Thermodynamic study of liquid-liquid equilibrium for the ethyl acetate + acetic acid + water system

Detalhes bibliográficos
Autor(a) principal: Silva, Jefferson Jeremias
Data de Publicação: 2022
Outros Autores: Mello, Daniel Marcondes de, Pires, Ricardo Francisco, Dantas, Sandra Cristina
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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spelling 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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