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Advisor(s)
Abstract(s)
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.
Description
Keywords
Hierarchical BEA Friedel-Crafts acylation Furan Benzofuran Kinetic modelling QSPR analysis
Citation
NUNES, Nelson; [et al] – Exploring the effect of hierarchical porosity in BEA zeolite in Friedel-Crafts acylation of furan and benzofuran. Catalysts. ISSN 2073-4344. Vol. 12, N.º 9 (2022), pp. 1-13.
Publisher
MDPI