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
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