Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites
Autor(a) principal: | |
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Data de Publicação: | 2017 |
Outros Autores: | , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10400.21/7611 |
Resumo: | Friedel-Crafts acylation was studied under mild conditions using hierarchical MCM-22 zeolites prepared by desilication and by desilication + acid treatment, using furan, pyrrole and anisole as substrates, and acetic anhydride as acylating agent. Enhanced catalysis was observed for furan and anisole, especially at short reaction times. Kinetic results modelling using non-linear regressions applied to a simplified Langmuir-Hinshelwood equation showed that desilication treatment followed by acid treatment improved kinetics (higher k and TOF). A QSPR methodology using nine substrate and zeolite descriptors was applied to model kinetics and adsorption. For both processes, the best QSPR model equations lead to the same descriptors, namely, Bronsted acidity, as zeolite's feature, and both van der Waals volume and Dimroth-Reichardt E-T(N) parameter (related to dipolarity and Lewis acidity) as substrates' characteristics. Normalization of descriptors allowed quantification of each descriptor's relative importance leading to a better understanding of the catalytic and adsorption processes. |
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Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolitesHierarchical MCM-22Friedel-Crafts acylation reactionsKinetic modellingNon-linear regressionsQSPR methodologyFriedel-Crafts acylation was studied under mild conditions using hierarchical MCM-22 zeolites prepared by desilication and by desilication + acid treatment, using furan, pyrrole and anisole as substrates, and acetic anhydride as acylating agent. Enhanced catalysis was observed for furan and anisole, especially at short reaction times. Kinetic results modelling using non-linear regressions applied to a simplified Langmuir-Hinshelwood equation showed that desilication treatment followed by acid treatment improved kinetics (higher k and TOF). A QSPR methodology using nine substrate and zeolite descriptors was applied to model kinetics and adsorption. For both processes, the best QSPR model equations lead to the same descriptors, namely, Bronsted acidity, as zeolite's feature, and both van der Waals volume and Dimroth-Reichardt E-T(N) parameter (related to dipolarity and Lewis acidity) as substrates' characteristics. Normalization of descriptors allowed quantification of each descriptor's relative importance leading to a better understanding of the catalytic and adsorption processes.Elsevier ScienceRCIPLAleixo, RodrigoElvas Leitao, RubenMartins, FilomenaCarvalho, AnaBrigas, AmadeuMartins, AngelaNunes, Nelson2017-11-29T10:28:51Z2017-062017-06-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.21/7611engALEIXO, Rodrigo [et al] - Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites. Molecular Catalysis. ISSN: 2468-8231. Vol. 434 (2017), pp. 175-1832468-823110.1016/j.mcat.2017.03.007metadata only accessinfo: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:RCAAP2023-08-03T09:53:53Zoai:repositorio.ipl.pt:10400.21/7611Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T20:16:30.963964Repositório 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 |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites |
title |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites |
spellingShingle |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites Aleixo, Rodrigo Hierarchical MCM-22 Friedel-Crafts acylation reactions Kinetic modelling Non-linear regressions QSPR methodology |
title_short |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites |
title_full |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites |
title_fullStr |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites |
title_full_unstemmed |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites |
title_sort |
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites |
author |
Aleixo, Rodrigo |
author_facet |
Aleixo, Rodrigo Elvas Leitao, Ruben Martins, Filomena Carvalho, Ana Brigas, Amadeu Martins, Angela Nunes, Nelson |
author_role |
author |
author2 |
Elvas Leitao, Ruben Martins, Filomena Carvalho, Ana Brigas, Amadeu Martins, Angela Nunes, Nelson |
author2_role |
author author author author author author |
dc.contributor.none.fl_str_mv |
RCIPL |
dc.contributor.author.fl_str_mv |
Aleixo, Rodrigo Elvas Leitao, Ruben Martins, Filomena Carvalho, Ana Brigas, Amadeu Martins, Angela Nunes, Nelson |
dc.subject.por.fl_str_mv |
Hierarchical MCM-22 Friedel-Crafts acylation reactions Kinetic modelling Non-linear regressions QSPR methodology |
topic |
Hierarchical MCM-22 Friedel-Crafts acylation reactions Kinetic modelling Non-linear regressions QSPR methodology |
description |
Friedel-Crafts acylation was studied under mild conditions using hierarchical MCM-22 zeolites prepared by desilication and by desilication + acid treatment, using furan, pyrrole and anisole as substrates, and acetic anhydride as acylating agent. Enhanced catalysis was observed for furan and anisole, especially at short reaction times. Kinetic results modelling using non-linear regressions applied to a simplified Langmuir-Hinshelwood equation showed that desilication treatment followed by acid treatment improved kinetics (higher k and TOF). A QSPR methodology using nine substrate and zeolite descriptors was applied to model kinetics and adsorption. For both processes, the best QSPR model equations lead to the same descriptors, namely, Bronsted acidity, as zeolite's feature, and both van der Waals volume and Dimroth-Reichardt E-T(N) parameter (related to dipolarity and Lewis acidity) as substrates' characteristics. Normalization of descriptors allowed quantification of each descriptor's relative importance leading to a better understanding of the catalytic and adsorption processes. |
publishDate |
2017 |
dc.date.none.fl_str_mv |
2017-11-29T10:28:51Z 2017-06 2017-06-01T00:00:00Z |
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 |
http://hdl.handle.net/10400.21/7611 |
url |
http://hdl.handle.net/10400.21/7611 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
ALEIXO, Rodrigo [et al] - Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites. Molecular Catalysis. ISSN: 2468-8231. Vol. 434 (2017), pp. 175-183 2468-8231 10.1016/j.mcat.2017.03.007 |
dc.rights.driver.fl_str_mv |
metadata only access info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
metadata only access |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Elsevier Science |
publisher.none.fl_str_mv |
Elsevier Science |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
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1799133425083351040 |