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Detalhes Referência

Tipo
Artigos em Revista

Tipo de Documento
Artigo Completo

Título
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites

Participantes na publicação
Rodrigo Aleixo (Author)
Ruben Elvas-Leitão (Author)
Filomena Martins (Author)
Dep. Química e Bioquímica
CQB
Ana P. Carvalho (Author)
Dep. Química e Bioquímica
CQB
Amadeu Brigas (Author)
Angela Martins (Author)
Nelson Nunes (Author)

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).\n\nA 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, Brønsted acidity, as zeolite's feature, and both van der Waals volume and Dimroth–Reichardt ETN 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.

Data de Submissão/Pedido
2016-11-12
Data de Aceitação
2017-03-02
Data de Publicação
2017-03-31

Instituição
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA

Suporte
Molecular Catalysis

Identificadores da Publicação
ISSN - 2468-8231

Editora
Elsevier BV

Volume
434

Número de Páginas
7
Página Inicial
175
Página Final
183

Identificadores do Documento
DOI - https://doi.org/10.1016/j.mcat.2017.03.007
URL - http://dx.doi.org/10.1016/j.mcat.2017.03.007

Identificadores de Qualidade
SCOPUS Q2 (2017) - 1.069 - Catalysis
SCOPUS Q1 (2017) - 1.069 - Physical and Theoretical Chemistry
SCIMAGO Q1 (2017) - 1.069 - Physical and Theoretical Chemistry
SCIMAGO Q2 (2017) - 1.069 - Catlysis

Keywords
Hierarchical MCM-22 Friedel-Crafts acylation reactions Kinetic modelling Non-linear regressions QSPR methodology


Exportar referência

APA
Rodrigo Aleixo, Ruben Elvas-Leitão, Filomena Martins, Ana P. Carvalho, Amadeu Brigas, Angela Martins, Nelson Nunes, (2017). Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites. Molecular Catalysis, 434, 175-183. ISSN 2468-8231. eISSN . http://dx.doi.org/10.1016/j.mcat.2017.03.007

IEEE
Rodrigo Aleixo, Ruben Elvas-Leitão, Filomena Martins, Ana P. Carvalho, Amadeu Brigas, Angela Martins, Nelson Nunes, "Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites" in Molecular Catalysis, vol. 434, pp. 175-183, 2017. 10.1016/j.mcat.2017.03.007

BIBTEX
@article{36520, author = {Rodrigo Aleixo and Ruben Elvas-Leitão and Filomena Martins and Ana P. Carvalho and Amadeu Brigas and Angela Martins and Nelson Nunes}, title = {Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites}, journal = {Molecular Catalysis}, year = 2017, pages = {175-183}, volume = 434 }