Modeling-aided coupling of catalysts, conditions, membranes, and reactors for efficient hydrogen production from ammonia

Realpe, Natalia; Kulkarni, Shekhar R.; Olmo, Jose Luis Cerrillo; Morlanés, Natalia; Lezcano, Gontzal; Katikaneni, Sai P.; Paglieri, Stephen N.; Rakib, Muntaha; Solami, Bandar; Gascón, Jorge; Castaño, Pedro

doi:10.1039/d2re00408a

Cited by 5 publications

(3 citation statements)

References 82 publications

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“…The result from their study showed that the rate of reaction is first-order dependent over the entire temperature and pressure range which is different compared to other studies [14]. Realpe et al determined that the optimization of hydrogen production cannot rely upon only one factor, such as the catalyst, by developing a dimensionless model of the membrane reactor [18]. The approach to improve the conversion of NH 3 needs to be all-rounded yet not only focused on the catalyst, as the conversion of NH 3 is also affected by the presence of a hydrogen-selective membrane.…”

Section: Literature Reviewmentioning

confidence: 82%

Numerical Simulation of Effective Heat Recapture Ammonia Pyrolysis System for Hydrogen Energy

Lim,

Ng,

Saeedipour

et al. 2024

Inventions

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This paper proposes a solution to address the challenges of high storage and transport costs associated with using hydrogen (H2) as an energy source. It suggests utilizing ammonia (NH3) as a hydrogen carrier to produce H2 onsite for hydrogen gas turbines. NH3 offers higher volumetric hydrogen density compared to liquid H2, potentially reducing shipping costs by 40%. The process involves NH3 pyrolysis, which utilizes the heat waste from exhaust gas generated by gas turbines to produce H2 and nitrogen (N2). Numerical simulations were conducted to design and understand the behaviour of the heat recapture NH3 decomposition system. The design considerations included the concept of the number of transfer units and heat exchanger efficiency, achieving a heat recapture system efficiency of up to 91%. The simulation of NH3 decomposition was performed using ANSYS, a commercial simulation software, considering wall surface reactions, turbulent flow, and chemical reaction. Parameters such as activation energy and pre-exponential factor were provided by a study utilizing a nickel wire for NH3 decomposition experiments. The conversion of NH3 reached up to 94% via a nickel-based catalyst within a temperature range of 823 K to 923 K which is the exhaust gas temperature range. Various factors were considered to compare the efficiency of the system, including the mass flow of NH3, operating gauge pressure, mass flow of exhaust gas, among others. Result showed that pressure would not affect the conversion of NH3 at temperatures above 800 K, thus a lower amount of energy is required for a compression purpose in this approach. The conversion is maintained at 94% to 97% when lower activation energy is applied via a ruthenium-based catalyst. Overall, this study showed the feasibility of utilizing convective heat transfer from exhaust gas in hydrogen production by NH3 pyrolysis, and this will further enhance the development of NH3 as the potential H2 carrier for onsite production in hydrogen power generation.

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Section: Literature Reviewmentioning

confidence: 82%

Numerical Simulation of Effective Heat Recapture Ammonia Pyrolysis System for Hydrogen Energy

Lim,

Ng,

Saeedipour

et al. 2024

Inventions

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show abstract

“…27 In this regard, we recently showed through extensive experimental data fitting for various catalysts that a non-Temkin-Pyzhev kinetic expression containing the equilibrium constant can represent the reaction kinetics for the high-pressure production of H 2 . 28 To unravel the disparity related to the RDS, each catalytic system needs a closer look using multiple approaches above and beyond the classical Temkin-Pyzhev model. 29 The problem of misidentifying the RDS also goes hand in hand with regarding N as the most abundant reaction intermediate, which contrasts with the observations of several modeling studies.…”

Section: Introductionmentioning

confidence: 99%

“…27 In this regard, we recently showed through extensive experimental data fitting for various catalysts that a non-Temkin–Pyzhev kinetic expression containing the equilibrium constant can represent the reaction kinetics for the high-pressure production of H 2 . 28…”

Section: Introductionmentioning

confidence: 99%

Elucidating the rate-determining step of ammonia decomposition on Ru-based catalysts using ab initio-grounded microkinetic modeling

Kulkarni

Realpe

Yerrayya

et al. 2023

Catal. Sci. Technol.

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Unraveling the promoter role of Ba in Co–Ce catalysts for ammonia decomposition using microkinetic modeling

Lezcano,

Realpe,

Kulkarni

et al. 2023

Chemical Engineering Journal

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Modeling-aided coupling of catalysts, conditions, membranes, and reactors for efficient hydrogen production from ammonia

Abstract: The production of high-purity, pressurized hydrogen from ammonia decomposition in a membrane catalytic reactor is a feasible technology. However, because of the multiple coupled parameters involved in the design of...

Cited by 5 publications

References 82 publications

Numerical Simulation of Effective Heat Recapture Ammonia Pyrolysis System for Hydrogen Energy

Numerical Simulation of Effective Heat Recapture Ammonia Pyrolysis System for Hydrogen Energy

Elucidating the rate-determining step of ammonia decomposition on Ru-based catalysts using ab initio-grounded microkinetic modeling

Unraveling the promoter role of Ba in Co–Ce catalysts for ammonia decomposition using microkinetic modeling

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