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.

中文翻译：

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新型氨分解制氢集成反应器的多尺度模拟

提出了一种利用净化装置尾气作为热量供应的氨分解的新型反应器概念。设计的微结构反应器集吸热氨分解和放热尾气燃烧于一体。使用数学多尺度模型对反应器和相应的过程进行模拟，该模型将多个详细计算流体动力学模拟的结果组合成快速替代模型。后者通过所谓的容器与过程模拟软件相结合来模拟整个过程。确定了所提出的反应堆概念的效率，并强调了相对于替代方法的优点。