Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE
Autor(a) principal: | |
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Data de Publicação: | 2013 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Brazilian Journal of Chemical Engineering |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322013000100009 |
Resumo: | Cubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC) and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction involving polar substances in wide temperature and pressure ranges. In this work, the predictive performances of the PC-SAFT with association contribution and Peng-Robinson (PR) combined with UNIFAC (Do) through mixing rules are compared. Binary and multi-component systems involving polar and non-polar substances were analyzed. Results were also compared to experimental data available in the literature. Results show a similar predictive performance for PC-SAFT with association and cubic equations combined with UNIFAC (Do) through mixing rules. Although PC-SAFT with association requires less parameters, it is more complex and requires more computation time. |
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Brazilian Journal of Chemical Engineering |
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Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GEPC-SAFTAssociation termCubic equations of stateGibbs Excess modelsPhase equilibriaCubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC) and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction involving polar substances in wide temperature and pressure ranges. In this work, the predictive performances of the PC-SAFT with association contribution and Peng-Robinson (PR) combined with UNIFAC (Do) through mixing rules are compared. Binary and multi-component systems involving polar and non-polar substances were analyzed. Results were also compared to experimental data available in the literature. Results show a similar predictive performance for PC-SAFT with association and cubic equations combined with UNIFAC (Do) through mixing rules. Although PC-SAFT with association requires less parameters, it is more complex and requires more computation time.Brazilian Society of Chemical Engineering2013-03-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322013000100009Brazilian Journal of Chemical Engineering v.30 n.1 2013reponame:Brazilian Journal of Chemical Engineeringinstname:Associação Brasileira de Engenharia Química (ABEQ)instacron:ABEQ10.1590/S0104-66322013000100009info:eu-repo/semantics/openAccessBender,N.Staudt,P. B.Soares,R. P.Cardozo,N. S. M.eng2013-03-01T00:00:00Zoai:scielo:S0104-66322013000100009Revistahttps://www.scielo.br/j/bjce/https://old.scielo.br/oai/scielo-oai.phprgiudici@usp.br||rgiudici@usp.br1678-43830104-6632opendoar:2013-03-01T00:00Brazilian Journal of Chemical Engineering - Associação Brasileira de Engenharia Química (ABEQ)false |
dc.title.none.fl_str_mv |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE |
title |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE |
spellingShingle |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE Bender,N. PC-SAFT Association term Cubic equations of state Gibbs Excess models Phase equilibria |
title_short |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE |
title_full |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE |
title_fullStr |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE |
title_full_unstemmed |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE |
title_sort |
Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE |
author |
Bender,N. |
author_facet |
Bender,N. Staudt,P. B. Soares,R. P. Cardozo,N. S. M. |
author_role |
author |
author2 |
Staudt,P. B. Soares,R. P. Cardozo,N. S. M. |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Bender,N. Staudt,P. B. Soares,R. P. Cardozo,N. S. M. |
dc.subject.por.fl_str_mv |
PC-SAFT Association term Cubic equations of state Gibbs Excess models Phase equilibria |
topic |
PC-SAFT Association term Cubic equations of state Gibbs Excess models Phase equilibria |
description |
Cubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC) and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction involving polar substances in wide temperature and pressure ranges. In this work, the predictive performances of the PC-SAFT with association contribution and Peng-Robinson (PR) combined with UNIFAC (Do) through mixing rules are compared. Binary and multi-component systems involving polar and non-polar substances were analyzed. Results were also compared to experimental data available in the literature. Results show a similar predictive performance for PC-SAFT with association and cubic equations combined with UNIFAC (Do) through mixing rules. Although PC-SAFT with association requires less parameters, it is more complex and requires more computation time. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-03-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322013000100009 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322013000100009 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/S0104-66322013000100009 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Brazilian Society of Chemical Engineering |
publisher.none.fl_str_mv |
Brazilian Society of Chemical Engineering |
dc.source.none.fl_str_mv |
Brazilian Journal of Chemical Engineering v.30 n.1 2013 reponame:Brazilian Journal of Chemical Engineering instname:Associação Brasileira de Engenharia Química (ABEQ) instacron:ABEQ |
instname_str |
Associação Brasileira de Engenharia Química (ABEQ) |
instacron_str |
ABEQ |
institution |
ABEQ |
reponame_str |
Brazilian Journal of Chemical Engineering |
collection |
Brazilian Journal of Chemical Engineering |
repository.name.fl_str_mv |
Brazilian Journal of Chemical Engineering - Associação Brasileira de Engenharia Química (ABEQ) |
repository.mail.fl_str_mv |
rgiudici@usp.br||rgiudici@usp.br |
_version_ |
1754213173885403136 |