An experimental and kinetic modeling study on the low and intermediate temperatures oxidation of NH3/O2/Ar, NH3/H2/O2/Ar, NH3/CO/O2/Ar, and NH3/CH4/O2/Ar mixtures in a jet-stirred reactor

Zhou, Shangkun; Yang, Wenjun; Zheng, Shiqiang; Shi, Yu; Tan, Houzhang; Cui, Baochong; Wang, Jinhua; Deng, Shuanghui; Wang, Xuebin

doi:10.1016/j.combustflame.2022.112529

Cited by 6 publications

(13 citation statements)

References 44 publications

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“…Radical levels are typically higher at similar reactant levels, and ideally, there is no time/spatial dependency. In the past few years, several groups have conducted experiments on NH 3 /H 2 oxidation in jet-stirred reactors, − and we have included a number of these data sets in the present evaluation.…”

Section: 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%

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Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Alzueta,

Mercader,

Cuoci

et al. 2024

Energy Fuels

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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.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Alzueta,

Mercader,

Cuoci

et al. 2024

Energy Fuels

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“…The smallest deviation in predicting IDT of NH 3 is found by the Stagni mechanism followed by Zhang and Shrestha mechanisms. As shown in Figure , the Zhou mechanism has achieved the best performance, especially in SC, which is mainly attributed to the updates in N 2 O chemistry and NH 2 chemistry . Additionally, the main advantage of the Tian mechanism and Aru mechanism lies in the prediction of IDT, while the main advantage of the Zhou mechanism lies in the prediction of SC.…”

Section: Results and Discussionmentioning

confidence: 99%

“…Although the Aru model and Zhou model have similar CH 4 chemistry, the NH 3 chemistry and C–N interaction mechanism are totally different. The C–N interaction mechanism will significantly affect the production of key species such as NO and N 2 O and has a key impact on the prediction of SC . Therefore, a comprehensive comparison between the Aru model and Zhou model has been performed, and the Zhou model is selected for mechanism reduction.…”

Section: Results and Discussionmentioning

confidence: 99%

“…The Arunthanayothin kinetic model has significant biases in predicting laminar flame velocity and N 2 O formation . The Zhou kinetic model slightly overestimated the laminar flame velocity. , Overall, although numerous chemical reaction kinetic models for the cofiring of NH 3 /CH 4 have been developed, the comprehensive performance of these kinetic models in predicting laminar burning velocity (LBV), species concentration (SC), and ignition delay time (IDT) has not been thoroughly evaluated.…”

Section: Introductionmentioning

confidence: 99%

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Evaluation, Reduction, and Validation of a New Skeletal Mechanism for the Cofiring of NH₃ and CH₄

Li,

Jin,

Wang

et al. 2023

ACS Omega

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The evaluation and reduction of kinetic models for the cofiring of NH 3 and CH 4 can help to guide the application of NH 3 and CH 4 in industrial equipment. In this work, eight detailed kinetic models on the cofiring of NH 3 and CH 4 and 15 detailed kinetic models on the NH 3 combustion are collected and evaluated based on error function and experiment measurement, and the detailed mechanism of 169 species and 1268 elementary reactions with the best overall performance was determined. By using two mechanism reduction methods of directed relation graph with error propagation (DRGEP) and DRGEP with sensitivity analysis (DRGEPSA), the skeletal mechanism of 45 species and 344 elementary reactions is achieved within the temperatures of 1000–2000 K, pressures of 1–60 atm, and equivalence ratios of 0.5–2.0. The skeletal mechanism is comprehensively validated and achieves good consistency with the detailed mechanism in predicting the laminar burning velocity, species concentration, and ignition delay time. The maximum relative error between the skeletal mechanism and the detailed mechanism is less than 13%.

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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

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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.

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An experimental and kinetic modeling study on the low and intermediate temperatures oxidation of NH3/O2/Ar, NH3/H2/O2/Ar, NH3/CO/O2/Ar, and NH3/CH4/O2/Ar mixtures in a jet-stirred reactor

Cited by 6 publications

References 44 publications

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Evaluation, Reduction, and Validation of a New Skeletal Mechanism for the Cofiring of NH₃ and CH₄

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

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An experimental and kinetic modeling study on the low and intermediate temperatures oxidation of NH3/O2/Ar, NH3/H2/O2/Ar, NH3/CO/O2/Ar, and NH3/CH4/O2/Ar mixtures in a jet-stirred reactor

Cited by 6 publications

References 44 publications

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Flow Reactor Oxidation of Ammonia–Hydrogen Fuel Mixtures

Evaluation, Reduction, and Validation of a New Skeletal Mechanism for the Cofiring of NH3 and CH4

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

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Product

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Evaluation, Reduction, and Validation of a New Skeletal Mechanism for the Cofiring of NH₃ and CH₄