Process intensification of the NH3 synthesis through in situ removal: Exploring the potential of sorption-enhancement

• Simulation of ideal separation reveals the potential of in situ NH 3 removal. • Enhancement effect is achieved in the thermodynamic as well as in the kinetic regime. • Spatial combination of Fe catalyst and MnCl 2 sorbent used for experimental demonstration. • Successful demonstration of sorption and reaction under similar conditions. • Experiments successfully validate the model-based potential for sorption enhancement. The projected increase in demand for renewable-based ammonia (NH 3 ) as hydrogen carrier or sustainable fuel stresses the need for efficient synthesis processes. The enhancement of the NH 3 synthesis through in situ NH 3 removal was identified as a promising process intensification strategy. This work aims to demonstrate the potential of the in situ removal based on reactor simulations and experimental investigations by applying the in situ sorption of NH 3 . A steady-state simulation study of NH 3 synthesis combined with ideal separation was employed to predict the potential of enhancement in NH 3 formation for an ideal benchmark case. The results show an increase in NH 3 formation in both, the equilibrium and the kinetic regime of the synthesis reaction. Furthermore, experiments in a fixed-bed reactor filled with a commercial iron catalyst and activated carbon impregnated with manganese chloride as a sorbent were conducted in different arrangements of catalyst and sorbent beds to demonstrate the feasibility of simultaneous sorption and reaction under similar conditions. A significant increase in produced molar flow rate of NH 3 was achieved through in situ sorptive removal, aligning well with model-based predictions. Hence, this work successfully highlights the potential of in situ NH 3 removal under industrially relevant reaction conditions and thereby the envisaged process intensification strategy.