isoAmyl Propionate production by the integration of reaction/distillation operations

Abstract. This work studied the production of isoamyl propionate by the direct esterification of propionic acid with isoamyl alcohol, refined from the Colombian fuel-ethanol by-products, using the reactive distillation technology as a possible process solution. This, as way to increase the social-ec...

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Autores:
Leyva Lenis, Fernando Eduardo
Tipo de recurso:
Doctoral thesis
Fecha de publicación:
2014
Institución:
Universidad Nacional de Colombia
Repositorio:
Universidad Nacional de Colombia
Idioma:
spa
OAI Identifier:
oai:repositorio.unal.edu.co:unal/60108
Acceso en línea:
https://repositorio.unal.edu.co/handle/unal/60108
http://bdigital.unal.edu.co/58077/
Palabra clave:
51 Matemáticas / Mathematics
66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
Isoamyl propionate
Phase equilibrium
Esterification kinetics
Reactive distillation
Process intensification
Propionato de isoamilo
Equilibrio de fases
Cinética de esterificación
Destilación reactiva
Intensificación de procesos
Rights
openAccess
License
Atribución-NoComercial 4.0 Internacional
id UNACIONAL2_c0f6dc466682f0e3b233ae654551e2e7
oai_identifier_str oai:repositorio.unal.edu.co:unal/60108
network_acronym_str UNACIONAL2
network_name_str Universidad Nacional de Colombia
repository_id_str
dc.title.spa.fl_str_mv isoAmyl Propionate production by the integration of reaction/distillation operations
title isoAmyl Propionate production by the integration of reaction/distillation operations
spellingShingle isoAmyl Propionate production by the integration of reaction/distillation operations
51 Matemáticas / Mathematics
66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
Isoamyl propionate
Phase equilibrium
Esterification kinetics
Reactive distillation
Process intensification
Propionato de isoamilo
Equilibrio de fases
Cinética de esterificación
Destilación reactiva
Intensificación de procesos
title_short isoAmyl Propionate production by the integration of reaction/distillation operations
title_full isoAmyl Propionate production by the integration of reaction/distillation operations
title_fullStr isoAmyl Propionate production by the integration of reaction/distillation operations
title_full_unstemmed isoAmyl Propionate production by the integration of reaction/distillation operations
title_sort isoAmyl Propionate production by the integration of reaction/distillation operations
dc.creator.fl_str_mv Leyva Lenis, Fernando Eduardo
dc.contributor.author.spa.fl_str_mv Leyva Lenis, Fernando Eduardo
dc.contributor.spa.fl_str_mv Rodríguez Niño, Gerardo
dc.subject.ddc.spa.fl_str_mv 51 Matemáticas / Mathematics
66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
topic 51 Matemáticas / Mathematics
66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
Isoamyl propionate
Phase equilibrium
Esterification kinetics
Reactive distillation
Process intensification
Propionato de isoamilo
Equilibrio de fases
Cinética de esterificación
Destilación reactiva
Intensificación de procesos
dc.subject.proposal.spa.fl_str_mv Isoamyl propionate
Phase equilibrium
Esterification kinetics
Reactive distillation
Process intensification
Propionato de isoamilo
Equilibrio de fases
Cinética de esterificación
Destilación reactiva
Intensificación de procesos
description Abstract. This work studied the production of isoamyl propionate by the direct esterification of propionic acid with isoamyl alcohol, refined from the Colombian fuel-ethanol by-products, using the reactive distillation technology as a possible process solution. This, as way to increase the social-economic value of the fuel-ethanol industry of Colombia. For this objective, the analysis and modeling of Vapor-Liquid-Liquid (VLL) phase equilibrium of the sub-binary systems and the liquid esterification reaction kinetics heterogeneously catalyzed, were performed. Specifically for the phase equilibrium studies, VLL data were collected from existing reports in the open literature and phase equilibrium data generated for the missing binary systems, propionic acid-isoamyl propionate and isoamyl alcohol-isoamyl propionate (T-x-y data at 50.00, 101.33 and 150.00 kPa). For the kinetic study, experimental data were collected from batches of kinetic experiments for different reactant molar ratios (2:1, 1:1 and 1:2, acid to alcohol), different isothermal reaction temperatures (80, 100 and 120 C), and different loadings of Amberlyst® 70 as catalyst (0.8, 4.0 and 8.0 wt%). From the VLL and kinetics concluded models, the synthesis of a reaction-distillation operation was performed at steady state, using for the operation conceptual design the analysis of residue curve maps for subternary and the total quaternary systems, with and without chemical reaction, together with mathematical simulations in Aspen Plus® 7.3 chemical engineering software of reactive distillation models, based on equilibrium stage approach. Experimental evaluations of the possible concluded operation at steady state were carried out in a pilot scale reactive distillation column, validating the principal results of the operation modeled and concluded. The main conclusion of this work was that it is possible to produce isoamyl propionate by the direct esterification of propionic acid with refined isoamyl alcohol, with purities over 98% wt. and conversions of equimolar reactants mixtures around of 96%, in a single reactive distillation process operation.
publishDate 2014
dc.date.issued.spa.fl_str_mv 2014
dc.date.accessioned.spa.fl_str_mv 2019-07-02T17:33:01Z
dc.date.available.spa.fl_str_mv 2019-07-02T17:33:01Z
dc.type.spa.fl_str_mv Trabajo de grado - Doctorado
dc.type.driver.spa.fl_str_mv info:eu-repo/semantics/doctoralThesis
dc.type.version.spa.fl_str_mv info:eu-repo/semantics/acceptedVersion
dc.type.coar.spa.fl_str_mv http://purl.org/coar/resource_type/c_db06
dc.type.content.spa.fl_str_mv Text
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dc.identifier.uri.none.fl_str_mv https://repositorio.unal.edu.co/handle/unal/60108
dc.identifier.eprints.spa.fl_str_mv http://bdigital.unal.edu.co/58077/
url https://repositorio.unal.edu.co/handle/unal/60108
http://bdigital.unal.edu.co/58077/
dc.language.iso.spa.fl_str_mv spa
language spa
dc.relation.ispartof.spa.fl_str_mv Universidad Nacional de Colombia Sede Bogotá Facultad de Ingeniería Departamento de Ingeniería Química y Ambiental
Departamento de Ingeniería Química y Ambiental
dc.relation.references.spa.fl_str_mv Leyva Lenis, Fernando Eduardo (2014) isoAmyl Propionate production by the integration of reaction/distillation operations. Doctorado thesis, Universidad Nacional de Colombia - Sede Bogotá.
dc.rights.spa.fl_str_mv Derechos reservados - Universidad Nacional de Colombia
dc.rights.coar.fl_str_mv http://purl.org/coar/access_right/c_abf2
dc.rights.license.spa.fl_str_mv Atribución-NoComercial 4.0 Internacional
dc.rights.uri.spa.fl_str_mv http://creativecommons.org/licenses/by-nc/4.0/
dc.rights.accessrights.spa.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv Atribución-NoComercial 4.0 Internacional
Derechos reservados - Universidad Nacional de Colombia
http://creativecommons.org/licenses/by-nc/4.0/
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.mimetype.spa.fl_str_mv application/pdf
institution Universidad Nacional de Colombia
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spelling Atribución-NoComercial 4.0 InternacionalDerechos reservados - Universidad Nacional de Colombiahttp://creativecommons.org/licenses/by-nc/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Rodríguez Niño, GerardoLeyva Lenis, Fernando Eduardoab07de3c-59bd-47f5-b0a2-df2261b163b23002019-07-02T17:33:01Z2019-07-02T17:33:01Z2014https://repositorio.unal.edu.co/handle/unal/60108http://bdigital.unal.edu.co/58077/Abstract. This work studied the production of isoamyl propionate by the direct esterification of propionic acid with isoamyl alcohol, refined from the Colombian fuel-ethanol by-products, using the reactive distillation technology as a possible process solution. This, as way to increase the social-economic value of the fuel-ethanol industry of Colombia. For this objective, the analysis and modeling of Vapor-Liquid-Liquid (VLL) phase equilibrium of the sub-binary systems and the liquid esterification reaction kinetics heterogeneously catalyzed, were performed. Specifically for the phase equilibrium studies, VLL data were collected from existing reports in the open literature and phase equilibrium data generated for the missing binary systems, propionic acid-isoamyl propionate and isoamyl alcohol-isoamyl propionate (T-x-y data at 50.00, 101.33 and 150.00 kPa). For the kinetic study, experimental data were collected from batches of kinetic experiments for different reactant molar ratios (2:1, 1:1 and 1:2, acid to alcohol), different isothermal reaction temperatures (80, 100 and 120 C), and different loadings of Amberlyst® 70 as catalyst (0.8, 4.0 and 8.0 wt%). From the VLL and kinetics concluded models, the synthesis of a reaction-distillation operation was performed at steady state, using for the operation conceptual design the analysis of residue curve maps for subternary and the total quaternary systems, with and without chemical reaction, together with mathematical simulations in Aspen Plus® 7.3 chemical engineering software of reactive distillation models, based on equilibrium stage approach. Experimental evaluations of the possible concluded operation at steady state were carried out in a pilot scale reactive distillation column, validating the principal results of the operation modeled and concluded. The main conclusion of this work was that it is possible to produce isoamyl propionate by the direct esterification of propionic acid with refined isoamyl alcohol, with purities over 98% wt. and conversions of equimolar reactants mixtures around of 96%, in a single reactive distillation process operation.‘Producción de isoamil propionato por la integración de operaciones de reacción/destilación’ Este trabajo estudió la producción de propionato de isoamilo a través de la esterificación directa de ácido propiónico con alcohol isoamílico, refinado a partir de los subproductos de la industria del etanol carburante en Colombia, utilizando la tecnología de destilación reactiva como una solución posible de proceso. Esto, como manera de incrementar el beneficio socio-económico de la industria del etanol carburante de Colombia. Para este objetivo fundamental, se realizó el análisis y modelado del equilibrio de fases Vapor- Líquido-Líquido (VLL) de los sistemas sub-binarios, y la cinética de la reacción de esterificación líquida heterogéneamente catalizada. Específicamente para los estudios de equilibrio de fases, los datos VLL se obtuvieron de los trabajos existentes en la literatura abierta y datos generados específicamente para los sistemas binarios faltantes, ácido propiónico - propionato de isoamílo y alcohol isoamílico - propionato de isoamílo (datos T-x-y a 50.00 , 101.33 y 150.00 kPa). Para el estudio de la cinética de reacción, datos experimentales se recogieron a partir de ensayos cinéticos discontinuos para diferentes relaciones molares de reactivos ( 2:1 , 1:1 y 1:2, de ácido al alcohol), distintas temperaturas de reacción isotérmicas (80, 100 y 120 °C ), y diferentes cargas de Amberlyst® 70 como catalizador (0.8, 4.0 y 8.0 % en peso). A partir del modelo de equilibrio de fases VLL y de cinética de reacción concluidos, la síntesis de una operación de reacción - destilación se llevó a cabo, usando para esto el diseño conceptual de una posible operación con el análisis de mapas de curvas de residuo para los sub-sistemas ternarios y el sistema cuaternario total, con y sin reacción química, junto con simulaciones matemáticas en Aspen Plus® 7.3 de modelos de operaciones de destilación reactiva, basados en el concepto de etapa de equilibrio. Evaluaciones experimentales de la posible operación concluida en estado estacionario se llevaron a cabo en una columna de destilación reactiva a escala piloto, validando los principales resultados obtenidos en de la simulación del modelos en Aspen Plus® 7.3. La principal conclusión de este trabajo es que es posible obtener propionato de isoamilo a partir de la esterificación alcohol isoamílico refinado con al ácido propiónico con purezas superiores al 98% en peso y conversiones de una mezcla equimolar de reactivos de alrededor de 96% en una sola etapa de proceso de destilación reactiva.Doctoradoapplication/pdfspaUniversidad Nacional de Colombia Sede Bogotá Facultad de Ingeniería Departamento de Ingeniería Química y AmbientalDepartamento de Ingeniería Química y AmbientalLeyva Lenis, Fernando Eduardo (2014) isoAmyl Propionate production by the integration of reaction/distillation operations. Doctorado thesis, Universidad Nacional de Colombia - Sede Bogotá.51 Matemáticas / Mathematics66 Ingeniería química y Tecnologías relacionadas/ Chemical engineeringIsoamyl propionatePhase equilibriumEsterification kineticsReactive distillationProcess intensificationPropionato de isoamiloEquilibrio de fasesCinética de esterificaciónDestilación reactivaIntensificación de procesosisoAmyl Propionate production by the integration of reaction/distillation operationsTrabajo de grado - Doctoradoinfo:eu-repo/semantics/doctoralThesisinfo:eu-repo/semantics/acceptedVersionhttp://purl.org/coar/resource_type/c_db06Texthttp://purl.org/redcol/resource_type/TDORIGINAL300136.2014.pdfapplication/pdf4149893https://repositorio.unal.edu.co/bitstream/unal/60108/1/300136.2014.pdfc987fef144d85ad5598d0d24474fe24bMD51THUMBNAIL300136.2014.pdf.jpg300136.2014.pdf.jpgGenerated Thumbnailimage/jpeg4168https://repositorio.unal.edu.co/bitstream/unal/60108/2/300136.2014.pdf.jpgeaa790bbf1298db4fc257521723470c8MD52unal/60108oai:repositorio.unal.edu.co:unal/601082023-04-05 23:05:28.202Repositorio Institucional Universidad Nacional de Colombiarepositorio_nal@unal.edu.co