Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura

Detalhes bibliográficos
Ano de defesa: 2017
Autor(a) principal: Souza, Bruno Dias De lattes
Orientador(a): Rolemberg, Marlus Pinheiro lattes
Banca de defesa: Rodrigues, Chistianne Elisabete Da Costa, Gonçalves, Cintia Bernardo, Basso, Rodrigo
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de Alfenas
Programa de Pós-Graduação: Programa de Pós-Graduação em Engenharia Química
Departamento: Instituto de Ciência e Tecnologia
País: Brasil
Palavras-chave em Português:
Área do conhecimento CNPq:
Link de acesso: https://repositorio.unifal-mg.edu.br/handle/123456789/1061
Resumo: Charles Hansen proposed to describe the solubility in three parameters: a dispersion, a polar and another of hydrogen bonding parameters, which can be graphically obtained from the solubility parameters of other substances. The solvents parameters, assumed as Cartesian coordinates, are analyzed in a computational function adjustment algorithm and a solubility sphere that encompasses all solvents that solubilize the solute. Variations in temperature of the system do not significantly affect the values of the solubility parameters, but an increase in temperature can increase the solubilized amount of a solute. Consequently, solvents previously considered bad may become good solvents. The aim of this work was to evaluate the Hansen solubility parameters by means of its methodology in 20 different pure solvents and 10 solvent mixtures, improved with the use of optical microscopy with temperature control. The purpose of this modification was to determine the saturation temperature of the solute in different solvents and to find an optimum working temperature level to obtain similar amounts of good and bad solvents, which is a condition that favors the achievement of more precise parameters and solubility radius. The results obtained by the microscopy (dynamic tests) have presented great similarity with the traditional methodology (static tests). Both tests found that at 22 °C, balanced amounts of good and bad solvents are obtained for palmitic acid. For stearic acid, it was found this condition at 28 °C for static tests and 31 °C for dynamic tests. It could also be noticed that it is possible to find a temperature range in which the amounts of good and bad solvents are similar. It also allowed an adjustment and obtaining of parameters of more precise solubility. It was possible to verify the increase in solubility radius and decrease in the number of anomalies with increasing temperature. From the obtained results, it was possible to affirm that the suggested improvement can replace the tests proposed by the Hansen methodology, carrying time gains from analysis and accuracy of the adjustment performed in the computational stage. Therefore, it is suggested that Hansen methodology be performed at 31 °C for stearic acid and 22 °C for palmitic acid.
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spelling Souza, Bruno Dias Dehttp://lattes.cnpq.br/1520599055684991Rodrigues, Chistianne Elisabete Da CostaGonçalves, Cintia BernardoBasso, RodrigoRolemberg, Marlus Pinheirohttp://lattes.cnpq.br/26194239048469432018-01-05T20:00:37Z2017-12-15SOUZA, Bruno Dias de. Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura. 2017. 116 f. Dissertação (Mestrado em Engenharia Química) - Universidade Federal de Alfenas, Poços de Caldas, MG, 2017.https://repositorio.unifal-mg.edu.br/handle/123456789/1061Charles Hansen proposed to describe the solubility in three parameters: a dispersion, a polar and another of hydrogen bonding parameters, which can be graphically obtained from the solubility parameters of other substances. The solvents parameters, assumed as Cartesian coordinates, are analyzed in a computational function adjustment algorithm and a solubility sphere that encompasses all solvents that solubilize the solute. Variations in temperature of the system do not significantly affect the values of the solubility parameters, but an increase in temperature can increase the solubilized amount of a solute. Consequently, solvents previously considered bad may become good solvents. The aim of this work was to evaluate the Hansen solubility parameters by means of its methodology in 20 different pure solvents and 10 solvent mixtures, improved with the use of optical microscopy with temperature control. The purpose of this modification was to determine the saturation temperature of the solute in different solvents and to find an optimum working temperature level to obtain similar amounts of good and bad solvents, which is a condition that favors the achievement of more precise parameters and solubility radius. The results obtained by the microscopy (dynamic tests) have presented great similarity with the traditional methodology (static tests). Both tests found that at 22 °C, balanced amounts of good and bad solvents are obtained for palmitic acid. For stearic acid, it was found this condition at 28 °C for static tests and 31 °C for dynamic tests. It could also be noticed that it is possible to find a temperature range in which the amounts of good and bad solvents are similar. It also allowed an adjustment and obtaining of parameters of more precise solubility. It was possible to verify the increase in solubility radius and decrease in the number of anomalies with increasing temperature. From the obtained results, it was possible to affirm that the suggested improvement can replace the tests proposed by the Hansen methodology, carrying time gains from analysis and accuracy of the adjustment performed in the computational stage. Therefore, it is suggested that Hansen methodology be performed at 31 °C for stearic acid and 22 °C for palmitic acid.Charles Hansen propôs descrever a solubilidade em três parâmetros: um de dispersão, um polar e outro de ligações de hidrogênio, que podem ser obtidos a partir dos parâmetros de solubilidade de outras substâncias de forma gráfica. Os parâmetros dos solventes, assumidos como coordenadas cartesianas, são analisados em um algoritmo computacional de ajuste de função para obter os parâmetros do soluto e uma esfera de solubilidade que engloba todos os solventes que solubilizam o soluto. Sabe-se que, variações de temperatura do sistema não afetam de forma relevante os valores dos parâmetros de solubilidade, mas também se sabe que um aumento de temperatura pode aumentar a quantidade solubilizada de um soluto e assim, solventes antes considerados maus podem se converter em bons solventes. Com isso, este trabalho visou avaliar os parâmetros de solubilidade de Hansen de dois solutos, ácido esteárico e palmítico, em 20 diferentes solventes puros e 10 misturas de solventes, por meio de sua metodologia, aprimorada com o uso da microscopia óptica com controle de temperatura. Tal modificação visou determinar a temperatura de saturação dos solutos em diferentes solventes e assim encontrar um patamar de temperatura ótimo de trabalho para se obter uma proporção igualitária entre bons e maus solventes que é uma condição que favorece a obtenção de parâmetros e raio de solubilidade mais precisos. Os resultados obtidos pela microscopia (ensaios dinâmicos) apresentaram bastante similaridade com a metodologia tradicional (ensaios estáticos). Ambos ensaios encontraram para o ácido palmítico que a uma temperatura de 22 °C obtém-se quantidades equilibradas de bons e maus solventes. Para o ácido esteárico, esta temperatura foi de 28 °C nos ensaios estáticos e 31 °C nos ensaios dinâmicos. Pode-se perceber que nestas condições as quantidades de bons e maus solventes foram próximas, o que propiciou um ajuste e obtenção de parâmetros de solubilidade mais precisos. Pode-se constatar o aumento do raio de solubilidade e uma diminuição do número de anomalias com o aumento da temperatura. Diante dos resultados obtidos, foi possível afirmar que o aprimoramento sugerido pode substituir os ensaios propostos pela metodologia de Hansen trazendo ganhos de tempo decorrido de análise e em precisão do ajuste. Portanto, sugere-se que a metodologia de Hansen seja executada nas temperaturas de 31 °C para o ácido esteárico e 22 °C para o ácido palmítico.application/pdfporUniversidade Federal de AlfenasPrograma de Pós-Graduação em Engenharia QuímicaUNIFAL-MGBrasilInstituto de Ciência e Tecnologiainfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/Solubilidade.Microscopia.Controle de temperatura.ENGENHARIAS::ENGENHARIA QUIMICAAprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperaturaImprovement of Hansen methodology using optical microscopy with temperature controlinfo:eu-repo/semantics/masterThesisinfo:eu-repo/semantics/publishedVersion-4297417259498638931600600-1848640261096870878reponame:Repositório Institucional da Universidade Federal de Alfenas - RiUnifalinstname:Universidade Federal de Alfenas (UNIFAL)instacron:UNIFALSouza, Bruno Dias DeLICENSElicense.txtlicense.txttext/plain; charset=utf-81987https://repositorio.unifal-mg.edu.br/bitstreams/bd105bc7-56ec-4c97-9152-0561b4097e93/download31555718c4fc75849dd08f27935d4f6bMD51CC-LICENSElicense_urllicense_urltext/plain; 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dc.title.pt-BR.fl_str_mv Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
dc.title.alternative.eng.fl_str_mv Improvement of Hansen methodology using optical microscopy with temperature control
title Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
spellingShingle Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
Souza, Bruno Dias De
Solubilidade.
Microscopia.
Controle de temperatura.
ENGENHARIAS::ENGENHARIA QUIMICA
title_short Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
title_full Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
title_fullStr Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
title_full_unstemmed Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
title_sort Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura
author Souza, Bruno Dias De
author_facet Souza, Bruno Dias De
author_role author
dc.contributor.author.fl_str_mv Souza, Bruno Dias De
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/1520599055684991
dc.contributor.referee1.fl_str_mv Rodrigues, Chistianne Elisabete Da Costa
dc.contributor.referee2.fl_str_mv Gonçalves, Cintia Bernardo
dc.contributor.referee3.fl_str_mv Basso, Rodrigo
dc.contributor.advisor1.fl_str_mv Rolemberg, Marlus Pinheiro
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/2619423904846943
contributor_str_mv Rodrigues, Chistianne Elisabete Da Costa
Gonçalves, Cintia Bernardo
Basso, Rodrigo
Rolemberg, Marlus Pinheiro
dc.subject.por.fl_str_mv Solubilidade.
Microscopia.
Controle de temperatura.
topic Solubilidade.
Microscopia.
Controle de temperatura.
ENGENHARIAS::ENGENHARIA QUIMICA
dc.subject.cnpq.fl_str_mv ENGENHARIAS::ENGENHARIA QUIMICA
description Charles Hansen proposed to describe the solubility in three parameters: a dispersion, a polar and another of hydrogen bonding parameters, which can be graphically obtained from the solubility parameters of other substances. The solvents parameters, assumed as Cartesian coordinates, are analyzed in a computational function adjustment algorithm and a solubility sphere that encompasses all solvents that solubilize the solute. Variations in temperature of the system do not significantly affect the values of the solubility parameters, but an increase in temperature can increase the solubilized amount of a solute. Consequently, solvents previously considered bad may become good solvents. The aim of this work was to evaluate the Hansen solubility parameters by means of its methodology in 20 different pure solvents and 10 solvent mixtures, improved with the use of optical microscopy with temperature control. The purpose of this modification was to determine the saturation temperature of the solute in different solvents and to find an optimum working temperature level to obtain similar amounts of good and bad solvents, which is a condition that favors the achievement of more precise parameters and solubility radius. The results obtained by the microscopy (dynamic tests) have presented great similarity with the traditional methodology (static tests). Both tests found that at 22 °C, balanced amounts of good and bad solvents are obtained for palmitic acid. For stearic acid, it was found this condition at 28 °C for static tests and 31 °C for dynamic tests. It could also be noticed that it is possible to find a temperature range in which the amounts of good and bad solvents are similar. It also allowed an adjustment and obtaining of parameters of more precise solubility. It was possible to verify the increase in solubility radius and decrease in the number of anomalies with increasing temperature. From the obtained results, it was possible to affirm that the suggested improvement can replace the tests proposed by the Hansen methodology, carrying time gains from analysis and accuracy of the adjustment performed in the computational stage. Therefore, it is suggested that Hansen methodology be performed at 31 °C for stearic acid and 22 °C for palmitic acid.
publishDate 2017
dc.date.issued.fl_str_mv 2017-12-15
dc.date.accessioned.fl_str_mv 2018-01-05T20:00:37Z
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dc.identifier.citation.fl_str_mv SOUZA, Bruno Dias de. Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura. 2017. 116 f. Dissertação (Mestrado em Engenharia Química) - Universidade Federal de Alfenas, Poços de Caldas, MG, 2017.
dc.identifier.uri.fl_str_mv https://repositorio.unifal-mg.edu.br/handle/123456789/1061
identifier_str_mv SOUZA, Bruno Dias de. Aprimoramento da metodologia de Hansen utilizando microscopia óptica com controle de temperatura. 2017. 116 f. Dissertação (Mestrado em Engenharia Química) - Universidade Federal de Alfenas, Poços de Caldas, MG, 2017.
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