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for decentralized operation (Figure 4.5). The development of microkinetic models embedded in multi-scale simulations of these units is of key importance to quantitatively link the impact of key phenomena (observed in model experiments) to the kinetics at large scales (e.g. [12]). It is, in parallel, mandatory to develop robust operando characterization, imaging, kinetic, and theoretical tools to follow the catalyst along its life cycle, tracing its full dynamic behavior. This requires merging top-down experimental approaches (microscopy, spectroscopy, kinetics) with reductionistic bottom-up approaches (operando modeling, design of model systems). To bridge the spatial and time resolution gap from experiment and theory, operando models accounting for spatial heterogeneities and new tools to acquire and analyze experimental and characterization results using, for example, modulation-excitation and chemometric methods, are required. The expected stronger link between catalyst structure and chemical state and reaction pathways paired with emerging synthesis methods is hypothesized to enable the targeting of metal and oxide nanoparticle with specific shapes and sizes. 4.5 Conclusion Syngas chemistry will be a key technology to convert carbon oxides and hydrogen to a range of energy carriers and fuels. The variety of products allows, on the one hand, for tailoring the out- put to a particular usage, but also requires, on the other hand, a wide variability of processes and catalysts. The most significant challenges are linked with the need to decentralize significant parts of future syngas conversion systems to best utilize distributed energy and carbon resources. Decentralization requires that rates be accelerated by at least an order of magnitude at lower tem- peratures to realize small reactor sizes and low heat losses, and it necessitates higher selectivity and a substantial increase in conversion of at least one of the reactants to reduce separation cost. Processes will require a single-stage design, combining flexibility, robustness, and modularity to minimize capital investment and operation cost. These relatively straightforward boundary condi- tions will require concerted catalyst-to-reactor development, reducing our two current leverages for enhancing reaction rates, i.e. temperature and reactant pressure/concentration. It requires new generations of catalysts, developed with insight into molecular properties, to achieve the stability and robustness required in this future scenario. References 1W. Zhou, K. Cheng, J. Kang, C. Zhou, V. Subramanian, Q. Zhang, and Y. Wang, “New horizon in C1 chemistry: breaking the selectivity limitation in transformation of syngas and hydrogenation of CO2 into hydrocarbon chemicals and fuels”, Chemical Society Reviews, (2019). 47PDF Image | sustainable production of fuels and chemicals
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