Understanding the Initial Decomposition Pathways of the <i>n</i>‐Alkane/Nitroalkane Binary Mixture

Guan, Yulei; Zhang, Ying; Yi, Chunhai; Yang, Bolun

doi:10.1002/cjoc.201300204

Cited by 14 publications

(3 citation statements)

References 41 publications

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“…The improvement effect on the conversion is first increased and then decreased, and the addition of 1, 2, and 4 wt % nitropropane increased the conversion of n -decane from 9.5% to 21.6%, 24.9%, and 26.8% at 887 K. In the presence of the initiator, the C–C bond cleavage reaction is no longer the initial decomposition reaction. By contrast, the C–N bond cleavage reaction of nitropropane, which produces propyl and nitro groups, changes the initial decomposition pathways and promotes the pyrolysis of the fuel. , The promoting effect of the initiator can be reflected in the reaction rate constant, which was calculated and is shown in Figure . Compared to the n -decane pyrolysis without an initiator, nitropropane as a good performance initiator additive to fuel increases the reaction rate constant when the fuel temperature is lower than 830 K, and the reaction rate constant of initiated pyrolysis decreases gradually to the same value of the n -decane pyrolysis without an initiator.…”

Section: Resultsmentioning

confidence: 99%

“…By contrast, the C−N bond cleavage reaction of nitropropane, which produces propyl and nitro groups, changes the initial decomposition pathways and promotes the pyrolysis of the fuel. 37,47 The promoting effect of the initiator can be reflected in the reaction rate constant, which was calculated and is shown in Figure 8. Compared to the n-decane pyrolysis without an initiator, nitropropane as a good performance initiator additive to fuel increases the reaction rate constant when the fuel temperature is lower than 830 K, and the reaction rate constant of initiated pyrolysis decreases gradually to the same value of the n-decane pyrolysis without an initiator.…”

Section: Effect Of Nitropropane On N-decane Conversionmentioning

confidence: 99%

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Experimental Investigation on Pyrolysis of n-Decane Initiated by Nitropropane under Supercritical Pressure in a Miniature Tube

Jia

Zhou

et al. 2019

Energy Fuels

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Adding an initiator is an effective method of promoting hydrocarbon pyrolysis and improving the heat sink of fuels. Nitropropane was proposed as an initiator with good performance, owing to its lower reaction activation energy for C–N bond cleavage. To study the effects of this initiator on hydrocarbon pyrolysis, a miniature tube reactor that can simulate a real heating procedure in an aeroengine was used to investigate the n-decane pyrolysis with and without nitropropane under experimental supercritical conditions. The results demonstrate that the nitropropane initiator promotes the pyrolysis of fuel as it flows through a tube with a large length–diameter ratio within a certain temperature range. The initial decomposition temperature of n-decane is reduced by approximately 100 K, and the increase in the conversion leads to a higher heat sink for n-decane, which can result in decreases in the fuel and reactor temperatures under the same heating condition and within the effective temperature range. A stronger promoting effect can be achieved by increasing the concentration of the nitropropane initiator. The variation laws for the n-decane pyrolysis reaction rate along the flow reactor are changed by the initiator, the presence of nitropropane greatly accelerates the pyrolysis reaction of fuel at a lower temperature, and the opposite tendency appears as the fuel temperature increases, which is caused by the consumption of the initiator. In addition, the selectivity of methane, propane, and alkenes, especially ethylene, increases because of the propyl radical generated by the C–N dissociation of nitropropane before the initiator is consumed.

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Section: Resultsmentioning

confidence: 99%

Section: Effect Of Nitropropane On N-decane Conversionmentioning

confidence: 99%

Experimental Investigation on Pyrolysis of n-Decane Initiated by Nitropropane under Supercritical Pressure in a Miniature Tube

Jia

Zhou

et al. 2019

Energy Fuels

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“…Chakraborty et al 24 found that the added initiator had an effect when the fuel pyrolysis rate was low, and its effect was negligible when the fuel pyrolysis rate was high. Guan et al 26,27 studied the initial pyrolysis path of n-alkane/nitro-alkane-initiated pyrolysis by the quantum chemical calculation method and obtained four possible initial reactions according to the calculation results of activation energy. In summary, the previous research on initiated pyrolysis focuses on macroscopic aspects such as improving the fuel pyrolysis rate and heat sink.…”

Section: Introductionmentioning

confidence: 99%

Experimental and Modeling Investigation on the Pyrolysis of n-Decane Initiated by Nitropropane. Part I: 1-Nitropropane

et al. 2023

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Initiators can accelerate the pyrolysis of hydrocarbon fuels, thereby reducing the required reaction temperature in the hypersonic vehicle heat exchanger/reactor. Nitro-alkanes are considered as efficient initiators due to their lower energy barrier of the C–N bond cleavage reaction. To research the mechanism of the initiation effect of nitro-alkanes on the decomposition of hydrocarbon fuel, synchrotron radiation vacuum ultraviolet photoionization-mass spectrometry (SVUV-PIMS) was employed to experimentally study the pyrolysis of n-C10H22, 1-C3H7NO2, and their binary mixtures in a flow tube under pressures of 30 and 760 Torr. The species identified and measured in the experiments included alkanes, alkenes, dialkenes, alkynes, nitrogen oxides, benzene, and free radicals, which revealed the mechanism of n-decane and 1-C3H7NO2 pyrolysis, as well as the interactions of the two fuels. Experiments show that the presence of 1-C3H7NO2 reduces the initial decomposition temperature of n-C10H22, and the increased pressures could achieve a stronger promoting effect on the conversion of n-C10H22. A detailed kinetic model containing 1769 reactions and 278 species was established and validated based on the mole fraction distributions of n-C10H22, major pyrolysis species, and important intermediates measured in pure fuel and initiated pyrolysis. The kinetic model can accurately predict the experimental data, and the mechanism of 1-C3H7NO2-initiated pyrolysis of n-C10H22 is analyzed with the model. The effect of 1-C3H7NO2 on the consumption of n-C10H22 and selectivity of cracked products is highlighted.

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Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane

Jia

Wang

Cheng

et al. 2016

Combustion and Flame

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Understanding the Initial Decomposition Pathways of the n‐Alkane/Nitroalkane Binary Mixture

Cited by 14 publications

References 41 publications

Experimental Investigation on Pyrolysis of n-Decane Initiated by Nitropropane under Supercritical Pressure in a Miniature Tube

Experimental Investigation on Pyrolysis of n-Decane Initiated by Nitropropane under Supercritical Pressure in a Miniature Tube

Experimental and Modeling Investigation on the Pyrolysis of n-Decane Initiated by Nitropropane. Part I: 1-Nitropropane

Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane

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