Publication Type Journal Article
Title Interplay of the adsorption of light and heavy paraffins in hydroisomerization over H-beta zeolite Electronic supplementary information (ESI) available. See DOI: 10.1039/c9cy00788a
Authors Pedro S. F. Mendes Celine Chizallet Javier Perez-Pellitero Pascal Raybaud J M Silva Filipa Ribeiro Antoine Daudin Christophe Bouchy
Groups FM Chem4Env
Journal CATALYSIS SCIENCE \& TECHNOLOGY
Year 2019
Month October
Volume 9
Number 19
Pages 5368-5382
Abstract The effect of pressure on the activity and selectivity of well-balanced Pt/H-beta zeolite bifunctional catalysts in n-hexadecane (n-C-16) hydroisomerization was studied. The turnover frequency per BrOnsted acid site of the catalyst decreased when the total pressure was increased due to the lower concentration of olefins at equilibrium, in line with the classical bifunctional mechanism. Conversely, when the total pressure was increased, the C-16 isomer yield unexpectedly decreased in contradiction with the pure kinetic/thermodynamic effect of olefin pressure on the reaction rates. Thanks to grand canonical Monte Carlo (GCMC) calculations, non-idealities in adsorption behavior in the zeolite micropores were revealed when a representative reaction medium was considered. Via mechanistic kinetic simulations combined with GCMC simulations for the relevant intermediate concentrations, the pressure effect on catalyst selectivity is proposed to be due to the interplay between the (light) cracked products and the (heavy) hexadecanes in the pores of beta zeolite which leads to a pressure dependency on the adsorption behavior.
DOI http://dx.doi.org/10.1039/c9cy00788a
ISBN
Publisher
Book Title
ISSN 2044-4753
EISSN 2044-4761
Conference Name
Bibtex ID ISI:000496289200012
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