Multiscale Analysis and Rational Design of Dynamically Operated Integrated Catalyst-Reactor Systems for Methanation of CO2

在德国，“能源转型”的实现依赖于通过将电能转化为由水电解产生的氢来进行有效的能量储存。为此，氢气可以通过CO2的氢化直接转化为合成甲烷。甲烷不仅是能源储存的关键物质，也是化学工业价值链的关键物质。考虑到氢气供应的波动，希望在能够科普动态变化的进料流的催化反应器中进行CO2甲烷化反应。然而，很少有人知道到目前为止的设计原理的动态操作的催化反应器和稳定的催化剂系统能够承受的气体组成和温度的时间变化。一个一致的多尺度分析的系统动力学，涵盖了广泛的时间和长度scales.The拟议的研究项目的反应和运输过程，主要是missing.The考虑的非均相催化气相加氢CO2甲烷使用负载型Ni和Ru催化剂。它有两个主要目标：1）与质量和能量传输现象耦合的催化反应的动态多尺度分析，即从催化剂颗粒上的活性位点到反应器尺度，2）在考虑所有可在微尺度上获得的设计变量的情况下，能够处理动态操作条件的新型集成催化剂-反应器系统的合理设计（活性催化剂相），中尺度（多孔催化剂颗粒）和宏观尺度为实现这些目标，该项目联营集团结合了以下方面的跨学科专门知识：a）催化材料设计和表征（Roger Gläser教授，莱比锡），B）通过非原位、原位和操作方法对催化剂进行空间分辨监测（托马斯谢泼德博士，卡尔斯鲁厄），和c）催化系统的动态建模、模拟和优化（凯·桑德马赫教授，马格德堡）。

Realization of the "Energiewende" in Germany relies on efficient energy storage by conversion of electrical energy particularly into hydrogen generated by water electrolysis. For that purpose, hydrogen can directly be converted into synthetic methane via hydrogenation of CO2. Methane is a key substance not only for energy storage, but also for the value chain of the chemical industry.In view of the fluctuating supply of hydrogen, it would be desirable to perform the CO2 methanation reaction in catalytic reactors able to cope with dynamically changing feed streams. However, little is known so far about the design principles of dynamically operating catalytic reactors and stable catalyst systems able to withstand temporal changes of the gas composition and temperature. A consistent multiscale analysis of the system dynamics, covering the involved reaction and transport processes on a broad spectrum of time and length scales, is largely missing.The proposed research project considers the heterogeneously catalyzed gas phase hydrogenation of CO2 to methane using supported Ni- and Ru-catalysts. It has two main objectives: 1) dynamic multiscale analysis of the catalytic reaction coupled with mass and energy transport phenomena, i.e. from the active site over the catalyst particle to the reactor scale,2) rational design of a novel integrated catalyst-reactor system able to deal with dynamic operating conditions, under consideration of all design variables available on microscale (active catalyst phase), mesoscale (porous catalyst particle) and macroscale (catalytic reactor).For attaining these objectives, the project consortium combines interdisciplinary expertise in: a) catalytic material design and characterization (Prof. Roger Gläser, Leipzig), b) spatially-resolved monitoring of catalysts via ex situ, in situ and operando methods (Dr. Thomas Sheppard, Karlsruhe), and c) dynamic modeling, simulation and optimization of catalytic systems (Prof. Kai Sundmacher, Magdeburg).