Tap Reactor for Temporally and Spatially Resolved Analysis of the CO2_{2} Methanation Reaction

Chemical energy carriers produced according to power-to-X concepts will play a crucial role in the future energy system. Here, CO$_{2}$ methanation is described as one promising route. However, transient operating conditions and the resulting effects on catalyst stability are to be considered. In this contribution, a tap reactor for spatially and temporally resolved analysis of the methanation reaction is presented. The Ni catalyst investigated was implemented as coating. Reaction data as a function of time and reactor coordinate under various operating conditions are presented and discussed. A comparison with simulation data validates the presented tap reactor concept

Electrophoretic Deposition of Boehmite on Additively Manufactured, Interpenetrating Periodic Open Cellular Structures for Catalytic Applications

Our contribution demonstrates that the combination of additive manufacturing and electrophoretic deposition offers great potential for the future manufacturing of tailor-made catalytic structures for continuous flow applications. A new protocol for the controlled and homogeneous coating of both electrodes of interpenetrating porous open cell structures (interPOCS) with layers of boehmite is presented. Moreover, it has been found that by applying different coating voltages in an electrophoretic deposition (EPD) process, the properties of the obtained coating can be fine-tuned with respect to layer thickness, density, and porosity. This offers very interesting options for optimizing the catalysis-relevant properties from two sides by the use of the special interPOCS support design and by adjusting the coating through the parameters of the EPD coating process

Quo vadis multiscale modeling in reaction engineering? A perspective

This work reports the results of a perspective workshop held in summer 2021 discussing the current status and future needs for multiscale modeling in reaction engineering. This research topic is one of the most challenging and likewise most interdisciplinary in the chemical engineering community, today. Although it is progressing fast in terms of methods development, it is only slowly applied by most reaction engineers. Therefore, this perspective is aimed to promote this field and facilitate research and a common understanding. It involves the following areas: (1) reactors and cells with surface changes focusing on Density Functional Theory and Monte-Carlo simulations; (2) hierarchically-based microkinetic analysis of heterogeneous catalytic processes including structure sensitivity, microkinetic mechanism development, and parameter estimation; (3) coupling first-principles kinetic models and CFD simulations of catalytic reactors covering chemistry acceleration strategies and surrogate models; and finally (4) catalyst-reactor-plant systems with details on linking CFD with plant simulations, respectively. It therefore highlights recent achievements, challenges, and future needs for fueling this urgent research topic in reaction engineering