Measurement and modeling diffusivities of bioactive compounds in compressed liquids
Autor(a) principal: | |
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Data de Publicação: | 2018 |
Tipo de documento: | Dissertação |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10773/25515 |
Resumo: | Over the last decade, the growing concern about global health, treatment and disease prevention has led to a rapid expansion of the market of bioactive compounds, which induced the pharmaceutical, cosmetics and food industries to invest in the extraction and recovery of such molecules. The global market for bioactive compounds has exceeded 27 billion dollars by 2015 and it is estimated to reach 51.71 billion dollars by 2024. Many industrial separations, such as solid-liquid and supercritical extractions, are often limited by mass transfer phenomena, and thus there is a great need to know diffusion coefficients in order to model, design and optimize these processes properly. In this sense, the main objective of this dissertation was the measurement and modeling of diffusion coefficients of two bioactive compounds of interest, namely, lycopene in ethanol and astaxanthin in ethyl acetate. To perform the diffusivity measurements at infinite dilution, it was used the chromatographic peak broadening (CPB) method, in the temperature range of 303.15 to 333.15 K and pressure range of 1 to 100 bar. The diffusivity values obtained are between 3.447×10-6 and 6.679×10-6 cm2 s-1 for lycopene and between 8.172×10-6 and 1.223×10-5 cm2 s-1 for astaxanthin. Subsequently, the measured diffusivities were analyzed as a function of their dependence on temperature, pressure, solvent density, and in Stokes-Einstein coordinates. Finally, the results were modeled using several models from the literature, The calculated and experimental diffusion coefficients were compared based on the average absolute relative deviation (AARD). The values exhibit deviations varying between 5.00 and 91.29 % for lycopene and 3.94 and 79.38 % for astaxanthin. For both compounds it was verified that the empirical and semi-empirical equations of Magalhães et al., with deviations of 5.00 to 8.92 % and 3.94 to 7.29 % (for lycopene and astaxanthin, respectively), the free volume model of Dymond-Hildebrand-Batchinsky (DHB) with deviations of 9.78 and 4.80 % (for lycopene and astaxanthin, respectively) and the hybrid 1-parameter Tracer Liu-Silva-Macedo correlation (TLSMd), with deviations of 6.92 and 6.37 % (for lycopene and astaxanthin, respectively) are most suitable to describe the diffusivity of the studied compounds |
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Measurement and modeling diffusivities of bioactive compounds in compressed liquidsAstaxanthinDiffusionEthanolEthyl acetateLycopeneModelingOver the last decade, the growing concern about global health, treatment and disease prevention has led to a rapid expansion of the market of bioactive compounds, which induced the pharmaceutical, cosmetics and food industries to invest in the extraction and recovery of such molecules. The global market for bioactive compounds has exceeded 27 billion dollars by 2015 and it is estimated to reach 51.71 billion dollars by 2024. Many industrial separations, such as solid-liquid and supercritical extractions, are often limited by mass transfer phenomena, and thus there is a great need to know diffusion coefficients in order to model, design and optimize these processes properly. In this sense, the main objective of this dissertation was the measurement and modeling of diffusion coefficients of two bioactive compounds of interest, namely, lycopene in ethanol and astaxanthin in ethyl acetate. To perform the diffusivity measurements at infinite dilution, it was used the chromatographic peak broadening (CPB) method, in the temperature range of 303.15 to 333.15 K and pressure range of 1 to 100 bar. The diffusivity values obtained are between 3.447×10-6 and 6.679×10-6 cm2 s-1 for lycopene and between 8.172×10-6 and 1.223×10-5 cm2 s-1 for astaxanthin. Subsequently, the measured diffusivities were analyzed as a function of their dependence on temperature, pressure, solvent density, and in Stokes-Einstein coordinates. Finally, the results were modeled using several models from the literature, The calculated and experimental diffusion coefficients were compared based on the average absolute relative deviation (AARD). The values exhibit deviations varying between 5.00 and 91.29 % for lycopene and 3.94 and 79.38 % for astaxanthin. For both compounds it was verified that the empirical and semi-empirical equations of Magalhães et al., with deviations of 5.00 to 8.92 % and 3.94 to 7.29 % (for lycopene and astaxanthin, respectively), the free volume model of Dymond-Hildebrand-Batchinsky (DHB) with deviations of 9.78 and 4.80 % (for lycopene and astaxanthin, respectively) and the hybrid 1-parameter Tracer Liu-Silva-Macedo correlation (TLSMd), with deviations of 6.92 and 6.37 % (for lycopene and astaxanthin, respectively) are most suitable to describe the diffusivity of the studied compoundsNa última década, a crescente preocupação global com a saúde, tratamento e prevenção de doenças levou a uma rápida expansão do mercado dos compostos bioativos, o que induziu as indústrias farmacêutica, cosmética e alimentar a investir na extração e recuperação dessas moléculas. O mercado global dos compostos bioativos ultrapassou os 27 mil milhões de dólares em 2015 e estima-se que em 2024 atinja os 51.71 mil milhões. Muitas separações industriais, tais como extrações sólido-líquido e extrações supercríticas, são frequentemente limitadas por fenómenos de transferência de massa e, portanto, há uma grande necessidade de conhecer os coeficientes de difusão para poder modelar, projetar e otimizar esses processos adequadamente. Nesse sentido, a presente dissertação tem como objetivo a medição e modelação do coeficiente de difusão de dois compostos bioativos de interesse, nomeadamente, licopeno em etanol e astaxantina em acetato de etilo. Para realizar a medição das difusividades a diluição infinita utilizou-se o método cromatográfico de abertura de pico (CPB), num intervalo de temperaturas de 303.15 a 333.15 K e num intervalo de pressão de 1 a 100 bar. Os valores de difusividade obtidos encontram-se entre 3.447×10-6 e 6.679×10-6 cm2 s-1 para o licopeno e entre 8.172×10-6 e 1.223×10-5 cm2 s-1 para a astaxantina. Posteriormente, os valores de difusividade obtidos foram analisados em função da sua dependência com a temperatura, pressão, densidade do solvente e as coordenadas de Stokes-Einstein. Por fim, os resultados foram modelados usando vários modelos da literatura. Os coeficientes de difusão calculados e experimentais foram comparados com base no desvio relativo absoluto médio (AARD). Os valores apresentam desvios que variam entre 5.00 e 91.29 % para o licopeno e 3.94 e 79.38 % para a astaxantina. Para ambos os compostos constatou-se que as equações empíricas e semi empíricas de Magalhães et al., com desvios de 5.00 a 8.92 % e 3.94 a 7.29 % (para o licopeno e astaxantina, respetivamente), o modelo de volume livre de Dymond-Hildebrand-Batchinsky (DHB), com desvios de 9.78 e 4.80 % (para o licopeno e astaxantina, respetivamente) e o modelo híbrido Tracer Liu-Silva-Macedo com 1 parâmetro (TLSMd), com desvios de 6.92 e 6.37 % (para o licopeno e astaxantina, respetivamente) são as mais adequadas para descrever a difusividade dos compostos estudados2020-11-20T00:00:00Z2018-11-07T00:00:00Z2018-11-07info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisapplication/pdfhttp://hdl.handle.net/10773/25515TID:202234975engSilva, José Miguel Cardoso dainfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-02-22T11:49:35Zoai:ria.ua.pt:10773/25515Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T02:58:46.877708Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids |
title |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids |
spellingShingle |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids Silva, José Miguel Cardoso da Astaxanthin Diffusion Ethanol Ethyl acetate Lycopene Modeling |
title_short |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids |
title_full |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids |
title_fullStr |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids |
title_full_unstemmed |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids |
title_sort |
Measurement and modeling diffusivities of bioactive compounds in compressed liquids |
author |
Silva, José Miguel Cardoso da |
author_facet |
Silva, José Miguel Cardoso da |
author_role |
author |
dc.contributor.author.fl_str_mv |
Silva, José Miguel Cardoso da |
dc.subject.por.fl_str_mv |
Astaxanthin Diffusion Ethanol Ethyl acetate Lycopene Modeling |
topic |
Astaxanthin Diffusion Ethanol Ethyl acetate Lycopene Modeling |
description |
Over the last decade, the growing concern about global health, treatment and disease prevention has led to a rapid expansion of the market of bioactive compounds, which induced the pharmaceutical, cosmetics and food industries to invest in the extraction and recovery of such molecules. The global market for bioactive compounds has exceeded 27 billion dollars by 2015 and it is estimated to reach 51.71 billion dollars by 2024. Many industrial separations, such as solid-liquid and supercritical extractions, are often limited by mass transfer phenomena, and thus there is a great need to know diffusion coefficients in order to model, design and optimize these processes properly. In this sense, the main objective of this dissertation was the measurement and modeling of diffusion coefficients of two bioactive compounds of interest, namely, lycopene in ethanol and astaxanthin in ethyl acetate. To perform the diffusivity measurements at infinite dilution, it was used the chromatographic peak broadening (CPB) method, in the temperature range of 303.15 to 333.15 K and pressure range of 1 to 100 bar. The diffusivity values obtained are between 3.447×10-6 and 6.679×10-6 cm2 s-1 for lycopene and between 8.172×10-6 and 1.223×10-5 cm2 s-1 for astaxanthin. Subsequently, the measured diffusivities were analyzed as a function of their dependence on temperature, pressure, solvent density, and in Stokes-Einstein coordinates. Finally, the results were modeled using several models from the literature, The calculated and experimental diffusion coefficients were compared based on the average absolute relative deviation (AARD). The values exhibit deviations varying between 5.00 and 91.29 % for lycopene and 3.94 and 79.38 % for astaxanthin. For both compounds it was verified that the empirical and semi-empirical equations of Magalhães et al., with deviations of 5.00 to 8.92 % and 3.94 to 7.29 % (for lycopene and astaxanthin, respectively), the free volume model of Dymond-Hildebrand-Batchinsky (DHB) with deviations of 9.78 and 4.80 % (for lycopene and astaxanthin, respectively) and the hybrid 1-parameter Tracer Liu-Silva-Macedo correlation (TLSMd), with deviations of 6.92 and 6.37 % (for lycopene and astaxanthin, respectively) are most suitable to describe the diffusivity of the studied compounds |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-11-07T00:00:00Z 2018-11-07 2020-11-20T00:00:00Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/masterThesis |
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masterThesis |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10773/25515 TID:202234975 |
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http://hdl.handle.net/10773/25515 |
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eng |
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openAccess |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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