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A Dual Technical and Environmental Assessment of the Transition from Grey to Green Hydrogen in the Haber–Bosch Process: A Modelling and Simulation Approach
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1  Department of Process and Energy Engineering, National Higher School of Technology and Engineering, 23005 Annaba, Algeria.
2  Laboratory of Mining, Metallurgy and Materials L3M, National Higher School of Technology and Engineering, Annaba, Algeria.
Academic Editor: Milena Horvat

Abstract:

The transition from fossil-derived (grey) hydrogen to electrolytic (green) hydrogen in Haber-Bosch ammonia synthesis introduces substantial technical, energetic, and environmental challenges at the process level. This study provides an integrated technical and environmental assessment per 1 ton of NH3, combining detailed process simulation with system-level mass, energy, and emission accounting. Methodologically, the novelty lies in the coupled modelling framework that links electrolyser dynamics (including purity variations and intermittency) with the closed-loop behaviour of the ammonia synthesis section, allowing the quantification of stability limits and integration requirements under variable renewable operation. The approach further introduces a unified per-ton NH3 indicator set that simultaneously evaluates electrical demand, compression duty, CO2 intensity, and water consumption.

Stoichiometrically, the process requires 0.177 ton H2/ton NH3. Using proton-exchange-membrane electrolysis at 50 MWh/ton H2 results in an electrolytic demand of 8.85 MWh/ton NH3, and including a representative compression penalty of 1.5 MWh/ton H2 yields a total electrical requirement of about 9.12 MWh/ton NH3. From an environmental perspective, conventional SMR hydrogen (8.5 to 9.5 ton CO2/ton H2) corresponds to 1.50 to 1.68 ton CO2/ton NH3, whereas renewable energy-based electrolysis cuts direct process CO2 emissions by >95%, contingent on the grid carbon factor for upstream electricity. Water use, quantified at around 9 to 10 kg H2O per kg H2, implies 1.6 to 1.8 m3 of deionized water per ton NH3.

Simulation results show that hydrogen purity fluctuations and pulsating electrolyser output significantly affect loop conversion, recycle duty, and process stability, and that heat-integration and storage strategies are required to maintain steady operation under renewable intermittency. The unified performance indicators and dynamic-integration results generated in this work provide new design benchmarks for retrofitting existing plants and deploying next-generation low-carbon ammonia production systems.

Keywords: Ammonia, Grey hydrogen, Green hydrogen, simulation, Carbon footprint, Transition
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