Multiscale Analysis and Rational Design of Dynamically Operated Integrated Catalyst-Reactor Systems for Methanation of CO2

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Realization of the "Energiewende" in Germany relies on efficient energy storage by conversion of electrical energy particularly into hydrogen generated by water electrolysis. For that purpose, hydrogen can directly be converted into synthetic methane via hydrogenation of CO2. Methane is a key substance not only for energy storage, but also for the value chain of the chemical industry.In view of the fluctuating supply of hydrogen, it would be desirable to perform the CO2 methanation reaction in catalytic reactors able to cope with dynamically changing feed streams. However, little is known so far about the design principles of dynamically operating catalytic reactors and stable catalyst systems able to withstand temporal changes of the gas composition and temperature. A consistent multiscale analysis of the system dynamics, covering the involved reaction and transport processes on a broad spectrum of time and length scales, is largely missing.The proposed research project considers the heterogeneously catalyzed gas phase hydrogenation of CO2 to methane using supported Ni- and Ru-catalysts. It has two main objectives: 1) dynamic multiscale analysis of the catalytic reaction coupled with mass and energy transport phenomena, i.e. from the active site over the catalyst particle to the reactor scale,2) rational design of a novel integrated catalyst-reactor system able to deal with dynamic operating conditions, under consideration of all design variables available on microscale (active catalyst phase), mesoscale (porous catalyst particle) and macroscale (catalytic reactor).For attaining these objectives, the project consortium combines interdisciplinary expertise in: a) catalytic material design and characterization (Prof. Roger Gläser, Leipzig), b) spatially-resolved monitoring of catalysts via ex situ, in situ and operando methods (Dr. Thomas Sheppard, Karlsruhe), and c) dynamic modeling, simulation and optimization of catalytic systems (Prof. Kai Sundmacher, Magdeburg).