Theory and modeling of relevance to prompt-NO formation at high pressure

Klippenstein, Stephen J.; Pfeifle, Mark; Jasper, Ahren W.; Glarborg, Peter

doi:10.1016/j.combustflame.2018.04.029

Cited by 72 publications

(95 citation statements)

References 82 publications

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“…HNCN potential energy surface from Klippenstein et al [82]. Their calculated values of k 8 + k 9 are below those derived by Fassheber et al [78] by more than a factor of two at 2000 K. This dierence has implications for modeling predictions of prompt NO formation and more work is required to resolve this issue.…”

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 82%

“…has been derived both experimentally [87,88] and theoretically [77,82,89,90]. Figure 5 shows an Arrhenius plot for the reaction.…”

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

“…They determined a value for k 4 with an uncertainty of a factor of two, owing mostly to the uncertainty in the heat of formation for NCN. Recently, Klippenstein et al [82] reanalyzed the reactions on the HNCN potential energy surface. They obtained a value for k 4 , adopted in the present work, that is slightly higher than the rate constant from Harding et al and the measurements of Vasudevan et al (Fig.…”

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

“…In addition, Lin and coworkers have studied theoretically a number of reactions, including NCN + H [92], NCN + O [84], NCN + OH [93] and NCN + O 2 [94]. Very recently, Klippenstein et al [82] reported a theoretical study of NCN + H and NCN + OH. The present subset for NCN relies mostly on the experimental results of Friedrichs and coworkers and the theoretical work of Klippenstein et al…”

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

“…The symbols denote measurements of the overall rate constant from Fassheber et al [78] and for reaction R8 from Vasudevan et al [88]. Lines denote values of rate constants calculated by Klippenstein et al [82].…”

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

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Section: Reaction Subset For Prompt No Formationmentioning

confidence: 82%

“…has been derived both experimentally [87,88] and theoretically [77,82,89,90]. Figure 5 shows an Arrhenius plot for the reaction.…”

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

Section: Reaction Subset For Prompt No Formationmentioning

confidence: 99%

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Experimental and numerical analyses of nitrogen oxides formation in a high ammonia-low hydrogen blend using a tangential swirl burner

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Ammonia has been considered as a novel fuel for decarbonization purposes. However, emissions from combustion systems are still posing a problem. Therefore, experimental and numerical simulations have been conducted to study the concentration of exhaust emissions (Nitric oxide “NO”, Nitrous oxide “N2O”) from burning the ammonia/hydrogen (NH3/H2) blend 85/15 (vol%). The effects were measured at various thermal powers ranging 10 to 20 kW and with different Reynolds numbers from 20,000—40,000. The experimental points were numerically investigated in the Ansys CHEMKIN-Pro environment employing seven chemical kinetic mechanisms taken from the literature. All experiments have been undertaken at standard atmospheric conditions. The experimental results showed that both NO and N2O gradually increased when the Reynolds number increased from 20,000 to 40,000. Along with that, the concentration of NO emissions at the exhaust reported minimum level when the Re = 20,000 due to lower reactivity radical formation, all that led to a deterioration of the flame characteristics. Also, the integrated radical intensities of NO*, OH*, NH*, and NH2* demonstrate an increasing trend as Re increased from 20,000 to 40,000. In terms of thermal power, N2O suffered an abrupt decrease when the thermal power increased up to 15 kW, while the opposite occurs for NO. In addition, the radicals intensity of OH*, NH*and NH2* figures show an increase in their concentration when the thermal power increased up to 15 kW then decreased with increasing thermal intensity to reach 20 kW, reflecting into increased NO productions and decreased N2O levels. The numerical analysis showed that Stagni, Bertolino, and Bowen Mei were the most accurate mechanisms as these give a good prediction for NO and N2O. The study also showed that the chemical reaction (HNO + O2 ↔ NO + HO2) is the main source of NO formation. While the chemical reaction (NH + NO ↔ N2O + H) is responsible for the formation of N2O by consuming NO and when there will be abundance in NH radicals. Finally, dealing with a blended fuel of high ammonia concentration encourages ammonia chemistry to become more dominant in the flame. It decreases the flame temperature, hence lowering heat loss between the flame and the surrounding.

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Theory and modeling of relevance to prompt-NO formation at high pressure

Cited by 72 publications

References 82 publications

Modeling nitrogen chemistry in combustion

Modeling nitrogen chemistry in combustion

Pressure effect on NO emission in methane/air lean-premixed flames

Experimental and numerical analyses of nitrogen oxides formation in a high ammonia-low hydrogen blend using a tangential swirl burner

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