Electrification of ammonia cracking for on-demand hydrogen production: CFD modeling

This paper investigates the design, computational modeling, and thermal optimization of a compact macro-scale ammonia cracking reactor to enable efficient, scalable, and high-conversion hydrogen production through enhanced heat management and non-isothermal kinetic analysis. The non-isothermal behav...

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Main Authors: Hesam Maleki, Volfango Bertola
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Next Energy
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Online Access:http://www.sciencedirect.com/science/article/pii/S2949821X25000870
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author Hesam Maleki
Volfango Bertola
author_facet Hesam Maleki
Volfango Bertola
author_sort Hesam Maleki
collection DOAJ
description This paper investigates the design, computational modeling, and thermal optimization of a compact macro-scale ammonia cracking reactor to enable efficient, scalable, and high-conversion hydrogen production through enhanced heat management and non-isothermal kinetic analysis. The non-isothermal behavior of ammonia decomposition in a parallel plates macro-scale reactor is investigated by means of computational fluid dyinamics simulations, focusing on the optimization of the heat distribution to enhance performance and maintain a compact design. This approach addresses industrial need for efficient, zero-carbon hydrogen production from ammonia, and provides practical and scalable design solutions for thermal management in high-throughput endothermic reactions. Kinetic parameters for the reactor were determined based on a commercial catalyst, and simulations were conducted to solve mass and energy balance equations and to model reacting flow properties, including species mole fractions and NH3 conversion rates. A comprehensive heat transfer analysis was conducted to evaluate temperature gradients in both the heater and the reactor sections, aiming to minimize hot spots and improve internal heat distribution. Results show the optimized heating plates of the system can efficiently provide the required reaction heat, reducing temperature gradients across the system. Increasing the heater length enhanced surface contact and lowered the heat flux, minimizing the formation of hot spots. This optimized approach holds promise for enhancing the ammonia cracking reactor performance for high-throughput hydrogen generation.
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spelling doaj-art-7e89f2d7ad244abeb2159edbd9c2e0f72025-08-20T03:25:12ZengElsevierNext Energy2949-821X2025-07-01810032410.1016/j.nxener.2025.100324Electrification of ammonia cracking for on-demand hydrogen production: CFD modelingHesam Maleki0Volfango Bertola1Corresponding authors.; Laboratory of Technical Physics, University of Liverpool, Brownlow Hill, Liverpool, Merseyside, L69 3GH, United KingdomCorresponding authors.; Laboratory of Technical Physics, University of Liverpool, Brownlow Hill, Liverpool, Merseyside, L69 3GH, United KingdomThis paper investigates the design, computational modeling, and thermal optimization of a compact macro-scale ammonia cracking reactor to enable efficient, scalable, and high-conversion hydrogen production through enhanced heat management and non-isothermal kinetic analysis. The non-isothermal behavior of ammonia decomposition in a parallel plates macro-scale reactor is investigated by means of computational fluid dyinamics simulations, focusing on the optimization of the heat distribution to enhance performance and maintain a compact design. This approach addresses industrial need for efficient, zero-carbon hydrogen production from ammonia, and provides practical and scalable design solutions for thermal management in high-throughput endothermic reactions. Kinetic parameters for the reactor were determined based on a commercial catalyst, and simulations were conducted to solve mass and energy balance equations and to model reacting flow properties, including species mole fractions and NH3 conversion rates. A comprehensive heat transfer analysis was conducted to evaluate temperature gradients in both the heater and the reactor sections, aiming to minimize hot spots and improve internal heat distribution. Results show the optimized heating plates of the system can efficiently provide the required reaction heat, reducing temperature gradients across the system. Increasing the heater length enhanced surface contact and lowered the heat flux, minimizing the formation of hot spots. This optimized approach holds promise for enhancing the ammonia cracking reactor performance for high-throughput hydrogen generation.http://www.sciencedirect.com/science/article/pii/S2949821X25000870Ammonia crackerThermal managementNon-isothermal modelingHydrogen productionCFD
spellingShingle Hesam Maleki
Volfango Bertola
Electrification of ammonia cracking for on-demand hydrogen production: CFD modeling
Next Energy
Ammonia cracker
Thermal management
Non-isothermal modeling
Hydrogen production
CFD
title Electrification of ammonia cracking for on-demand hydrogen production: CFD modeling
title_full Electrification of ammonia cracking for on-demand hydrogen production: CFD modeling
title_fullStr Electrification of ammonia cracking for on-demand hydrogen production: CFD modeling
title_full_unstemmed Electrification of ammonia cracking for on-demand hydrogen production: CFD modeling
title_short Electrification of ammonia cracking for on-demand hydrogen production: CFD modeling
title_sort electrification of ammonia cracking for on demand hydrogen production cfd modeling
topic Ammonia cracker
Thermal management
Non-isothermal modeling
Hydrogen production
CFD
url http://www.sciencedirect.com/science/article/pii/S2949821X25000870
work_keys_str_mv AT hesammaleki electrificationofammoniacrackingforondemandhydrogenproductioncfdmodeling
AT volfangobertola electrificationofammoniacrackingforondemandhydrogenproductioncfdmodeling