BIBLIOS

Document type
Journal articles

Document subtype
Full paper

Title
Exploring the Effect of Hierarchical Porosity in BEA Zeolite in Friedel-Crafts Acylation of Furan and Benzofuran

Participants in the publication
Nelson Nunes (Author)
Ana P. Carvalho (Author)
Ruben Elvas-Leitão (Author)
Filomena Martins (Author)
Dep. Química e Bioquímica
CQE
Auguste Fernandes (Author)
João Rocha (Author)
Angela Martins (Author)

Summary
Hierarchical BEA zeolite was prepared through desilication or desilication followed by acid treatment. The catalytic performance of BEA zeolite samples was evaluated using Friedel-Crafts acylations with two substrates of different molecular sizes, furan (5.7 Å) and benzofuran (6.9 Å), in the presence of acetic anhydride as acylating agent. The application of the simplified Langmuir-Hinshelwood kinetic model showed that the size of the substrate leads to different catalytic activities, with improved rate constant and turnover frequency (TOF) solely in the presence of benzofuran for both desilicated and further acid treated samples. The mesopores developed during the zeolite treatments have an important role as transportation channels by reducing diffusion limitations. The application of Quantitative Structure–Property Relationships (QSPR) allowed the finding of the most relevant properties of the zeolite and substrate with impact on the catalytic parameters.


Institution
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA

Where published
Catalysts

Publication Identifiers
ISSN - 2073-4344

Publisher
MDPI AG



Document Identifiers
DOI - https://doi.org/10.3390/catal12091064
URL - http://dx.doi.org/10.3390/catal12091064

Rankings
Web Of Science Q2 (2022) - 3.9 - Chemistry Physical
SCIMAGO Q2 (2022) - 0.69 - Catalysis; Physical and Theoretical Chemistry

Keywords
hierarchical BEA; Friedel-Crafts acylation; furan; benzofuran; kinetic modelling; QSPR analysis