RSA CE&C 2015-2021 Group descriptions

Chemical and Process Technology (CPT) 15 heterogeneous catalysts augmented by multiscale computational modeling. In addressing a wide range of applications of catalysis, we aim for a nanoscale understanding of catalytic events and the prediction of design rules (structure-performance relations) with optimization via tailored synthesis as an overarching theme. Research themes The main challenge is the accurate prediction of the catalytic performance of nanoscopically organized and well-defined chemically functionalized solid materials. The relationship between the structure at the nano and mesoscale and performance in terms of activity, selectivity and stability is derived fromdetailed characterization, a theoretical understanding of the mechanism and microkinetic modeling approaches. There is an increased focus on establishing such advanced characterization and modeling under working conditions (operando) and studying the evolution of a structure and its relation to performance over longer timescales. We target applications in heterogeneous catalysis for the conversion of conventional fossil (mainly gas and oil) and renewable feedstock (biomass) as well as renewable forms of energy (light, electricity) into liquid and gaseous chemical energy carriers and chemical building blocks. The program aims for significant advances in predictive power for the design of optimum catalysts for desirable chemical reactivity to the benefit of the chemical industry and a contribution to sustainability goals. A combined experimental-theoretical approach is generally adopted for this purpose. The research activities are organized into three themes: 1. Catalysis for C 1 chemistry. The conversion of C 1 molecules is of increasing interest to the chemical industry, driven by changes in feedstock cost and availability as well as sustainability targets. The conversion of methane into chemicals and liquid fuels is in focus given the low natural gas prices in many parts of the world and the relatively low environmental impact of methane. In recent years, topics concerning the conversion of carbon dioxide, synthesis gas and methanol as platforms that can be derived from fossil and renewable feedstock are rapidly growing in importance. The transformation of these molecules into versatile base chemicals and liquid fuels is of the utmost importance to a sustainable future. 2. Catalysis for bio-renewables. This theme centers around the catalytic upgrading of biomass-derived sugars and lignin into base chemicals and transport fuels for the industry. Both drop-ins and new biobased products with a wide range of applications are being targeted. This part of the program has a strong applied impact via the spin-off Vertoro. 3. Catalysis for renewable energy conversion and storage. This theme focuses on the (inter) conversion of renewable energy in the form of light and electricity and chemical energy carriers for storage, which is pivotal to dealing with the intermittent nature of the renewable energy supply. This subprogramwas started in 2013 in the framework of the alliance between Utrecht University and Eindhoven University of Technology. Major accomplishments in the evaluation period Research quality and scientific relevance Our most significant results in the period 2015-2021 are summarized below, covering the three main research themes: 1. Catalysis for C1 chemistry. In the recent period, we have pushed the frontiers of the mechanistic understanding of the chemical upgrading of synthesis gas, methanol and methane. The group has a long tradition and acknowledged expertise in supported metal nanoparticle and zeolite catalysts used for these transformations. The main achievements in this regard are: (i) a complete understanding of the Fischer-Tropsch synthesis reaction