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Small molecule targets of interest include formate and methyl formate [22], as well as light olefins such as ethene, propene, and butenes, which are important building blocks in the manufac- ture of plastics and rubbers and precursors for a range of industrial chemicals. Presently, light olefins are produced from crude oil, but it is vital to be able to produce them also in a petroleum-deprived future. Furthermore, developing a technology able to utilize CO2 instead of CO in carbonylation chemistry [23] could pave the way to a C-C coupling method in organic synthesis. 3.3 Future research needs In several of the aforementioned hydrogenation reactions like methanol synthesis, methanation and FTS (but with the exception of RWGS), the formation of water as a product aids the thermodynam- ics enough to render the reduction of CO2 viable. On the other hand, the resulting exothermicity of many CO2 conversion reactions calls for new catalysts that operate at lower temperatures and/or new reaction engineering solutions that can increase the yields for example by product removal in coupled reactions. Therefore, the crosscutting future research needs with the goal of improved conversion, activity, and selectivity of thermal CO2 hydrogenations and conversions are several-fold. 3.3.1 Engineering better catalysts While several of the aforementioned technologies are already in place that are at demonstrator plant level, better catalysts are needed to reach economic viability. By ‘better’ we mean catalysts that (i) operate at lower temperature and/or pressure and (ii) are more hydrothermally stable against water. Research efforts should also then be directed towards examining how developments of type (i) will affect catalyst stability, which might either be higher (lower temperature means lower hydrothermal sintering rates) or lower (water blocking effect). Towards this end, successful catalyst development efforts will rely heavily on continued research in the following areas: • Targeted catalyst synthesis. We need to explore new catalyst materials and new synthesis techniques for known catalysts so that we can more deeply understand the reaction dynamics, such as the role of promoters in catalyst activity, selectivity and stability. With highly accurate catalyst synthesis techniques, correlations can be drawn between catalyst (micro- )structure, composition, and properties. To this end, a framework that bridges from complex high-performance catalysts to highly defined, but functional, model systems is also needed. • Modern theory. Theory can elucidate free energy diagrams and reaction mechanisms for catalysts’ (promoted) active surfaces [24], as shown for example in Figure 3.4, as well as clues to the structure of the active site. Microkinetic modeling can be used to determine key intermediates, e.g. those involved in rate-determining steps, to aid in targeted catalyst development. Machine learning approaches (Section 8) will be important in new materials 33PDF Image | sustainable production of fuels and chemicals
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