

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). A 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. © 2017 Elsevier B.V.
| Engineering controlled terms: | Aromatic compoundsKinetic theoryKineticsOrganic pollutantsSubstratesVan der Waals forcesZeolites |
|---|---|
| Engineering uncontrolled terms | Friedel-crafts acylationHierarchical MCM-22Kinetic modellingNon-linear regressionQSPR methodology |
| Engineering main heading: | Acylation |
| Funding sponsor | Funding number | Acronym |
|---|---|---|
| Fundação para a Ciência e a Tecnologia See opportunities | PEST UID/MULTI/00612/2013 |
The authors acknowledge the financial support of FCT through PEST UID/MULTI/00612/2013. Appendix A
Nunes, N.; Área Departamental de Engenharia Química, Instituto Superior de Engenharia de Lisboa, IPL R. Conselheiro Emídio Navarro, Lisboa, Portugal;
© Copyright 2017 Elsevier B.V., All rights reserved.