Modeling and Optimization of a Green Ammonia Synthesis Loop Across a Wide Production Load Range

“Power-to-ammonia” is widely regarded as a viable solution for large-scale consumption of wind and solar power, as well as for deep decarbonization in the energy and chemical sectors. However, the intermittent nature of renewable energy requires ammonia synthesis systems to operate across a wide and varying range of loads, posing challenges to their economic viability. To address this, we develop a simulation and optimization methodology for ammonia reactor operation under varying loads. Firstly, a high-fidelity reactor model is developed based on the reactor’s structural characteristics by incorporating reaction kinetics and thermodynamic mechanisms. This reactor model is then integrated with compression and separation units. To ensure computational efficiency, surrogate models are developed to approximate the ammonia synthesis and flash separation units. A case study of an ammonia plant with a nominal production rate of 100,000 tons/year is conducted to demonstrate the effectiveness of the proposed method. The results indicate that the feasible operation region of the reactor narrows significantly as the system production load decreases. System operation parameters, including reactor inlet temperature, reactor pressure, and ammonia separation temperature, are optimized for the ammonia synthesis loop over a wide operating window from 30% to 100% of nominal capacity. It is recommended to increase the system inlet temperature as the production load decreases, thereby compensating for the reduced heat release per unit product resulting from the decreased system pressure.