, Josinira Antunes deParedes, Márcio Luís LyraRajagopal, Krishnaswamy2021-11-17T15:19:41Z2021-11-17T15:19:41Z2007-10-01CHIAVONE-FILHO, Osvaldo; AMORIM, Josinira Antunes; PAREDES, Márcio Luis Lyra; RAJAGOPAL, Krishnaswamy . Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane+n-hexadecane mixtures. Fluid Phase Equilibria, v. 259, p. 89-98, 2007. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0378381207002506?via%3Dihub Acesso em: 16 jun. 2021. https://doi.org/10.1016/j.fluid.2007.05.007.0378-3812https://repositorio.ufrn.br/handle/123456789/4493010.1016/j.fluid.2007.05.007ElsevierHigh-pressure densityEquation of state modelingThermal expansion coefficientIsothermal compressibilityVolume scalingModeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixturesinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleHigh-pressure density data for cyclohexane + n-hexadecane mixtures at a wide temperature range was modeled with several classical equations of state (EOS) and correlative models. A modification for softening the co-volume and another for a volume scaling of the Peng–Robinson EOS (VS-PR) were proposed. The VS-PR model is able to correlate the pure component experimental data employing only five adjustable parameters, with root-mean-square deviation (RMSD) between calculated and experimental densities essentially within the experimental error. This result is superior to widely used approaches, i.e., a six parameter Tait model and six parameter volume translations (temperature and pressure dependent) for Peng–Robinson and Patel–Teja EOS. The VS-PR model also represents well the isobaric thermal expansion and the isothermal compressibility coefficients of the pure cyclohexane, a small naphthenic substance as well as a long chain n-alkane hydrocarbon, n-hexadecane. When modeling the mixture data, the use of VS-PR model of pure components along with the Redlich–Kister expansion, truncated at the first term, the density was correlated within a RMSD only 60% greater than the experimental error. The proposed model is able to accurately represent all the tested mixture data with a relatively small number of parametersengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNinfo:eu-repo/semantics/openAccessCC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/44930/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/44930/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53123456789/449302023-02-06 15:40:40.916oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2023-02-06T18:40:40Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false |
dc.title.pt_BR.fl_str_mv |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures |
title |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures |
spellingShingle |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures Chiavone Filho, Osvaldo High-pressure density Equation of state modeling Thermal expansion coefficient Isothermal compressibility Volume scaling |
title_short |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures |
title_full |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures |
title_fullStr |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures |
title_full_unstemmed |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures |
title_sort |
Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane + n-hexadecane mixtures |
author |
Chiavone Filho, Osvaldo |
author_facet |
Chiavone Filho, Osvaldo Amorim, Josinira Antunes de Paredes, Márcio Luís Lyra Rajagopal, Krishnaswamy |
author_role |
author |
author2 |
Amorim, Josinira Antunes de Paredes, Márcio Luís Lyra Rajagopal, Krishnaswamy |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Chiavone Filho, Osvaldo Amorim, Josinira Antunes de Paredes, Márcio Luís Lyra Rajagopal, Krishnaswamy |
dc.subject.por.fl_str_mv |
High-pressure density Equation of state modeling Thermal expansion coefficient Isothermal compressibility Volume scaling |
topic |
High-pressure density Equation of state modeling Thermal expansion coefficient Isothermal compressibility Volume scaling |
description |
High-pressure density data for cyclohexane + n-hexadecane mixtures at a wide temperature range was modeled with several classical equations of state (EOS) and correlative models. A modification for softening the co-volume and another for a volume scaling of the Peng–Robinson EOS (VS-PR) were proposed. The VS-PR model is able to correlate the pure component experimental data employing only five adjustable parameters, with root-mean-square deviation (RMSD) between calculated and experimental densities essentially within the experimental error. This result is superior to widely used approaches, i.e., a six parameter Tait model and six parameter volume translations (temperature and pressure dependent) for Peng–Robinson and Patel–Teja EOS. The VS-PR model also represents well the isobaric thermal expansion and the isothermal compressibility coefficients of the pure cyclohexane, a small naphthenic substance as well as a long chain n-alkane hydrocarbon, n-hexadecane. When modeling the mixture data, the use of VS-PR model of pure components along with the Redlich–Kister expansion, truncated at the first term, the density was correlated within a RMSD only 60% greater than the experimental error. The proposed model is able to accurately represent all the tested mixture data with a relatively small number of parameters |
publishDate |
2007 |
dc.date.issued.fl_str_mv |
2007-10-01 |
dc.date.accessioned.fl_str_mv |
2021-11-17T15:19:41Z |
dc.date.available.fl_str_mv |
2021-11-17T15:19:41Z |
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 |
CHIAVONE-FILHO, Osvaldo; AMORIM, Josinira Antunes; PAREDES, Márcio Luis Lyra; RAJAGOPAL, Krishnaswamy . Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane+n-hexadecane mixtures. Fluid Phase Equilibria, v. 259, p. 89-98, 2007. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0378381207002506?via%3Dihub Acesso em: 16 jun. 2021. https://doi.org/10.1016/j.fluid.2007.05.007. |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufrn.br/handle/123456789/44930 |
dc.identifier.issn.none.fl_str_mv |
0378-3812 |
dc.identifier.doi.none.fl_str_mv |
10.1016/j.fluid.2007.05.007 |
identifier_str_mv |
CHIAVONE-FILHO, Osvaldo; AMORIM, Josinira Antunes; PAREDES, Márcio Luis Lyra; RAJAGOPAL, Krishnaswamy . Modeling high-pressure densities at wide temperature range with volume scaling: Cyclohexane+n-hexadecane mixtures. Fluid Phase Equilibria, v. 259, p. 89-98, 2007. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0378381207002506?via%3Dihub Acesso em: 16 jun. 2021. https://doi.org/10.1016/j.fluid.2007.05.007. 0378-3812 10.1016/j.fluid.2007.05.007 |
url |
https://repositorio.ufrn.br/handle/123456789/44930 |
dc.language.iso.fl_str_mv |
eng |
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eng |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
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openAccess |
dc.publisher.none.fl_str_mv |
Elsevier |
publisher.none.fl_str_mv |
Elsevier |
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