An exploratory modelling study of chemiluminescence in ammonia-fuelled flames. Part 2

Konnov, Alexander A.

doi:10.1016/j.combustflame.2023.112789

Combustion and Flame

2023

DOI: 10.1016/j.combustflame.2023.112789

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An exploratory modelling study of chemiluminescence in ammonia-fuelled flames. Part 2

Alexander A. Konnov

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2024

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Cited by 3 publications

References 132 publications

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Thermodynamic and Chemical Kinetic Parameters in Ammonia Oxidation: A Comparison of Recent Studies and Parameter Recommendations

Grinberg Dana,

Kaplan,

Keslin

et al. 2024

Energy Fuels

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Ammonia is a promising energy storage vector for renewable hydrogen and could become an essential part of the future energy mix. To efficiently utilize ammonia as a fuel, overcome its relatively low reactivity and high tailpipe emissions, and optimize the ratio of different additives, it is crucial to develop accurate chemical kinetic predictive abilities for this system. In this study, we review and compare thermo-kinetic parameters from 19 chemical kinetic reaction mechanisms published in the five-year period of 2018−2023. This comparison reveals a concerning inconsistency in the thermodynamic parameters used for many species in the H/N and H/N/O subsets. One species was even double-counted (having two distinct labels with two similar sets of reactions) in six of these recent mechanisms. Twelve reactions were identified for which the reported rate coefficient deviates by 3 orders of magnitude or more at 1000 K among the reviewed sources. Not all parameters in the literature mechanisms are trackable and properly cited. Ammonia modeling suffers from the "many-model" problem, with significant inconsistency in the parameter values used by different studies. The present work highlights some of these concerns and attempts to advance the current state of NH 3 oxidation modeling by suggesting a coherent set of parameters justified by other work in the literature or by quantum chemistry calculations reported here. It is recommended that future studies of ammonia modeling will properly justify the thermokinetic parameters they use� especially deviations from established values�make all parameter sources trackable, and provide a glossary of chemical structures to all species in the suggested reaction mechanism.

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Thermodynamic and Chemical Kinetic Parameters in Ammonia Oxidation: A Comparison of Recent Studies and Parameter Recommendations

Grinberg Dana,

Kaplan,

Keslin

et al. 2024

Energy Fuels

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Simulation study on combustion reaction mechanism and heat release rate of ammonia/methane fuels

Duan,

Gong,

Guo

et al. 2024

Energy Sources, Part A: Recovery, Utilization, and Environmenta

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The Effect of Mixture Variation and Initial Temperature on the NH2* Thickness of Spherically Propagating Laminar Ammonia Flames

Almarzooq,

Hay,

Khan-Ghauri

et al. 2024

Journal of Engineering for Gas Turbines and Power

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Interest in ammonia (NH3) in combustion has increased recently as a carbon-free fuel alternative. Understanding its combustion characteristics is crucial. One way to increase knowledge of ammonia combustion is by investigating the flame zone of a laminar flame. Using a high-spatial-resolution flame zone measurement technique developed by the current research group, the flame zone of different NH3-containing mixtures was measured experimentally. These measurements were achieved by investigating spherically propagating flames using a chemiluminescence imaging diagnostic with a focus on NH2* profiles. The effect of the fuel mixture on the profile shape was examined by investigating two different mixtures: an oxy-ammonia mixture consisting of NH3 + oxygen-enriched oxidizer with varying O2 concentrations from 25% to 40%, and a blend of NH3-H2 with NH3 concentrations (XNH3) varied from 0.5 to 0.8. Additionally, the effect of the initial temperature was investigated by varying it from 293 to 373 K. In all investigated mixtures, the initial pressure was fixed at 1 atm and the equivalence ratio at 1.0. The study revealed that increasing the O2 concentration in the oxy-ammonia mixture produced thinner flames, while increasing XNH3 in the NH3-H2 blend produced slightly thicker flames. Varying the initial temperature had different effects: it thinned the flame in the oxy-ammonia mixture and NH3-H2 blend, but slightly thickened the flame in the H2-NH3-N2 blend. The predicted NH2* profile thicknesses from chemical kinetics agreed with measurements, except for the H2-NH3-N2 blend.

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An exploratory modelling study of chemiluminescence in ammonia-fuelled flames. Part 2

Cited by 3 publications

References 132 publications

Thermodynamic and Chemical Kinetic Parameters in Ammonia Oxidation: A Comparison of Recent Studies and Parameter Recommendations

Thermodynamic and Chemical Kinetic Parameters in Ammonia Oxidation: A Comparison of Recent Studies and Parameter Recommendations

Simulation study on combustion reaction mechanism and heat release rate of ammonia/methane fuels

The Effect of Mixture Variation and Initial Temperature on the NH2* Thickness of Spherically Propagating Laminar Ammonia Flames

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