Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2022 |
| Outros Autores: | , , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório da Produção Científica e Intelectual da Unicamp |
| Texto Completo: | https://hdl.handle.net/20.500.12733/4122 |
Resumo: | Agradecimentos: Ericsem Pereira thanks the São Paulo Research Foundation (FAPESP), Brazil, Grant #2017/16979-7 for the scholarship and financial support. The authors thank the São Paulo Research Foundation (FAPESP), Brazil, Grants #2014/21252-0, and the National Council for Scientific and Technological Development (CNPq), Brazil, Grants #307398/2019-6 and #406963/2016-9 for their financial support and scholarships. This study was also financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)—Brazil —Finance Code 001 |
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Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC modelsEquilíbrio sólido-líquidoTriglicerídeosThermodynamic propertiesFatty alcoholsArtigo originalAgradecimentos: Ericsem Pereira thanks the São Paulo Research Foundation (FAPESP), Brazil, Grant #2017/16979-7 for the scholarship and financial support. The authors thank the São Paulo Research Foundation (FAPESP), Brazil, Grants #2014/21252-0, and the National Council for Scientific and Technological Development (CNPq), Brazil, Grants #307398/2019-6 and #406963/2016-9 for their financial support and scholarships. This study was also financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)—Brazil —Finance Code 001Abstract: The modeling of solid-liquid equilibrium is often performed assuming a series of theoretical simplifications, such as the compounds’ immiscibility in the solid phase. Unfortunately, this is not true for several systems, including food compounds. For example, triacylglycerol (TAG) molecules are the main components of fats and oils. Because of their characteristic solid transition phenomena such as polymorphism and solid solution formation, the quality of oil- and fat-based products is essentially dependent on TAG mixtures’ phase behavior. This work aimed to evaluate the use of a predictive approach based on UNIFAC and a predictive version of UNIQUAC to describe the solid-liquid equilibrium (SLE) behavior of binary mixtures containing TAG species. We put forth a validation test for the modeling approach, using experimental data of TAG mixtures solid-liquid phase diagrams taken from literature. Compared to the adjustable Margules equation and traditional UNIFAC structural parameters approaches, results showed that the predictive modeling approach is quite helpful in representing the experimental data despite limitations in calculating the nonideal behavior of the systems. It is noticeable that using models for calculating the activity coefficients in both phases was essential to the systems’ best description. The SLE theory-based predictive modeling approach used here can be further evaluated for designing mixtures with desired phase behavior, being an interesting tool for describing phase diagrams of TAG mixtures when no experimental data is availableFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESPCONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQCOORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPESFechadoUNIVERSIDADE ESTADUAL DE CAMPINASPereira, Ericsem, 1988-Pereira, Débora Tamires Vitor, 1988-Meirelles, Antonio José de Almeida, 1958-Maximo, Guilherme José, 1982-2022info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/20.500.12733/4122PEREIRA, Ericsem et al. Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models. Fluid phase equilibria. Amsterdam : Elsevier, 2022. Disponível em: https://hdl.handle.net/20.500.12733/4122. Acesso em: 7 mai. 2024.Inglêsenghttps://repositorio.unicamp.br/acervo/detalhe/1242198reponame:Repositório da Produção Científica e Intelectual da Unicampinstname:Universidade Estadual de Campinas (UNICAMP)instacron:UNICAMPinfo:eu-repo/semantics/openAccess2024-01-31T11:27:48Zoai:https://www.repositorio.unicamp.br/:1242198Repositório InstitucionalPUBhttp://repositorio.unicamp.br/oai/requestreposip@unicamp.bropendoar:2024-01-31T11:27:48Repositório da Produção Científica e Intelectual da Unicamp - Universidade Estadual de Campinas (UNICAMP)false |
| dc.title.none.fl_str_mv |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models |
| title |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models |
| spellingShingle |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models Pereira, Ericsem, 1988- Equilíbrio sólido-líquido Triglicerídeos Thermodynamic properties Fatty alcohols Artigo original |
| title_short |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models |
| title_full |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models |
| title_fullStr |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models |
| title_full_unstemmed |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models |
| title_sort |
Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models |
| author |
Pereira, Ericsem, 1988- |
| author_facet |
Pereira, Ericsem, 1988- Pereira, Débora Tamires Vitor, 1988- Meirelles, Antonio José de Almeida, 1958- Maximo, Guilherme José, 1982- |
| author_role |
author |
| author2 |
Pereira, Débora Tamires Vitor, 1988- Meirelles, Antonio José de Almeida, 1958- Maximo, Guilherme José, 1982- |
| author2_role |
author author author |
| dc.contributor.none.fl_str_mv |
UNIVERSIDADE ESTADUAL DE CAMPINAS |
| dc.contributor.author.fl_str_mv |
Pereira, Ericsem, 1988- Pereira, Débora Tamires Vitor, 1988- Meirelles, Antonio José de Almeida, 1958- Maximo, Guilherme José, 1982- |
| dc.subject.por.fl_str_mv |
Equilíbrio sólido-líquido Triglicerídeos Thermodynamic properties Fatty alcohols Artigo original |
| topic |
Equilíbrio sólido-líquido Triglicerídeos Thermodynamic properties Fatty alcohols Artigo original |
| description |
Agradecimentos: Ericsem Pereira thanks the São Paulo Research Foundation (FAPESP), Brazil, Grant #2017/16979-7 for the scholarship and financial support. The authors thank the São Paulo Research Foundation (FAPESP), Brazil, Grants #2014/21252-0, and the National Council for Scientific and Technological Development (CNPq), Brazil, Grants #307398/2019-6 and #406963/2016-9 for their financial support and scholarships. This study was also financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)—Brazil —Finance Code 001 |
| publishDate |
2022 |
| dc.date.none.fl_str_mv |
2022 |
| 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.uri.fl_str_mv |
https://hdl.handle.net/20.500.12733/4122 PEREIRA, Ericsem et al. Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models. Fluid phase equilibria. Amsterdam : Elsevier, 2022. Disponível em: https://hdl.handle.net/20.500.12733/4122. Acesso em: 7 mai. 2024. |
| url |
https://hdl.handle.net/20.500.12733/4122 |
| identifier_str_mv |
PEREIRA, Ericsem et al. Modeling the solid-liquid equilibrium of binary mixtures of triacylglycerols using UNIFAC and predictive UNIQUAC models. Fluid phase equilibria. Amsterdam : Elsevier, 2022. Disponível em: https://hdl.handle.net/20.500.12733/4122. Acesso em: 7 mai. 2024. |
| dc.language.iso.fl_str_mv |
Inglês eng |
| language_invalid_str_mv |
Inglês |
| language |
eng |
| dc.relation.none.fl_str_mv |
https://repositorio.unicamp.br/acervo/detalhe/1242198 |
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info:eu-repo/semantics/openAccess |
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openAccess |
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application/pdf |
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reponame:Repositório da Produção Científica e Intelectual da Unicamp instname:Universidade Estadual de Campinas (UNICAMP) instacron:UNICAMP |
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Universidade Estadual de Campinas (UNICAMP) |
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UNICAMP |
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UNICAMP |
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Repositório da Produção Científica e Intelectual da Unicamp |
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Repositório da Produção Científica e Intelectual da Unicamp |
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Repositório da Produção Científica e Intelectual da Unicamp - Universidade Estadual de Campinas (UNICAMP) |
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reposip@unicamp.br |
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