Project Areas
The aim of the SPP 2080 is to identify and model on an atomic scale the structural responses of nanostructured catalysts to changing reaction conditions at the atomic level. The resulting knowledge will be used for a targeted catalyst and reactor design.
Accordingly, the national competences are to be collected in the five thematic areas shown schematically in Fig. 2 and further developed jointly and in an interdisciplinary manner in the context of dynamic reaction management. A comprehensive understanding of selected catalytic systems of energy conversion and storage requires a close interlinking of these complementary fields of research that has not yet been achieved and thus makes it possible to generate fundamental and methodological knowledge for a large number of other catalytic systems.
Figure 2: Topics of the SPP 2080 and their interaction. A dynamic change of the reaction parameters concentration (c), pressure (p), temperature (T) and possibly electrical potential (E) leads to a time-dependent alteration of the surface and volume state of the catalyst along the reactor as well as the composition of the product stream in the form of concentrations (c), conversion (X), yield (Y) and selectivity (S).
In the SPP 2080, the investigation of electro- and solid catalysts under dynamic, externally imposed conditions shall be focused on conversions relevant for energy storage (see Fig. 1). The vision is to understand the processes on the atomic scale as well as on the (electro)catalyst and in the reactor under dynamic conditions. For this purpose, the fields of spectroscopy, molecular and kinetic modelling, catalytic material systems and reactor concepts are directly related to each other. By closely interlinking the project areas in terms of topics and methods, this provides the optimal prerequisite for gaining knowledge against the background of catalyst changes under dynamic conditions as the overriding objective. For example, the results of the spectroscopic investigations will be used to develop catalyst design criteria at atomic, mesoscopic and particle levels. They are also a prerequisite for a realistic modelling of the kinetics and an understanding of the electronic and structural catalyst properties with regard to the changes occurring at the active centres under load changes. The requirements for the design of reactors for dynamic operation are derived from the results of kinetics and material properties. On the other hand, they set targets for the further development of the kinetic models, the catalysts and the characterization methods necessary for their investigation. Thus it becomes clear that the goals of the SPP can only be achieved by a consistent alignment of the subprojects to the central question.
For the knowledge gained within the framework of the SPP 2080, a close thematic and methodological integration of the subareas spectroscopy, molecular and kinetic modelling, catalytic material systems and reactor concepts is an essential prerequisite. Hence, the interdisciplinary and cross-location cooperation is an essential characteristic of this SPP. The research projects will therefore include cooperations between groups from two to three different sub-areas and thus support networking and knowledge transfer between the disciplines.
Consortia and sub-projects
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Projects for the first funding period 2018-2021
1. Project : Structure-activity relationships on Ir-Ru electrodes for OER under dynamic conditions Subproject 1 : Model-based analysis of structure-activity relationships on Ir-Ru electrodes Contact: Prof. Dr.-Ing. Ulrike Krewer, Karlsruhe Institute of Technology (KIT) Subproject 2 : Material development and spectroscopy on Ir-Ru electrodes for OER Contact: Prof. Dr. Jan-Dierk Grunwaldt, Karlsruhe Institute of Technology (KIT) Subproject 3 : Advanced characterization of activity and stability of Ir-Ru electrodes for OER Contact: Dr. Serhiy Cherevko, Forschungszentrum Jülich GmbH and Helmholtz-Institute Erlangen-Nürnberg for Renewable Energy
2. Project : Iron-based catalysts for CO2 conversion into higher hydrocarbons under dynamic conditions Subproject 1 : Kinetic and mechanistic studies of CO2 hydrogenation under dynamic and steady-state conditions Contact: PD Dr. E. V. Kondratenko, Leibniz Institute for Catalysis eV at the University of Rostock Subproject 2 : Operando monitoring of changes in catalyst composition and development of cells / reactors Contact: Prof. Dr. A. Brückner, Leibniz Institute for Catalysis eV at the University of Rostock Subproject 3 : Synthesis and phase transformations of nanostructured iron oxides Contact: Dr.-Ing. Ralph Krähnert, Technical University Berlin
3. Project : Analysis of forced periodic modes of operation of chemical reactors using the example of methanol synthesis
Subproject 1 : Nonlinear frequency response analysis of forced periodic reactor operation Contact: Prof. Dr.-Ing. Menka Petkovska, University of Belgrade Subproject 2 : Dynamic optimization of forced periodic reactor operation Contact: Prof. Dr.-Ing. Achim Kienle, Otto von Guericke University Magdeburg Subproject 3 : Experimental study of forced periodic reactor operation Contact: Prof. Dr.-Ing. Andreas Seidel-Morgenstern, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg
4 Project : Multiscale Analysis and Rational Design of Dynamically Operated Integrated Catalyst-Reactor Systems for Methanation of CO 2 Subproject 1 : Multiscale modeling of catalyst and reactor dynamics / Experiments under dynamic conditions - Design of perturbation experiments Contact: Prof. Dr.-Ing. habil. Kai Sundmacher, Otto von Guericke University Magdeburg Subproject 2 : Defining structure, form and function of dynamically-operated catalysts for methanation of CO 2 using operando spectroscopy and synchrotron radiation Contact: Dr. Thomas Sheppard, Karlsruhe Institute of Technology (KIT) Subproject 3 : Design and preparation of monolithic catalysts with defined porosity / Experiments under dynamic conditions - Sorption, diffusion and catalytic activity Contact: Prof. Dr. Roger Gläser, Leipzig University
5. Project : MOFCO 2 DYN-X 2 : New CO 2 methanation catalysts from MOF precursors - Structures and mechanisms under dynamic conditions by combination of (synchrotron-based) hard X-ray techniques Subproject 1 : Catalyst synthesis and methanation studies under dynamic conditions Contact: Prof. Dr. Wolfgang Kleist, TU Kaiserslautern Subproject 2 : Mechanistic operando investigations using (HERFD-) XAS and XES Contact: Prof. Dr. Matthias Bauer, University of Paderborn Subproject 3 : Ex-situ and in-operando PDF investigations of short- and medium-range order Contact: Prof. Dr. Mirijam Zobel, University of Bayreuth
6. Project : Influence of dynamic operating conditions on the electrolytic hydrogen production Subproject 1 : Experimental investigations Contact: Prof. Dr. Herbert Over, Justus Liebig University of Gießen Subproject 2 : Theoretical multiscale calculations and electrochemical investigations Contact: Prof. Dr. Timo Jacob, Ulm University
7. Project : Time and location resolved in operando analyzes using microstructured model reactors for the kinetic description of the methanation reaction, taking catalyst deactivation and dynamic operating conditions into account Subproject 1 : Modeling and multiscale simulation to describe the methanation kinetics, taking catalyst deactivation and dynamic operating conditions into account Contact: Prof. Dr.-Ing. Hannsjörg Freund, Friedrich-Alexander University Erlangen-Nuremberg Subproject 2 : Microstructured model reactor for the operando analysis of the methanation reaction under dynamic and deactivating operating conditions Contact: Dr.-Ing. Michael Klumpp, Karlsruhe Institute of Technology (KIT)
8. Project : Long-term stable, Co-based catalysts for the Sabatier reaction operated with load changes Subproject 1 : Catalytic studies on the Sabatier reaction on Co-based catalysts with load changes Contact: Prof. Dr. Marcus Bäumer, University of Bremen Subproject 2 : Catalyst synthesis using multiple flame spray pyrolysis Contact: Prof. Dr.-Ing. Lutz Mädler, University of Bremen Contact: Prof. Dr.-Ing. Jorg Thöming, University of Bremen
9. Project: Design and in-depth investigation of nanostructured catalysts for CO2 electroreduction Subproject 1 : Catalyst design and operando X-ray spectroscopy Contact: Prof. Dr. Beatriz Roldan Cuenya, Fritz Haber Institute Subproject 2 : Operando surface X-ray diffraction Contact: Prof. Dr. Olaf Magnussen, Christian Albrechts University in Kiel
10. Project : Dynamic metal-oxide interactions in promoted copper catalysts for methanol synthesis Subproject 1 : synthesis and characterization Contact: Prof. Dr. Malte Behrens, University of Duisburg-Essen Subproject 2 : Operando spectroscopy on Cu-based methanol catalysts Contact: Prof. Dr. Jan-Dierk Grunwaldt, Karlsruhe Institute of Technology (KIT)
Subproject 3 : Theoretical simulations of Cu/ZnO dynamics Contact: Prof. Dr. Felix Studt, Karlsruhe Institute of Technology (KIT)
11. Project: Hydrogenation of CO 2 to Methanol under Dynamic Reaction Conditions: A Novel Concept for Carbon Capture and Utilization Subproject 1 : Kinetics of sorption, diffusion and reaction on Ru-based catalyst for methanol synthesis under dynamic conditions Contact: Prof. Dr. Roger Gläser, Leipzig University Subproject 2 : Surface chemistry and kinetic studies during hydrogenation of CO 2 to methanol under dynamic reaction conditions Contact: Prof. Andreas Jentys, Technical University of Munich Subproject 3 : Development of detailed kinetic model of CO 2 hydrogenation to methanol combined with CO 2 capture and release Contact: Prof. Olaf Deutschmann, Karlsruhe Institute of Technology (KIT)
12. Project : Transient High-temperature Oxygen Evolution Reaction Subproject 1 : Fabrication and electrochemical characterization Contact: Prof. Dr. Rüdiger Eichel, Research Center Jülich GmbH Subproject 2 : First-principles modelling Contact: Prof. Dr. Karsten Reuter, Fritz Haber Institute Subproject 3 : In situ analyses Contact: Prof. Dr. Robert Schlögl, Fritz Haber Institute
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