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

Descripción del proyecto

Métodos de espectroscopia novedosos arrojan luz sobre la conversión catalítica del CO2

El carbono no es solo la base de los organismos vivos, sino también de hidrocarburos como el metano y de muchas otras moléculas relevantes para la industria y la naturaleza. Como prueba de su importancia, la química orgánica constituye un campo dedicado en su totalidad a los compuestos de carbono. El carbono forma enlaces particularmente estables, por lo que romperlos y crear otros nuevos puede ser muy complicado. La catálisis del CO2 podría proporcionar materia prima de carbono para productos químicos basados en este elemento y minimizar las emisiones de CO2 a la atmósfera, pero para ello es urgente encontrar catalizadores mejores. El proyecto OpeSpeKin, financiado con fondos europeos, observa más de cerca los catalizadores en acción para mejorar su especificidad, actividad y eficiencia.

Objetivo

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

Coordinador

UNIVERSITY COLLEGE LONDON
Aportación neta de la UEn
€ 212 933,76
Dirección
GOWER STREET
WC1E 6BT London
Reino Unido

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Región
London Inner London — West Camden and City of London
Tipo de actividad
Higher or Secondary Education Establishments
Enlaces
Coste total
€ 212 933,76