CFD modelling and optimization of ammonia synthesis-absorption integrated reactor under mild conditions
Hydrogen plays a vital role in the transition towards sustainable energy production. As a carbon-free hydrogen carrier, ammonia (NH3) has been gaining increasing attention recently. Traditional ammonia synthesis methods, such as the Haber-Bosch process, are highly energy intensive and contribute to overall CO2 emissions. Decentralized ammonia production integrated with renewable methods of hydrogen generation allows for reduced environmental impact. Compared to cryogenic separation, in-situ absorption shows promising results on intensification of the process and can be utilized under mild conditions. In this study, computational fluid dynamics (CFD) model of an ammonia synthesis-absorption integrated reactor under mild conditions was developed. The reactor design includes a catalyst bed followed by an absorbent bed, which can lead to conversions exceeding equilibrium. An optimization analysis of various catalyst and absorbent bed ratios and their effect on ammonia yield was conducted. The obtained results aim to contribute to the ongoing research on decentralized ammonia synthesis and the possibilities for hydrogen storage through absorbed ammonia. Keywords: ammonia, ammonia synthesis, CFD modelling, kinetic modelling, optimization.