Scientific Methodology

The workflow within the project and methodology is illustrated in the image "Workflow and methodology within the project" on the right side. To deduce the fundamental structure-property relationships, an initial list of materials properties, which influence catalytic performance, is defined from the state-of-the-art knowledge within the proposal. An initial screening of commercial catalysts will generate additional input to the state-of-the art knowledge especially accounting for the comparison of base and noble metals. The properties of initial model catalysts vary with respect to their active metal, cluster size, pore size, carbon graphitization and are prepared by the synthesis methods for supports and noble metals employed within the project (WP1). Additionally the model catalysts are implemented in in-silico studies for theoretical investigations (WP2). Catalyst activity and selectivity will be studied experimentally with real- and model-feedstocks (e.g. aqueous phase from flash pyrolysis and model aldehydes or ketones) (WP3). The hydrothermal stability of the carbon support materials and, later on, of the catalysts will be studied in both pure water atmospheres and in the presence of reactants (WP4). The findings from both the theoretical and experimental work will be discussed and synergistic effects promoted as the model catalysts for both are harmonized. These results will feedback to the model catalyst design in the subsequent iteration loops. Model catalysts, catalytic computations and experiments will be thus efficiently combined, the resulting insights directing the buildup of a catalyst design capability. Within the project this central iteration cycle will be repeated up to four times, the first cycle period approx. 12 months and the subsequent cycles every 6 months. Throughout the project the economical viability of the envisaged process will be monitored (WP5). After each cycle an update will be presented. In the final year of the project following the four cycles the obtained structure-property relationships will be used to validate the capability to design and use a catalyst for a (commercial) feedstock to be specified in the project, allowing rapid industrialization (WP5).

Workflow and methodology within the project