Chemical kinetic study of ammonia with propane on combustion control and NO formation

Yin, Guang; Xiao, Bo; Zhan, Haochen; Hu, Erjiang; Huang, Zuohua

doi:10.1016/j.combustflame.2023.112617

Cited by 25 publications

(3 citation statements)

References 50 publications

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“…In case 4, with the decrease of equivalence ratio, the formation of NO is also significantly reduced. As the equivalence ratio decreases, Recently, researchers have reached similar conclusions on the NO emission trends of propane-ammonia-blended fuels [28,29]. Regarding the nonmonotonic trend of NO concentrations, the pathway analysis shows that from the temperature of 900 K to 1000 K, NO formation reactions are less favorable and more NO is consumed.…”

Section: Distribution and Analysis Of Nomentioning

confidence: 79%

Numerical Simulation of a Gas Burner Using Mixed Propane/Ammonia Fuel

Xiao,

Wang,

Chen

et al. 2024

International Journal of Energy Research

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In recent years, ammonia has received more and more interest to be used as carbon-free energy. In the present study, a computational model of a burner for the domestic hot water boiler in the building has been developed. The combustion characteristics of propane/ammonia-mixed fuel in the burner were investigated by numerical simulation under different ammonia blending ratios and equivalence ratios. Based on the flue gas concentration distribution of the numerical simulation results, the baseline carbon emission of hot water supply in a community was calculated. The results show that as the ammonia blending ratio increases, the overall combustion temperature decreases. At the outlet of the burner, when the ammonia blending ratio is 0.5, the emission concentration of carbon dioxide can be reduced by 31.4% compared to pure propane combustion. When the ammonia blending ratio increases from 0 to 50%, the carbon baseline emission decreases from 9.89 kg/GJ to 6.87 kg/GJ, and the carbon emission under the baseline decreases from 17.20 T to 11.94 T. The emission of NO pollutants remains basically unchanged due to the decrease of combustion temperature. It indicates that the mixed fuels can effectively reduce carbon emissions in domestic water heaters and have good potential for future application.

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Section: Distribution and Analysis Of Nomentioning

confidence: 79%

Numerical Simulation of a Gas Burner Using Mixed Propane/Ammonia Fuel

Xiao,

Wang,

Chen

et al. 2024

International Journal of Energy Research

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“…Additionally, it is demonstrated that the mechanism can be integrated with hydrocarbons to predict NO formation in hydrocarbon flames . The carbon–nitrogen chemistry interactions are incorporated from the later work by Shrestha et al Notably, together with the carbon–nitrogen chemistry, the applied mechanism includes representation of N 2 O and NO x , which Yin et al demonstrated could be reasonably predicted in their evaluation of chemical mechanisms for ammonia jet-stirred reactor experiments. It should be noted that these experiments were performed at atmospheric pressures, whereas in the present work, a pressure of 60 bar is used.…”

Section: Methodsmentioning

confidence: 99%

Ammonia in Dual-Fueled Internal Combustion Engines: Impact on NO_x, N₂O, and Soot Formation

Pedersen,

Lewandowski,

Schulze-Netzer

et al. 2023

Energy Fuels

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The combustion of ammonia in internal combustion engines (ICE) releases nitrogen-related exhaust emissions. Numerous studies have shown that the increased formation of nitrous oxide (N 2 O) may offset ammonia's carbon-free advantages, leading to a higher greenhouse gas potential than fossil fuels. Moreover, nitrogen contained in ammonia further promotes an increase in NO x formation. This study aims to expand the understanding of emission formation in dual-fuel ICEs when using ammonia as a fuel. By constant-pressure reactor simulations coupled with detailed reaction kinetics, the concept of equivalence ratio−temperature diagrams was employed to characterize conditions featuring high NO x , N 2 O, and soot concentrations. The diagrams were obtained for pure ammonia, pure n-heptane, and three blends with ammonia energy shares (AES) of 20, 50, and 80%. Our findings strengthen the perception that high concentrations of N 2 O in ICEs are related to incomplete combustion. A higher AES leads to increased N 2 O concentration during the ignition, going from single-digit ppm levels for pure n-heptane to conditions featuring levels 3 orders of magnitude higher for pure ammonia. In fully burned mixtures, N 2 O emissions feature a low fuel dependency and single-digit concentration levels only at low equivalence ratios and high temperatures. Further, varying contributions from the fuel NO, prompt NO, and thermal De-NO x mechanisms were observed with fuel composition; however, the thermal NO contribution led to a fuel-independent behavior for NO x emissions at temperatures above 2600 K. The soot concentration decreases as the carbon content in the fuel decreases. In our configuration, the lowest equivalence ratio at which the 0.1% soot yield limit was observed was 2.20 for pure n-heptane, 2.65 for AES of 20%, 5.05 for 50% AES, and not attained for higher AES. Ultimately, it was found that in fuel-rich regimes and at fully burned conditions, low concentrations of NO x and N 2 O emissions are observed.

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“…The combustion characteristics and kinetics of ammonia and ammonia/hydrocarbon mixtures have been widely studied experimentally and theoretically. The ignition delay times of ammonia/hydrocarbon mixtures were measured using a rapid compression machine − and a shock tube ,− and the speciation profiles during the oxidation were detected with the flow reactor. − Several mechanisms were also developed based on experiments or calculations for ammonia/hydrocarbon mixture fuels, and the H atom abstraction reactions by amine radical ṄH 2 from fuels play an important role in prompting autoignition of fuel mixtures. ,,, Dai et al established the NH 3 /CH 4 mechanism and emphasized that amine radicals affect the oxidation of methane at an early stage, and the H atom abstraction reaction from methane by ṄH 2 contributes significantly to the consumption of methane. Li et al calculated the rate constants of reactions ṄH 2 +CH 3 OH⇌NH 3 +ĊH 2 OH/CH 3 O, which were proven to be mainly responsible for the consumption of NH 3 with 20% ethanol addition via reaction pathway analysis.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation on the H Atom Abstraction Reaction from C1–C4 Alkanes and Alkenes by ṄH₂ Radicals

Liang,

2024

J. Phys. Chem. A

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The H atom abstraction reactions from alkanes and alkenes by N ̇H2 are decisive in predicting the combustion characteristics of NH 3 /CxHy binary fuels. Theoretical investigation is carried out on the energy barriers of H atom abstraction reactions from C1−C4 alkanes/alkenes by N ̇H2 radicals at the QCISD(T)/CBS//M06−2X/6−311++G(d,p) level of theory. Singlepoint energies of each species are computed using QCISD(T)/cc-pVDZ, TZ level of theories with basis set corrections from MP2/ cc-pVDZ, TZ, and QZ methods. One-dimensional hindered rotor potentials are obtained by the M06-2X/cc-pVTZ method with 10°i ncrement. Rate constants of each channel across temperatures of 298.15−2000 K are calculated by solving the RRKM/Master Equation with conventional transition state theory. For alkanes, rate constants order follows k tertiary > k secondary > k primary , while for alkenes the order follows k allylic > k primary > k vinylic . Among the vinylic carbon sites within the same alkene species, the hydrogen atom sharing the same carbon with the allylic carbon on the C−C double bond is the preferred site for the H atom abstraction reaction. The branching ratio results indicate that the abstraction from tertiary or secondary carbon sites on alkanes and allylic carbon sites on alkenes are dominating during the investigated temperature range but become less important as the temperature increases. The data provided in this work are in good agreement with the literature data, but for the N ̇H2 +alkenes system, the literature data are scarce and further investigation is needed.

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Chemical kinetic study of ammonia with propane on combustion control and NO formation

Cited by 25 publications

References 50 publications

Numerical Simulation of a Gas Burner Using Mixed Propane/Ammonia Fuel

Numerical Simulation of a Gas Burner Using Mixed Propane/Ammonia Fuel

Ammonia in Dual-Fueled Internal Combustion Engines: Impact on NO_x, N₂O, and Soot Formation

Theoretical Investigation on the H Atom Abstraction Reaction from C1–C4 Alkanes and Alkenes by ṄH₂ Radicals

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Chemical kinetic study of ammonia with propane on combustion control and NO formation

Cited by 25 publications

References 50 publications

Numerical Simulation of a Gas Burner Using Mixed Propane/Ammonia Fuel

Numerical Simulation of a Gas Burner Using Mixed Propane/Ammonia Fuel

Ammonia in Dual-Fueled Internal Combustion Engines: Impact on NOx, N2O, and Soot Formation

Theoretical Investigation on the H Atom Abstraction Reaction from C1–C4 Alkanes and Alkenes by ṄH2 Radicals

Contact Info

Product

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Ammonia in Dual-Fueled Internal Combustion Engines: Impact on NO_x, N₂O, and Soot Formation

Theoretical Investigation on the H Atom Abstraction Reaction from C1–C4 Alkanes and Alkenes by ṄH₂ Radicals