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Publication details

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 - Centro de Química e Bioquímica 
Ana P. Carvalho (Author)
Dep. Química e Bioquímica
CQB - Centro de Química e Bioquímica 
Amadeu Brigas (Author)
Angela Martins (Author)
Nelson Nunes (Author)

Scope
International

Refereeing
Yes

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

Volume
434

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


Export

APA
Rodrigo Aleixo, Ruben Elvas-Leitão, Filomena Martins, Ana P. Carvalho, Amadeu Brigas, Angela Martins, Nelson Nunes, (2017). Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites. Molecular Catalysis, 434, 175-183. ISSN 2468-8231. eISSN . http://dx.doi.org/10.1016/j.mcat.2017.03.007

IEEE
Rodrigo Aleixo, Ruben Elvas-Leitão, Filomena Martins, Ana P. Carvalho, Amadeu Brigas, Angela Martins, Nelson Nunes, "Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites" in Molecular Catalysis, vol. 434, pp. 175-183, 2017. 10.1016/j.mcat.2017.03.007

BIBTEX
@article{36520, author = {Rodrigo Aleixo and Ruben Elvas-Leitão and Filomena Martins and Ana P. Carvalho and Amadeu Brigas and Angela Martins and Nelson Nunes}, title = {Kinetic study of Friedel-Crafts acylation reactions over hierarchical MCM-22 zeolites}, journal = {Molecular Catalysis}, year = 2017, pages = {175-183}, volume = 434 }