Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane

Detalhes bibliográficos
Autor(a) principal: Chiavone Filho, Osvaldo
Data de Publicação: 2018
Outros Autores: Matugi, Karina, Ribeiro, Marcelo Perencin de Arruda, Soares, Rafael de Pelegrini, Giordano, Roberto de Campos
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRN
Texto Completo: https://repositorio.ufrn.br/handle/123456789/44950
Resumo: The robustness of the simulation of bioethanol concentration from sugarcane faces two major challenges: the presence of several minor components and the nonlinear behavior of vapor-liquid equilibrium (VLE) calculations. This work assesses the effect of simplifications to overcome these difficulties. From a set of seventeen substances, methanol, n-propanol, isobutanol, 2-methyl-1-butanol and 3-methyl-1-butanol were selected through the examination of the influence of each minor component on vapor-liquid equilibrium calculations of ethanol-water-third component systems. The selection procedure was based on Txy diagrams built using the modified Raoult’s law. The influence of the ratio between the vapor phase fugacity coefficients and of the Poynting correction factor were verified. The accuracy of four correlations for vapor pressure was evaluated, and two functional-group activity coefficient models were scrutinized: the recent Functional-Segment Activity Coefficient (F-SAC) and the UNIFAC-Do model
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spelling Chiavone Filho, OsvaldoMatugi, KarinaRibeiro, Marcelo Perencin de ArrudaSoares, Rafael de PelegriniGiordano, Roberto de Campos2021-11-22T12:23:19Z2021-11-22T12:23:19Z2018MATUGI, K.; CHIAVONE-FILHO, O.; RIBEIRO, M. P. A. ; SOARES, R. P. ; GIORDONO, R. C. . VAPOR-LIQUID EQUILIBRIUM CALCULATION FOR SIMULATION OF BIOETHANOL CONCENTRATION FROM SUGARCANE. BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING (ONLINE), v. 35, p. 341-352, 2018. Disponível em: https://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322018000200341&lng=en&tlng=en. Acesso em: 21 jun. 2021. https://doi.org/10.1590/0104-6632.20180352s20160278.0104-66321678-4383https://repositorio.ufrn.br/handle/123456789/4495010.1590/0104-6632.20180352s20160278Brazilian Journal of Chemical EngineeringAttribution 3.0 Brazilhttp://creativecommons.org/licenses/by/3.0/br/info:eu-repo/semantics/openAccessVapor-liquid equilibrium in ethanol productionVapor pressurePoynting factorFugacity coefficientF-SACVapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcaneinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleThe robustness of the simulation of bioethanol concentration from sugarcane faces two major challenges: the presence of several minor components and the nonlinear behavior of vapor-liquid equilibrium (VLE) calculations. This work assesses the effect of simplifications to overcome these difficulties. From a set of seventeen substances, methanol, n-propanol, isobutanol, 2-methyl-1-butanol and 3-methyl-1-butanol were selected through the examination of the influence of each minor component on vapor-liquid equilibrium calculations of ethanol-water-third component systems. The selection procedure was based on Txy diagrams built using the modified Raoult’s law. The influence of the ratio between the vapor phase fugacity coefficients and of the Poynting correction factor were verified. The accuracy of four correlations for vapor pressure was evaluated, and two functional-group activity coefficient models were scrutinized: the recent Functional-Segment Activity Coefficient (F-SAC) and the UNIFAC-Do modelengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNORIGINALVapor-liquidEquilibriumCalculation_ChiavoneFilho_2018.pdfVapor-liquidEquilibriumCalculation_ChiavoneFilho_2018.pdfapplication/pdf2947978https://repositorio.ufrn.br/bitstream/123456789/44950/1/Vapor-liquidEquilibriumCalculation_ChiavoneFilho_2018.pdf713d5349609aa0ed8f5e33a1e211d0f9MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/44950/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/44950/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53123456789/449502021-11-22 09:23:20.635oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2021-11-22T12:23:20Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false
dc.title.pt_BR.fl_str_mv Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
title Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
spellingShingle Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
Chiavone Filho, Osvaldo
Vapor-liquid equilibrium in ethanol production
Vapor pressure
Poynting factor
Fugacity coefficient
F-SAC
title_short Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
title_full Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
title_fullStr Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
title_full_unstemmed Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
title_sort Vapor-liquid equilibrium calculation for simulation of bioethanol concentration from sugarcane
author Chiavone Filho, Osvaldo
author_facet Chiavone Filho, Osvaldo
Matugi, Karina
Ribeiro, Marcelo Perencin de Arruda
Soares, Rafael de Pelegrini
Giordano, Roberto de Campos
author_role author
author2 Matugi, Karina
Ribeiro, Marcelo Perencin de Arruda
Soares, Rafael de Pelegrini
Giordano, Roberto de Campos
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Chiavone Filho, Osvaldo
Matugi, Karina
Ribeiro, Marcelo Perencin de Arruda
Soares, Rafael de Pelegrini
Giordano, Roberto de Campos
dc.subject.por.fl_str_mv Vapor-liquid equilibrium in ethanol production
Vapor pressure
Poynting factor
Fugacity coefficient
F-SAC
topic Vapor-liquid equilibrium in ethanol production
Vapor pressure
Poynting factor
Fugacity coefficient
F-SAC
description The robustness of the simulation of bioethanol concentration from sugarcane faces two major challenges: the presence of several minor components and the nonlinear behavior of vapor-liquid equilibrium (VLE) calculations. This work assesses the effect of simplifications to overcome these difficulties. From a set of seventeen substances, methanol, n-propanol, isobutanol, 2-methyl-1-butanol and 3-methyl-1-butanol were selected through the examination of the influence of each minor component on vapor-liquid equilibrium calculations of ethanol-water-third component systems. The selection procedure was based on Txy diagrams built using the modified Raoult’s law. The influence of the ratio between the vapor phase fugacity coefficients and of the Poynting correction factor were verified. The accuracy of four correlations for vapor pressure was evaluated, and two functional-group activity coefficient models were scrutinized: the recent Functional-Segment Activity Coefficient (F-SAC) and the UNIFAC-Do model
publishDate 2018
dc.date.issued.fl_str_mv 2018
dc.date.accessioned.fl_str_mv 2021-11-22T12:23:19Z
dc.date.available.fl_str_mv 2021-11-22T12:23:19Z
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 MATUGI, K.; CHIAVONE-FILHO, O.; RIBEIRO, M. P. A. ; SOARES, R. P. ; GIORDONO, R. C. . VAPOR-LIQUID EQUILIBRIUM CALCULATION FOR SIMULATION OF BIOETHANOL CONCENTRATION FROM SUGARCANE. BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING (ONLINE), v. 35, p. 341-352, 2018. Disponível em: https://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322018000200341&lng=en&tlng=en. Acesso em: 21 jun. 2021. https://doi.org/10.1590/0104-6632.20180352s20160278.
dc.identifier.uri.fl_str_mv https://repositorio.ufrn.br/handle/123456789/44950
dc.identifier.issn.none.fl_str_mv 0104-6632
1678-4383
dc.identifier.doi.none.fl_str_mv 10.1590/0104-6632.20180352s20160278
identifier_str_mv MATUGI, K.; CHIAVONE-FILHO, O.; RIBEIRO, M. P. A. ; SOARES, R. P. ; GIORDONO, R. C. . VAPOR-LIQUID EQUILIBRIUM CALCULATION FOR SIMULATION OF BIOETHANOL CONCENTRATION FROM SUGARCANE. BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING (ONLINE), v. 35, p. 341-352, 2018. Disponível em: https://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322018000200341&lng=en&tlng=en. Acesso em: 21 jun. 2021. https://doi.org/10.1590/0104-6632.20180352s20160278.
0104-6632
1678-4383
10.1590/0104-6632.20180352s20160278
url https://repositorio.ufrn.br/handle/123456789/44950
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv Attribution 3.0 Brazil
http://creativecommons.org/licenses/by/3.0/br/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution 3.0 Brazil
http://creativecommons.org/licenses/by/3.0/br/
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Brazilian Journal of Chemical Engineering
publisher.none.fl_str_mv Brazilian Journal of Chemical Engineering
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