First studies on in situ NH3 separation have proven that it is possible to combine NH3 synthesis and sorptive removal in one vessel. Movick et al. used zeolite 4A for in situ NH3 removal at temperatures up to 200 °C and showed that the reaction rate over a Ru/CeO2 catalyst was significantly enhanced even at low conversions. Rouwenhorst et al. found that zeolite 4A is also applicable for in situ separation of NH3 in plasma-based NH3 synthesis, where the removal of NH3 from the gas phase prevents it from being decomposed. Smith and Torrente-Murciano used MnCl2 supported on SiO2 as an in situ sorbent material and obtained > 95 % conversion over a Ru/Cs/CeO2 catalyst. In a second study, they demonstrated the applicability of a commercial Fe-based catalyst and MnCl2/SiO2 for in situ NH3 separation. In our previous work, the combination of NH3 synthesis over a commercial Fe-based catalyst and in situ NH3 separation with MnCl2/AC was investigated for temperatures up to 400 °C and pressures up to 80 bar. While sorption-enhanced NH3 synthesis has been demonstrated experimentally by different research groups , the study at hand focuses on evaluating the theoretical potential of SEAS by both equilibrium and reactor modeling considering MgCl2 as sorbent. Sorptionenhanced reaction processes are known to shift the chemical equilibrium, yet investigations in quantification of this equilibrium shift actually are still missing. For this purpose, a nonstoichiometric model for calculation of the simultaneous NH3 synthesis and sorption equilibrium is developed and validated herein. Additionally, reactor simulations using recently established kinetics for both modern Fe-and Ru-based catalysts are performed to determine under which conditions the shifted equilibrium can be approached and thereby uncover meaningful process parameters for SEAS.