Proceedings of ESCAPE 36ISSN: 2818-4734
Volume: 5 (2026)
Table of Contents
LAPSE:2026.0329
Published Article
LAPSE:2026.0329
Modeling, Simulation, and Optimization of an Anion Exchange Membrane Cell for Ammonia Electrolysis
June 12, 2026
Abstract
The need to reduce greenhouse gas emissions and diversify energy sources has driven the development of hydrogen (H2) as a leading carbon-free energy vector with high gravimetric energy density (33.3 kWh/kg) for stationary and transport applications. However, its storage and transportation remain challenging. Therefore, ammonia emerges as a promising hydrogen carrier due to its high energy density and ease of liquefaction and transport. This work presents the development of a phenomenological based mathematical model for an ammonia electrolysis cell operating in a zero-gap configuration with an anion exchange membrane. The model considers the contributions of different overpotentials (activation, ohmic, concentration) and incorporates empirical and semi-phenomenological expressions adjusted to experimental data from Zhang et al [1]. The model shows both qualitative and quantitative agreement with experimental measurements, achieving a determination coefficient (R2) of 0.9874. Beyond electrochemical modeling, the cell model is integrated into a nonlinear programming (NLP) optimization framework to minimize the total annualized cost (TAC) of the system. For hydrogen production of 1250 kg/h, the optimal solution corresponds to 353 K, 0.82 A/cm2, and 1302 cells, yielding a TAC of about 45.0 MUSD/year.
Keywords
Ammonia electrolysis, Hydrogen production, Mathematical model, Optimization, Zero gap cell
Suggested Citation
Lefrán LEH, Avilez LAC, Bresciani AE, Nascimento CAOD, Alves RMB. Modeling, Simulation, and Optimization of an Anion Exchange Membrane Cell for Ammonia Electrolysis. Systems and Control Transactions 5:1007-1013 (2026) https://doi.org/10.69997/sct.177525
Author Affiliations
Lefrán LEH: Universidade de São Paulo, Escola Politécnica, Department of Chemical Engineering, São Paulo, São Paulo, Brazil [ORCID]
Avilez LAC: Universidade de São Paulo, Escola Politécnica, Department of Chemical Engineering, São Paulo, São Paulo, Brazil [ORCID]
Bresciani AE: Universidade de São Paulo, Escola Politécnica, Department of Chemical Engineering, São Paulo, São Paulo, Brazil
Nascimento CAOD: Universidade de São Paulo, Escola Politécnica, Department of Chemical Engineering, São Paulo, São Paulo, Brazil [ORCID]
Alves RMB: Universidade de São Paulo, Escola Politécnica, Department of Chemical Engineering, São Paulo, São Paulo, Brazil [ORCID]
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Journal Name
Systems and Control Transactions
Volume
5
First Page
1007
Last Page
1013
Year
2026
Publication Date
2026-06-12
Version Comments
Original Submission
Other Meta
PII: 1007-1013-142-SCT-5-2026, Publication Type: Journal Article
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LAPSE:2026.0329
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https://doi.org/10.69997/sct.177525
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References Cited
  1. Zhang K, Han Y, Zhao Y, Wei T, Fu J, Ren Z, Xu X, Zhou L, Shao Z. Energy-efficient and cost-effective ammonia electrolysis for converting ammonia to green hydrogen. Cell Reports Physical Science 5:102171 (2024) https://doi.org/10.1016/j.xcrp.2024.102171
  2. Mansilla C, Bourasseau C, Cany C, Guinot B, Le Duigou A, Lucchese P. Hydrogen applications: overview of the key economic issues and perspectives. Hydrogen Supply Chains :271-292 (2018) https://doi.org/10.1016/b978-0-12-811197-0.00007-5
  3. Niaz S, Manzoor T, Pandith AH. Hydrogen storage: materials, methods and perspectives. Renewable and Sustainable Energy Reviews 50:457-469 (2015) https://doi.org/10.1016/j.rser.2015.05.011
  4. Lucentini I, Garcia X, Vendrell X, Llorca J. Review of the decomposition of ammonia to generate hydrogen. Ind. Eng. Chem. Res. 60:18560-18611 (2021) https://doi.org/10.1021/acs.iecr.1c00843
  5. Baeck J. S-injective modules. Rev. Real Acad. Cienc. Exactas Fis. Nat. Ser. A-Mat. 118: (2023) https://doi.org/10.1007/s13398-023-01514-7
  6. Serrano-Jiménez J, Martín C, Pinzón M, Sánchez P, de la Osa AR. Exploring the potential of ammonia electrolysis for hydrogen production: from lab-performance to stack architectures. Current Opinion in Chemical Engineering 51:101204 (2026) https://doi.org/10.1016/j.coche.2025.101204
  7. Estejab A, Daramola DA, Botte GG. Mathematical model of a parallel plate ammonia electrolyzer for combined wastewater remediation and hydrogen production. Water Research 77:133-145 (2015) https://doi.org/10.1016/j.watres.2015.03.013
  8. Diaz LA, Botte GG. Mathematical modeling of ammonia electrooxidation kinetics in a polycrystalline pt rotating disk electrode. Electrochimica Acta 179:519-528 (2015) https://doi.org/10.1016/j.electacta.2014.12.162
  9. Gunuru M, Paravada M. Mathematical modeling of an AEMWE: investigating optimum operating conditions of an alkaline-fed AEM electrolyzer. International Journal of Hydrogen Energy 157:150320 (2025) https://doi.org/10.1016/j.ijhydene.2025.150320
  10. Gomez Vidales A, Millan NC, Bock C. Modeling of anion exchange membrane water electrolyzers: the influence of operating parameters. Chemical Engineering Research and Design 194:636-648 (2023) https://doi.org/10.1016/j.cherd.2023.05.004
  11. Chang SC, Gu RE, Chan YH. Parameter analysis of anion exchange membrane water electrolysis system by numerical simulation. Energies 17:5682 (2024) https://doi.org/10.3390/en17225682
  12. D. Lee, M. Kim, and I. Moon, Mathematical Modeling of Anion Exchange Membrane Water Electrolyzer, vol. 52. Elsevier Masson SAS, 2023.
  13. Abdin Z, Webb CJ, Gray EM. Modelling and simulation of an alkaline electrolyser cell. Energy 138:316-331 (2017) https://doi.org/10.1016/j.energy.2017.07.053
  14. Hu S, Guo B, Ding S, Yang F, Dang J, Liu B, Gu J, Ma J, Ouyang M. A comprehensive review of alkaline water electrolysis mathematical modeling. Applied Energy 327:120099 (2022) https://doi.org/10.1016/j.apenergy.2022.120099
  15. Garibaldi L, Blanco-Aguilera R, Berasategi J, Martinez-Agirre M, Giorgi G, Bracco G, Penalba M. Holistic and dynamic mathematical model for the assessment of offshore green hydrogen generation and electrolyser design optimisation. Energy Conversion and Management 294:117488 (2023) https://doi.org/10.1016/j.enconman.2023.117488
  16. Estejab A, Daramola DA, Botte GG. A semi-empirical model of ammonia electrolysis in comparison to water electrolysis. Meet. Abstr. MA2012-02:108-108 (2012) https://doi.org/10.1149/ma2012-02/2/108
  17. BALEJ J. Water vapour partial pressures and water activities in potassium and sodium hydroxide solutions over wide concentration and temperature ranges. International Journal of Hydrogen Energy 10:233-243 (1985) https://doi.org/10.1016/0360-3199(85)90093-x
  18. P. Virtanen et al., "SciPy 1.0: fundamental algorithms for scientific computing in Python, " Nat. Methods, vol. 17, no. 3, pp. 261-272, Mar. 2020.
  19. Bynum ML, Hackebeil GA, Hart WE, Laird CD, Nicholson BL, Siirola JD, Watson JP, Woodruff DL. Pyomo overview. Springer Optimization and Its Applications :25-36 (2021) https://doi.org/10.1007/978-3-030-68928-5_3
  20. Le Bideau D, Chocron O, Mandin P, Kiener P, Benbouzid M, Sellier M, Kim M, Ganci F, Inguanta R. Evolutionary design optimization of an alkaline water electrolysis cell for hydrogen production. Applied Sciences 10:8425 (2020) https://doi.org/10.3390/app10238425
  21. Eurostat, "Electricity and natural gas price statistics., " Stat. Explain. 2025.
  22. Wächter A, Biegler LT. On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming. Math. Program. 106:25-57 (2005) https://doi.org/10.1007/s10107-004-0559-y
  23. Rodríguez J, Amores E. CFD modeling and experimental validation of an alkaline water electrolysis cell for hydrogen production. Processes 8:1634 (2020) https://doi.org/10.3390/pr8121634
  24. Gwak J, Choun M, Lee J. Alkaline ammonia electrolysis on electrodeposited platinum for controllable hydrogen production. ChemSusChem 9:403-408 (2015) https://doi.org/10.1002/cssc.201501046
  25. Long H, Sit CY, Paliwal A, Cheng T, Gupta JK, Reynolds MA, Son YJ, Zhang K, Gewirth AA, Kenis PJA. Alkaline ammonia electrolysis in a membrane electrode assembly cell: parameter optimization and dynamic operation. EES Catal. 4:465-482 (2026) https://doi.org/10.1039/d5ey00324e
  26. M. R. Cerqueda, "Selección natural en el hidrógeno verde : Solo quedarán los mejores Autor, " 2024.
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