COUPCAT · Coupling dimerisation and metathesis reactions to produce propene from ethanol using heterogeneous catalysts and microreactor systems

Coupling dimerisation and metathesis reactions to produce propene from ethanol using heterogeneous catalysts and microreactor systems

This project addresses fundamental and applied questions on the production of high value-added molecules from linear C4-C8 olefins. These molecules are important in petrochemistry, production of polymers or as precursors for fuel additives. Among these, heterogeneous catalysts present the advantage of significant reduction post-reaction catalyst and product separation costs, which also favors a significant reduction on waste streams containing environmentally hazardous homogeneous catalysts. Nickel and molybdenum based catalysts have shown promising data on the dimerization of ethene to butenes and on the metathesis reactions of ethene and 2-butenes to propene, respectively. The reported catalysts, however, deactivate very rapidly, which limits their potential application in future industrial processes. Moreover, such conditions difficult a proper identification of active dimerization or metathesis metal species and kinetic data for mechanistic interpretations. The main objective of this period is to study the mechanistic aspects of dimerization and metathesis reactions, using heterogeneous catalysts with systematic changes in metal content. The study will prioritize stability over reactivity, as stable rate conditions allow the proper elucidation of the kinetic role of active-site. Kinetic terms and reaction mechanism are defined in terms of elementary steps using transition state formalisms. Active-site characterization and quantification are supported by the use of selective titrants for Lewis and Bronsted acid-sites. This information is relevant for the design of more active catalysts or their application at industrial reaction conditions. Several conclusions of this action can be highlighted herein: - Mechanistic understanding of Ni-based catalysts active for light olefin dimerization reactions - Development of new experimental methods for the stabilization of catalysts showing strong deactivation in the presence of olefins - New reaction methods that can open scientific opportunities in the field of oligomerization, catalysis or theoretical methods - Training to become an independent researcher and establish own research projects - International experience and collaboration with world-class experts in multidisciplinary fields related to catalysis

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