Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion

Autores
Gomes, Glaucio José; Dal Pozzo, Daniel M.; Zalazar, Maria Fernanda; Budke Costa, Michelle; Arroyo, Pedro Augusto; Bittencourt, Paulo R. S.
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Residual oils and fats are promising renewable sources for the production of liquid fuels and the synthesis of various chemicals with significant life cycle and large-scale economic advantages over other biomass sources. Thus, oleic acid esterification was investigated on zeolites type FAU and sulfuric acid by kinetic, spectroscopic assessments and theoretical calculations using a hybrid ONIOM scheme. In the catalytic tests, the solid catalyst with the highest Si/Al (H-Y-80) ratio showed the highest catalytic activity for esterification (92% conversion) as compared to H-Y-5.2 (66% conversion), Na-Y (15% conversion) and homogeneous acid catalysis (89% conversion). The catalytic activity between different acid catalysts is discussed. It was observed that the acidity of the active sites and the hydrophobicity resulting from the Si/Al molar ratio influence the esterification conversion. Theoretical calcultations predicts that the voluminous confined space of the FAU zeolite perfectly accommodates the oleic acid molecule in the adsorption step (Eads= -25.5 kJ mol-1) and the van der Waals interactions of the zeolite walls with the aliphatic chain help to accommodate the bulky molecule between the supercages. Experimental and theoretical results confirm that H-Y-80 zeolite applied in the esterification reaction can be an efficient catalyst in processes involving conversion of unsaturated fatty acids.
Fil: Gomes, Glaucio José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; Argentina
Fil: Dal Pozzo, Daniel M.. Universidade Federal do Paraná; Brasil
Fil: Zalazar, Maria Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; Argentina
Fil: Budke Costa, Michelle. Universidade Federal do Paraná; Brasil
Fil: Arroyo, Pedro Augusto. Universidade Estadual de Maringá; Brasil
Fil: Bittencourt, Paulo R. S.. Universidade Federal do Paraná; Brasil
Materia
GREEN CHEMISTRY
OLEIC ACID ADSORPTION
SOLID ACID CATALYST
DENSITY FUNCTIONAL THEORY
CONFINEMENT EFFECTS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/154752
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/154752
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass ConversionGomes, Glaucio JoséDal Pozzo, Daniel M.Zalazar, Maria FernandaBudke Costa, MichelleArroyo, Pedro AugustoBittencourt, Paulo R. S.GREEN CHEMISTRYOLEIC ACID ADSORPTIONSOLID ACID CATALYSTDENSITY FUNCTIONAL THEORYCONFINEMENT EFFECTShttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Residual oils and fats are promising renewable sources for the production of liquid fuels and the synthesis of various chemicals with significant life cycle and large-scale economic advantages over other biomass sources. Thus, oleic acid esterification was investigated on zeolites type FAU and sulfuric acid by kinetic, spectroscopic assessments and theoretical calculations using a hybrid ONIOM scheme. In the catalytic tests, the solid catalyst with the highest Si/Al (H-Y-80) ratio showed the highest catalytic activity for esterification (92% conversion) as compared to H-Y-5.2 (66% conversion), Na-Y (15% conversion) and homogeneous acid catalysis (89% conversion). The catalytic activity between different acid catalysts is discussed. It was observed that the acidity of the active sites and the hydrophobicity resulting from the Si/Al molar ratio influence the esterification conversion. Theoretical calcultations predicts that the voluminous confined space of the FAU zeolite perfectly accommodates the oleic acid molecule in the adsorption step (Eads= -25.5 kJ mol-1) and the van der Waals interactions of the zeolite walls with the aliphatic chain help to accommodate the bulky molecule between the supercages. Experimental and theoretical results confirm that H-Y-80 zeolite applied in the esterification reaction can be an efficient catalyst in processes involving conversion of unsaturated fatty acids.Fil: Gomes, Glaucio José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; ArgentinaFil: Dal Pozzo, Daniel M.. Universidade Federal do Paraná; BrasilFil: Zalazar, Maria Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; ArgentinaFil: Budke Costa, Michelle. Universidade Federal do Paraná; BrasilFil: Arroyo, Pedro Augusto. Universidade Estadual de Maringá; BrasilFil: Bittencourt, Paulo R. S.. Universidade Federal do Paraná; BrasilSpringer/Plenum Publishers2019-04-22info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/154752Gomes, Glaucio José; Dal Pozzo, Daniel M.; Zalazar, Maria Fernanda; Budke Costa, Michelle; Arroyo, Pedro Augusto; et al.; Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion; Springer/Plenum Publishers; Topics In Catalysis; 22-4-2019; 1-101022-5528CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs11244-019-01172-3info:eu-repo/semantics/altIdentifier/doi/10.1007/s11244-019-01172-3info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:00:15Zoai:ri.conicet.gov.ar:11336/154752instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-10 13:00:15.944CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
title Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
spellingShingle Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
Gomes, Glaucio José
GREEN CHEMISTRY
OLEIC ACID ADSORPTION
SOLID ACID CATALYST
DENSITY FUNCTIONAL THEORY
CONFINEMENT EFFECTS
title_short Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
title_full Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
title_fullStr Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
title_full_unstemmed Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
title_sort Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion
dc.creator.none.fl_str_mv Gomes, Glaucio José
Dal Pozzo, Daniel M.
Zalazar, Maria Fernanda
Budke Costa, Michelle
Arroyo, Pedro Augusto
Bittencourt, Paulo R. S.
author Gomes, Glaucio José
author_facet Gomes, Glaucio José
Dal Pozzo, Daniel M.
Zalazar, Maria Fernanda
Budke Costa, Michelle
Arroyo, Pedro Augusto
Bittencourt, Paulo R. S.
author_role author
author2 Dal Pozzo, Daniel M.
Zalazar, Maria Fernanda
Budke Costa, Michelle
Arroyo, Pedro Augusto
Bittencourt, Paulo R. S.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv GREEN CHEMISTRY
OLEIC ACID ADSORPTION
SOLID ACID CATALYST
DENSITY FUNCTIONAL THEORY
CONFINEMENT EFFECTS
topic GREEN CHEMISTRY
OLEIC ACID ADSORPTION
SOLID ACID CATALYST
DENSITY FUNCTIONAL THEORY
CONFINEMENT EFFECTS
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Residual oils and fats are promising renewable sources for the production of liquid fuels and the synthesis of various chemicals with significant life cycle and large-scale economic advantages over other biomass sources. Thus, oleic acid esterification was investigated on zeolites type FAU and sulfuric acid by kinetic, spectroscopic assessments and theoretical calculations using a hybrid ONIOM scheme. In the catalytic tests, the solid catalyst with the highest Si/Al (H-Y-80) ratio showed the highest catalytic activity for esterification (92% conversion) as compared to H-Y-5.2 (66% conversion), Na-Y (15% conversion) and homogeneous acid catalysis (89% conversion). The catalytic activity between different acid catalysts is discussed. It was observed that the acidity of the active sites and the hydrophobicity resulting from the Si/Al molar ratio influence the esterification conversion. Theoretical calcultations predicts that the voluminous confined space of the FAU zeolite perfectly accommodates the oleic acid molecule in the adsorption step (Eads= -25.5 kJ mol-1) and the van der Waals interactions of the zeolite walls with the aliphatic chain help to accommodate the bulky molecule between the supercages. Experimental and theoretical results confirm that H-Y-80 zeolite applied in the esterification reaction can be an efficient catalyst in processes involving conversion of unsaturated fatty acids.
Fil: Gomes, Glaucio José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; Argentina
Fil: Dal Pozzo, Daniel M.. Universidade Federal do Paraná; Brasil
Fil: Zalazar, Maria Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; Argentina
Fil: Budke Costa, Michelle. Universidade Federal do Paraná; Brasil
Fil: Arroyo, Pedro Augusto. Universidade Estadual de Maringá; Brasil
Fil: Bittencourt, Paulo R. S.. Universidade Federal do Paraná; Brasil
description Residual oils and fats are promising renewable sources for the production of liquid fuels and the synthesis of various chemicals with significant life cycle and large-scale economic advantages over other biomass sources. Thus, oleic acid esterification was investigated on zeolites type FAU and sulfuric acid by kinetic, spectroscopic assessments and theoretical calculations using a hybrid ONIOM scheme. In the catalytic tests, the solid catalyst with the highest Si/Al (H-Y-80) ratio showed the highest catalytic activity for esterification (92% conversion) as compared to H-Y-5.2 (66% conversion), Na-Y (15% conversion) and homogeneous acid catalysis (89% conversion). The catalytic activity between different acid catalysts is discussed. It was observed that the acidity of the active sites and the hydrophobicity resulting from the Si/Al molar ratio influence the esterification conversion. Theoretical calcultations predicts that the voluminous confined space of the FAU zeolite perfectly accommodates the oleic acid molecule in the adsorption step (Eads= -25.5 kJ mol-1) and the van der Waals interactions of the zeolite walls with the aliphatic chain help to accommodate the bulky molecule between the supercages. Experimental and theoretical results confirm that H-Y-80 zeolite applied in the esterification reaction can be an efficient catalyst in processes involving conversion of unsaturated fatty acids.
publishDate 2019
dc.date.none.fl_str_mv 2019-04-22
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/154752
Gomes, Glaucio José; Dal Pozzo, Daniel M.; Zalazar, Maria Fernanda; Budke Costa, Michelle; Arroyo, Pedro Augusto; et al.; Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion; Springer/Plenum Publishers; Topics In Catalysis; 22-4-2019; 1-10
1022-5528
CONICET Digital
CONICET
url http://hdl.handle.net/11336/154752
identifier_str_mv Gomes, Glaucio José; Dal Pozzo, Daniel M.; Zalazar, Maria Fernanda; Budke Costa, Michelle; Arroyo, Pedro Augusto; et al.; Oleic Acid Esterification Catalyzed By Zeolite Y-Model of the Biomass Conversion; Springer/Plenum Publishers; Topics In Catalysis; 22-4-2019; 1-10
1022-5528
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs11244-019-01172-3
info:eu-repo/semantics/altIdentifier/doi/10.1007/s11244-019-01172-3
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Springer/Plenum Publishers
publisher.none.fl_str_mv Springer/Plenum Publishers
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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