Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Research, Society and Development |
Texto Completo: | https://rsdjournal.org/index.php/rsd/article/view/29685 |
Resumo: | When pairs of liquid chemical species are mixed, biphasic regions may appear in the system instead of a monophasic region. When these phases are in equilibrium, it tells you which system is in liquid-liquid equilibrium. This phenomenon has great relevance in the industrial environment and in unit operations, such as liquid-liquid extraction. In this work, the thermodynamic modeling of a ternary system composed of water + acetic acid + ethyl acetate was carried out at two temperatures, 10 and 30ºC. The thermodynamic consistency of the experimental data was verified from the correlations of Othmer-Tobias and Hand, obtaining a correlation coefficient greater than 0.99, showing good consistency. The solvent extraction capacity (ethyl acetate) to separate the solute (acetic acid) was evaluated from the distribution coefficient and the separation factor. Thermodynamic modeling was used to predict the liquid-liquid equilibrium from the Non-Random Two-Liquids (NRTL) models and the Universal Quasi-Chemical (UNIQUAC) method using the gamma-gamma approach to compare with the results obtained experimentally. The global mean deviations were 1.63% and 2.39 for the UNIQUAC and NRTL models respectively, thus showing that they are effective in predicting the liquid-liquid equilibrium. |
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Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water systemEstudio termodinámico del equilibrio líquido-líquido del sistema acetato de etilo + ácido acético + aguaEstudo termodinâmico do equilíbrio líquido-líquido para o sistema acetato de etila + ácido acético + águaEnseñanza de la termodinâmicaNRTLUNIQUACEnfoque gamma-gammaModelado termodinámico.Ensino de TermodinâmicaNRTLUNIQUACAbordagem gamma-gammaModelagem termodinâmica.Thermodynamics TeachingNRTLUNIQUACGamma-gamma approachThermodynamic modelling.When pairs of liquid chemical species are mixed, biphasic regions may appear in the system instead of a monophasic region. When these phases are in equilibrium, it tells you which system is in liquid-liquid equilibrium. This phenomenon has great relevance in the industrial environment and in unit operations, such as liquid-liquid extraction. In this work, the thermodynamic modeling of a ternary system composed of water + acetic acid + ethyl acetate was carried out at two temperatures, 10 and 30ºC. The thermodynamic consistency of the experimental data was verified from the correlations of Othmer-Tobias and Hand, obtaining a correlation coefficient greater than 0.99, showing good consistency. The solvent extraction capacity (ethyl acetate) to separate the solute (acetic acid) was evaluated from the distribution coefficient and the separation factor. Thermodynamic modeling was used to predict the liquid-liquid equilibrium from the Non-Random Two-Liquids (NRTL) models and the Universal Quasi-Chemical (UNIQUAC) method using the gamma-gamma approach to compare with the results obtained experimentally. The global mean deviations were 1.63% and 2.39 for the UNIQUAC and NRTL models respectively, thus showing that they are effective in predicting the liquid-liquid equilibrium.Cuando se mezclan pares de especies químicas líquidas, pueden aparecer regiones bifásicas en el sistema en lugar de una región monofásica. Cuando estas fases están en equilibrio, le dice qué sistema está en equilibrio líquido-líquido. Este fenómeno tiene gran relevancia en el entorno industrial y en operaciones unitarias, como la extracción líquido-líquido. En este trabajo se realizó el modelado termodinámico de un sistema ternario compuesto por agua + ácido acético + acetato de etilo a dos temperaturas, 10 y 30ºC. La consistencia termodinámica de los datos experimentales se verificó a partir de las correlaciones de Othmer-Tobias y Hand, obteniendo un coeficiente de correlación mayor a 0,99, mostrando buena consistencia. La capacidad de extracción con disolvente (acetato de etilo) para separar el soluto (ácido acético) se evaluó a partir del coeficiente de distribución y el factor de separación. Se utilizó el modelado termodinámico para predecir el equilibrio líquido-líquido a partir de los modelos Non Random Two-Liquids (NRTL) y el método Universal Quase-Chemical (UNIQUAC) utilizando el enfoque gamma-gamma para comparar con los resultados obtenidos experimentalmente. Las desviaciones medias globales fueron 1,63% y 2,39 para los modelos UNIQUAC y NRTL respectivamente, lo que demuestra que son efectivos en la predicción del equilibrio líquido-líquido.Quando pares de espécies químicas líquidas são misturadas, regiões bifásicas podem aparecer no sistema ao invés de uma região monofásica. Quando essas fases estão em equilíbrio, diz que o sistema está em equilíbrio líquido-líquido. Esse fenômeno tem grande relevância no ambiente industrial e nas operações unitárias, como a extração líquido-líquido. Neste trabalho foi realizada a modelagem termodinâmica de um sistema ternário composto por água + ácido acético + acetato de etila em duas temperaturas, 10 e 30ºC. A consistência termodinâmica dos dados experimentais foi verificada a partir das correlações de Othmer-Tobias e Hand, obtendo-se um coeficiente de correlação superior a 0,99. A capacidade de extração do solvente (acetato de etila) na separação do soluto (ácido acético) foi avaliada a partir do coeficiente de distribuição e o fator de separação. A modelagem termodinâmica se deu para predizer o equilíbrio líquido-líquido a partir dos modelos de Non Random Two-Liquids (NRTL) e o método Universal Quase-Chemical (UNIQUAC) utilizando a abordagem gamma-gamma para comparar com os resultados obtidos experimentalmente. Os desvios médios globais foram 1,63% e 2,39 para os modelos UNIQUAC e NRTL respectivamente, mostrando então serem efetivos para predizer o equilíbrio líquido-líquido.Research, Society and Development2022-05-16info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://rsdjournal.org/index.php/rsd/article/view/2968510.33448/rsd-v11i7.29685Research, Society and Development; Vol. 11 No. 7; e9311729685Research, Society and Development; Vol. 11 Núm. 7; e9311729685Research, Society and Development; v. 11 n. 7; e93117296852525-3409reponame:Research, Society and Developmentinstname:Universidade Federal de Itajubá (UNIFEI)instacron:UNIFEIporhttps://rsdjournal.org/index.php/rsd/article/view/29685/25660Copyright (c) 2022 Jefferson Jeremias Silva; Daniel Marcondes de Mello; Ricardo Francisco Pires; Sandra Cristina Dantashttps://creativecommons.org/licenses/by/4.0info:eu-repo/semantics/openAccessSilva, Jefferson Jeremias Mello, Daniel Marcondes de Pires, Ricardo FranciscoDantas, Sandra Cristina2022-06-06T15:12:05Zoai:ojs.pkp.sfu.ca:article/29685Revistahttps://rsdjournal.org/index.php/rsd/indexPUBhttps://rsdjournal.org/index.php/rsd/oairsd.articles@gmail.com2525-34092525-3409opendoar:2024-01-17T09:46:41.772876Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)false |
dc.title.none.fl_str_mv |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system Estudio termodinámico del equilibrio líquido-líquido del sistema acetato de etilo + ácido acético + agua Estudo termodinâmico do equilíbrio líquido-líquido para o sistema acetato de etila + ácido acético + água |
title |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system |
spellingShingle |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system Silva, Jefferson Jeremias Enseñanza de la termodinâmica NRTL UNIQUAC Enfoque gamma-gamma Modelado termodinámico. Ensino de Termodinâmica NRTL UNIQUAC Abordagem gamma-gamma Modelagem termodinâmica. Thermodynamics Teaching NRTL UNIQUAC Gamma-gamma approach Thermodynamic modelling. |
title_short |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system |
title_full |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system |
title_fullStr |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system |
title_full_unstemmed |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system |
title_sort |
Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system |
author |
Silva, Jefferson Jeremias |
author_facet |
Silva, Jefferson Jeremias Mello, Daniel Marcondes de Pires, Ricardo Francisco Dantas, Sandra Cristina |
author_role |
author |
author2 |
Mello, Daniel Marcondes de Pires, Ricardo Francisco Dantas, Sandra Cristina |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Silva, Jefferson Jeremias Mello, Daniel Marcondes de Pires, Ricardo Francisco Dantas, Sandra Cristina |
dc.subject.por.fl_str_mv |
Enseñanza de la termodinâmica NRTL UNIQUAC Enfoque gamma-gamma Modelado termodinámico. Ensino de Termodinâmica NRTL UNIQUAC Abordagem gamma-gamma Modelagem termodinâmica. Thermodynamics Teaching NRTL UNIQUAC Gamma-gamma approach Thermodynamic modelling. |
topic |
Enseñanza de la termodinâmica NRTL UNIQUAC Enfoque gamma-gamma Modelado termodinámico. Ensino de Termodinâmica NRTL UNIQUAC Abordagem gamma-gamma Modelagem termodinâmica. Thermodynamics Teaching NRTL UNIQUAC Gamma-gamma approach Thermodynamic modelling. |
description |
When pairs of liquid chemical species are mixed, biphasic regions may appear in the system instead of a monophasic region. When these phases are in equilibrium, it tells you which system is in liquid-liquid equilibrium. This phenomenon has great relevance in the industrial environment and in unit operations, such as liquid-liquid extraction. In this work, the thermodynamic modeling of a ternary system composed of water + acetic acid + ethyl acetate was carried out at two temperatures, 10 and 30ºC. The thermodynamic consistency of the experimental data was verified from the correlations of Othmer-Tobias and Hand, obtaining a correlation coefficient greater than 0.99, showing good consistency. The solvent extraction capacity (ethyl acetate) to separate the solute (acetic acid) was evaluated from the distribution coefficient and the separation factor. Thermodynamic modeling was used to predict the liquid-liquid equilibrium from the Non-Random Two-Liquids (NRTL) models and the Universal Quasi-Chemical (UNIQUAC) method using the gamma-gamma approach to compare with the results obtained experimentally. The global mean deviations were 1.63% and 2.39 for the UNIQUAC and NRTL models respectively, thus showing that they are effective in predicting the liquid-liquid equilibrium. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-05-16 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://rsdjournal.org/index.php/rsd/article/view/29685 10.33448/rsd-v11i7.29685 |
url |
https://rsdjournal.org/index.php/rsd/article/view/29685 |
identifier_str_mv |
10.33448/rsd-v11i7.29685 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
https://rsdjournal.org/index.php/rsd/article/view/29685/25660 |
dc.rights.driver.fl_str_mv |
https://creativecommons.org/licenses/by/4.0 info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by/4.0 |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Research, Society and Development |
publisher.none.fl_str_mv |
Research, Society and Development |
dc.source.none.fl_str_mv |
Research, Society and Development; Vol. 11 No. 7; e9311729685 Research, Society and Development; Vol. 11 Núm. 7; e9311729685 Research, Society and Development; v. 11 n. 7; e9311729685 2525-3409 reponame:Research, Society and Development instname:Universidade Federal de Itajubá (UNIFEI) instacron:UNIFEI |
instname_str |
Universidade Federal de Itajubá (UNIFEI) |
instacron_str |
UNIFEI |
institution |
UNIFEI |
reponame_str |
Research, Society and Development |
collection |
Research, Society and Development |
repository.name.fl_str_mv |
Research, Society and Development - Universidade Federal de Itajubá (UNIFEI) |
repository.mail.fl_str_mv |
rsd.articles@gmail.com |
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1797052811960123392 |