Low- and intermediate-temperature ammonia/hydrogen oxidation in a flow reactor: Experiments and a wide-range kinetic modeling

Stagni, Alessandro; Arunthanayothin, Suphaporn; Dehue, Mathilde; Herbinet, Olivier; Battin‐Leclerc, Frédérique; Bréquigny, Pierre; Mounaïm‐Rousselle, Christine; Faravelli, Tiziano

doi:10.1016/j.cej.2023.144577

Cited by 41 publications

(7 citation statements)

References 86 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Flow reactor studies of oxidation of NH 3 /H 2 mixtures have been reported by several groups − and novel data are presented in the present work. In the kinetic analysis of these experiments, there are potential experimental artifacts that are important to address.…”

Section: Resultsmentioning

confidence: 73%

“…The model captures well the onset temperature of the reaction, and the predictions of NH 3 and O 2 are mostly in satisfactory agreement with the experiment. However, the consumption of H 2 above 1000 K is strongly underpredicted, while the NH 3 consumption is overpredicted above 1200 K. This discrepancy persists also for other tested mechanisms, including the recent model from Stagni et al 50 Figure 3 shows results for a lean mixture with approximately 1000 ppm of NH 3 , 500 ppm of H 2 , and 4000 ppm of O 2 . Again, the reaction is initiated above 1000 K, and at 1200 K, both NH 3 and H 2 are fully consumed.…”

Section: Nonpremixed Flow Reactor Resultsmentioning

confidence: 83%

Section: Resultsmentioning

confidence: 93%

“…Very recently, Stagni et al 50 investigated the impact of varying the H 2 fraction in the fuel mixture at nearstoichiometric conditions in a laminar flow reactor. Aware of the probability of reaction in the preheating region, they applied fully measured temperature profiles in their modeling.…”

Section: Premixed Flow Reactor Resultsmentioning

confidence: 99%

“…Aganesyan and Nalbandyan reported the effect of NH 3 addition on the first ignition limit for H 2 /O 2 mixtures in a batch reactor. The structure of premixed NH 3 /H 2 /O 2 flames was investigated in a series of papers by Vandooren, − while flame speed measurements are available from several research groups. ,− Also the stability and extinction of flames fueled by NH 3 /H 2 mixtures have been evaluated. − Ignition delay times have been reported from rapid compression machine (RCM) studies at medium temperatures and elevated pressure − and from shock tube work at higher temperatures. − The oxidation behavior of NH 3 /H 2 mixtures have been studied in flow reactors − and recently also in jet-stirred reactors. − …”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Alzueta,

Mercader,

Cuoci

et al. 2024

Energy Fuels

View full text Add to dashboard Cite

Hydrogen-assisted oxidation of ammonia under flow reactor conditions was investigated through experiments and chemical kinetic modeling. Novel experiments, conducted in a tubular laminar flow reactor as a function of the NH 3 /H 2 ratio, stoichiometry, and temperature (725−1475 K), were analyzed along with literature results from tubular and jet-stirred flow reactors. Ignition and oxidation of NH 3 is strongly promoted by the presence of H 2 under all conditions investigated. In general, the behavior is captured well by the kinetic model. With an increasing fraction of H 2 in the fuel mixture, the generation of chain carriers gradually shifts from being controlled by the amine reaction subset to being dominated by the oxidation chemistry of H 2 , which is known more accurately. However, under reducing conditions, the H 2 consumption rate is strongly underpredicted. This shortcoming suggests that the thermochemistry of amine radicals and/or the formation of higher amines need further assessment. The present analysis shows that for lean oxidation of NH 3 /H 2 mixtures in tubular flow reactors, data obtained at higher temperatures, particularly for NO formation, may be strongly affected by the reaction during preheating or by mixing (dependent on reactor design) in the inlet section prior to the isothermal zone. Modeling predictions for the high pressure, medium-temperature ignition conditions in a large diesel engine indicate that NH 3 /H 2 fuel mixtures may still require a cofuel to secure stable ignition.

show abstract

Section: Resultsmentioning

confidence: 73%

Section: Nonpremixed Flow Reactor Resultsmentioning

confidence: 83%

Section: Resultsmentioning

confidence: 93%

Section: Premixed Flow Reactor Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Alzueta,

Mercader,

Cuoci

et al. 2024

Energy Fuels

View full text Add to dashboard Cite

show abstract

Comparison of chemical mechanisms for the oxidation of hydrogen/ammonia mixtures based on different evaluation methods

Yuan,

Yang,

Deng

et al. 2024

Int J of Chemical Kinetics

View full text Add to dashboard Cite

For net‐zero carbon emissions, hydrogen/ammonia blends have drawn considerable attention for the application in industrial combustion devices. Various chemical mechanisms have been developed to describe the oxidation and combustion of hydrogen/ammonia mixtures at certain conditions. A comprehensive evaluation and comparison of the performance of these mechanisms is thus of high interest, especially in terms of their application for particular computational studies. Thus, this work aims to compare the existing chemical mechanisms in terms of their performance for the combustion of hydrogen/ammonia mixtures over a wide range of experimental conditions. In addition to previous literature studies, the model performance is evaluated by using two different methods for the assessment of prediction accuracy. Besides the conventional measure of point‐wise differences between model and data, the curve‐matching method is also applied, which quantifies the dependence of model response on physical conditions additionally, by comparing the similarity between the curve shapes of the predicted and measured results. Extensive experimental data are taken into account in the model evaluation, including 136 datasets obtained from various facilities in the past 10 years. Nineteen mechanisms are compared, which were published in recent five years. It is revealed that these models give strongly different numerical results for combustion targets, such as laminar burning velocities, ignition delay times, and species concentrations. The chemical mechanisms of Zhang et al. (2021), Han et al. (2023), Mei et al. (2019), Li et al. (2019), and Stagni et al. (2020) show relatively satisfactory performance over the entire investigated domain. Moreover, it is found that the estimated prediction accuracy of chemical mechanisms is highly sensitive to model evaluation methods.

show abstract

Toward zero carbon emissions: High thermal efficiency low speed two-stroke marine engine using pure ammonia fuel

Lu,

Ye,

et al. 2024

Applied Thermal Engineering

View full text Add to dashboard Cite

Low- and intermediate-temperature ammonia/hydrogen oxidation in a flow reactor: Experiments and a wide-range kinetic modeling

Cited by 41 publications

References 86 publications

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Comparison of chemical mechanisms for the oxidation of hydrogen/ammonia mixtures based on different evaluation methods

Toward zero carbon emissions: High thermal efficiency low speed two-stroke marine engine using pure ammonia fuel

Contact Info

Product

Resources

About