Document type
Journal articles
Document subtype
Full paper
Title
Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites
Participants in the publication
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)
Summary
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.
Date of Submisson/Request
2016-11-12
Date of Acceptance
2017-03-02
Date of Publication
2017-03-31
Institution
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA
Where published
Molecular Catalysis
Publication Identifiers
ISSN - 2468-8231
Publisher
Elsevier BV
Number of pages
7
Starting page
175
Last page
183
Document Identifiers
DOI -
https://doi.org/10.1016/j.mcat.2017.03.007
URL -
http://dx.doi.org/10.1016/j.mcat.2017.03.007
Rankings
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