An experimental and modeling study of ammonia pyrolysis

Alturaifi, Sulaiman A.; Mathieu, Olivier; Petersen, Eric L.

doi:10.1016/j.combustflame.2021.111694

Cited by 57 publications

(21 citation statements)

References 75 publications

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“…This allowed us to know the baseline performance of each tested thermal mechanism and provided a reference to evaluate the effect of the modification in each mechanism on the model prediction. Figure shows the experimentally obtained results for the thermal decomposition of NH 3 (black symbols) and the modeling results for the three different thermal NH 3 mechanisms: Mech-1, Mech-2, and Mech-3 (blue, red, and green dashed lines, respectively). Modified versions of all three mechanisms (which we will discuss in section below) are also depicted in Figure using the corresponding-colored solid lines.…”

Section: Resultsmentioning

confidence: 99%

“…In this regard, we compiled the plasma mechanism for NH 3 /H 2 /N 2 (143 reactions with electrons, ions, and excited species, see the SI) and coupled it with three different available thermal mechanisms for NH 3 to compare the performance of each mechanism: one from Zhang et al . developed for NH 3 combustion (Mech-1), one from Alturaifi et al developed for thermal NH 3 pyrolysis (Mech-2), and one from van’t Veer et al developed for plasma assisted NH 3 synthesis (Mech-3). As we will discuss in section , we made several changes to all three existing thermal mechanisms.…”

Section: Experimental and Numerical Methodsmentioning

confidence: 99%

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Kinetic Study for Plasma Assisted Cracking of NH₃: Approaches and Challenges

2023

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Ammonia is considered as one of the promising hydrogen carriers toward a sustainable world. Plasma assisted decomposition of NH 3 could provide cost-and energy-effective, lowtemperature, on-demand (partial) cracking of NH 3 into H 2 . Here, we presented a temperature-dependent plasma-chemical kinetic study to investigate the role of both electron-induced reactions and thermally induced reactions on the decomposition of NH 3 . We employed a plasma-chemical kinetic model (KAUSTKin), developed a plasmachemical reaction mechanism for the numerical analysis, and introduced a temperature-controlled dielectric barrier discharge reactor for the experimental investigation using 1 mol % NH 3 diluted in N 2 . As a result, we observed the plasma significantly lowered the cracking temperature and found that the plasma-chemical mechanism should be further improved to better predict the experiment. The commonly used rates for the key NH 3 pyrolysis reaction (NH 3 + M ↔ NH 2 + H + M) significantly overpredicted the recombination rate at temperatures below 600 K. Furthermore, the other identified shortcomings in the available data are (i) thermal hydrazine chemistry, (ii) electron-scattering cross-section data of N x H y , (iii) electron-impact dissociation of N 2 , and (iv) dissociative quenching of excited states of N 2 . We believe that the present study will spark fundamental interest to address these shortcomings and contribute to technical advancements in plasma assisted NH 3 cracking technology.

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Section: Resultsmentioning

confidence: 99%

Section: Experimental and Numerical Methodsmentioning

confidence: 99%

Kinetic Study for Plasma Assisted Cracking of NH₃: Approaches and Challenges

2023

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“…In this section, selected published experiments, relevant for the importance of , are reinterpreted. The experiments were conducted in shock tubes, flow reactors, and jet-stirred reactors, and include data for NH 3 pyrolysis, ,,, NH 3 oxidation, and N 2 O/H 2 mixtures . The chemical kinetic model used in the simulations was adopted from Glarborg .…”

Section: Kinetic Modelingmentioning

confidence: 99%

“…Ammonia pyrolysis in shock tubes has been studied by a number of groups. ,,,− The shock tube results selected for analysis were chosen mostly because they had been used in the past to justify the existence of . However, we have also included the results of Alturaifi et al in the analysis since they are more reliable than most of the older studies.…”

Section: Kinetic Modelingmentioning

confidence: 99%

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Probing High-Temperature Amine Chemistry: Is the Reaction NH₃ + NH₂ ⇄ N₂H₃ + H₂ Important?

Marshall

Glarborg

2023

J. Phys. Chem. A

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The reaction NH 3 + NH 2 ⇄ N 2 H 3 + H 2 (R1) has been identified as a key step to explain experimental results for pyrolysis and oxidation of ammonia. However, no direct experimental or theoretical evidence for the reaction has been reported. In the present work, the reaction was studied by ab initio theory and by reinterpretation of experimental data. We could not locate a transition state for R1 occurring as a direct process, but alternative mechanisms yielded an upper bound to k 1 of 1.5 × 10 13 exp(−58.9 kcal mol −1 /RT) cm 3 mol −1 s −1 over 1000−2500 K, several orders of magnitude lower than values applied in modeling. Consistent with the theoretical work, re-evaluation of NH 3 pyrolysis data supported a very low value of k 1 . However, this finding opens up a novel unresolved issue. Current kinetic models cannot capture the NH 3 oxidation behavior in a number of laminar flow reactor and jet-stirred reactor experiments without adopting an improbably high value for k 1 . Important oxidation steps might be underestimated or missing from mechanisms.

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MILD Combustion of Ammonia, from Kinetics to Applications

Sabia,

Sorrentino,

Manna

et al. 2024

Energy, Environment, and Sustainability

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An experimental and modeling study of ammonia pyrolysis

Cited by 57 publications

References 75 publications

Kinetic Study for Plasma Assisted Cracking of NH₃: Approaches and Challenges

Kinetic Study for Plasma Assisted Cracking of NH₃: Approaches and Challenges

Probing High-Temperature Amine Chemistry: Is the Reaction NH₃ + NH₂ ⇄ N₂H₃ + H₂ Important?

MILD Combustion of Ammonia, from Kinetics to Applications

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An experimental and modeling study of ammonia pyrolysis

Cited by 57 publications

References 75 publications

Kinetic Study for Plasma Assisted Cracking of NH3: Approaches and Challenges

Kinetic Study for Plasma Assisted Cracking of NH3: Approaches and Challenges

Probing High-Temperature Amine Chemistry: Is the Reaction NH3 + NH2 ⇄ N2H3 + H2 Important?

MILD Combustion of Ammonia, from Kinetics to Applications

Contact Info

Product

Resources

About

Kinetic Study for Plasma Assisted Cracking of NH₃: Approaches and Challenges

Kinetic Study for Plasma Assisted Cracking of NH₃: Approaches and Challenges

Probing High-Temperature Amine Chemistry: Is the Reaction NH₃ + NH₂ ⇄ N₂H₃ + H₂ Important?