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

CHEMIE INGENIEUR TECHNIK(2024)

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摘要
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. A new concept for hydrogen production by ammonia decomposition using tail gas from a pressure swing adsorption unit in an integrated micro-structured reactor is presented. A multi-scale process simulation model is provided, which combines process simulation with a surrogate reactor model derived from computational fluid dynamics simulations. image
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关键词
Ammonia decomposition,Computational fluid dynamics simulation,Hydrogen production,Multi-scale simulation,Process simulation
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