BIBLIOS

Tipo
Artigos em Revista

Tipo de Documento
Artigo Completo

Título
Zooming in with QSPR on Friedel-Crafts acylation reactions over modified BEA zeolites

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

Resumo
The catalytic behaviour of hierarchical BEA zeolites with Si/Al ratio of 12.5 and 32 was studied in Friedel-Crafts acylation reactions using furan, anisole and pyrrole as substrates and acetic anhydride as acylating agent. Hierarchical BEA samples were submitted to alkaline and alkaline?+?acid treatments. Kinetic modelling using nonlinear regressions applied to a simplified Langmuir-Hinshelwood equation showed that the Si/Al ratio of the parent materials strongly influenced the catalytic behaviour.\\n\\nCatalytic results were correlated with physicochemical properties using a Quantitative Structure-Property Relationship (QSPR) methodology. This approach provided detailed information about the role of key properties on the catalytic behaviour, and pointed out which properties should be modified through direct synthesis and/or post-synthesis treatments to obtain materials with optimized catalytic performance.


Instituição
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA

Suporte
Molecular Catalysis

Identificadores da Publicação
ISSN - 2468-8231

Editora
Elsevier BV



Identificadores do Documento
URL - http://dx.doi.org/10.1016/j.mcat.2019.110495
DOI - https://doi.org/10.1016/j.mcat.2019.110495

Identificadores de Qualidade
SCIMAGO Q2 (2019) - 0.906 - Catalysis
SCIMAGO Q1 (2019) - 0.906 - Physical and Theoretical Chemistry
Web Of Science Q2 (2019) - 3.687 - Physical Chemistry

Keywords
QSPR analysis Hierarchical BEA Friedel-Crafts acylation Kinetic modelling Nonlinear regression