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.