Multi‐Scale Simulation of a Novel Integrated Reactor for Hydrogen Production by Ammonia Decomposition

A novel reactor concept for ammonia decomposition utilizing tail gas from a purification unit as heat supply is presented. The designed micro‐structured reactor integrates both endothermic ammonia decomposition and exothermic tail gas combustion. The reactor and corresponding process are simulated using a mathematical multi‐scale model, which combines the results of multiple detailed computational fluid dynamics simulations into a fast surrogate model. The latter is coupled with a process simulation software via a so‐called container to simulate the entire process. The efficiency of the presented reactor concept is determined and benefits over alternative approaches are highlighted.