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Combined operando spectroscopy with model-based experimental design to study the mechanism of catalytic surface reactions

Descrizione del progetto

Nuovi metodi spettroscopici fanno luce sulla conversione catalitica della CO2

Il carbonio è la «colonna portante» non soltanto degli organismi viventi, ma anche dei carburanti a base di idrocarburi, come il metano, e di numerose altre molecole rilevanti da un punto di vista naturale e industriale. A dimostrazione della sua importanza, la chimica organica è un settore interamente dedicato ai composti del carbonio. Poiché il carbonio forma legami particolarmente stabili, romperli per crearne di nuovi può rivelarsi molto difficile. La catalisi della CO2 potrebbe produrre materie prime contenenti carbonio per sostanze chimiche a base di carbonio e, al tempo stesso, ridurre al minimo le emissioni di CO2 nell’atmosfera, ma è necessario trovare al più presto catalizzatori migliori. Il progetto OpeSpeKin, finanziato dall’UE, studia più da vicino i catalizzatori in azione per migliorarne la specificità, l’attività e l’efficienza.

Obiettivo

Global warming from CO2 emissions is one of the greatest challenges facing mankind. Catalysis offers the potential to utilize CO2 as a carbon source, however improved catalysts are required. To unlock the potential of catalytic CO2 conversion, it is neccessary to observe catalysts in-action ‘in-operando’ to design improved active sites and more active/selective and energy efficient processes. Operando spectroscopy is an effective technique in investigating the reactions that take place on catalyst surface. Combining operando spectroscopy with kinetics (spectrokinetics) offers a powerful approach for studying the underlying mechanism of the reaction. This approach can enhance our understanding of the surface reactions and further elucidate the role of surface intermediates in real time of reaction. In this work, the evolution of the concentration of reactants, surface species and products will be used jointly in kinetic modelling to understand the mechanism of the reaction. In most kinetic studies, the procedure leading to a possible reaction mechanism is experiment- and time-intensive. Therefore, in this research, model-based design of experiment (MBDoE) techniques will be employed in designing a set of experiments to obtain the most informative data for development of kinetic model.
Overall, this research project intends to integrate operando spectroscopy with microkinetic modelling to rational design and optimization of new efcient catalytic systems for conversion of CO2.
The project aims at:
1. Optimizing operando spectroscopy set-up
2. Developing alternative kinetic models from microkinetic analysis
3. Employing MBDoE techniques to operando spectroscopy system
4. Identification of reaction mechanism and precise estimation of kinetic parameters
5. Investigating the correlation of surface species with observed reactivity

Coordinatore

UNIVERSITY COLLEGE LONDON
Contribution nette de l'UE
€ 212 933,76
Indirizzo
Gower street
WC1E 6BT London
Regno Unito

Mostra sulla mappa

Regione
London Inner London — West Camden and City of London
Tipo di attività
Higher or Secondary Education Establishments
Collegamenti
Altri finanziamenti
€ 0,00