Investigation on the oxidation chemistry of methanol in laminar premixed flames

Zhang, Xiaoyuan; Wang, Guoqing; Zou, Jiabiao; Li, Yuyang; Li, Wei; Li, Tianyu; Jin, Hanfeng; Zhou, Zhongyue; Lee, Yin‐Yu

doi:10.1016/j.combustflame.2017.02.016

Cited by 51 publications

(29 citation statements)

References 92 publications

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“…The extended Zhang et al model was developed here by adding the sub-mechanisms of C 1 -C 3 hydrocarbons. Among them, C 1 -C 2 mechanisms were taken from a previous base chemistry model for C 1 -C 2 hydrocarbon and oxygenated fuels [34][35][36], which has been validated against the comprehensive experimental targets of CH 2 O, CH 3 OH, CH 4 , C 2 H 2 , C 2 H 4 , C 2 H 6 and CH 3 CHO. The submechanism of C 3 H 8 was taken from GRI 3.0 [16], which has been validated against the experimental data of C 3 H 8 at high temperatures.…”

Section: Methodsmentioning

confidence: 99%

Counterflow flame extinction of ammonia and its blends with hydrogen and C1-C3 hydrocarbons

Alfazazi

Es-sebbar

Zhang

et al. 2022

Applications in Energy and Combustion Science

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Section: Methodsmentioning

confidence: 99%

Counterflow flame extinction of ammonia and its blends with hydrogen and C1-C3 hydrocarbons

Alfazazi

Es-sebbar

Zhang

et al. 2022

Applications in Energy and Combustion Science

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“…The experiments were carried out at the National Synchrotron Radiation Laboratory (NSRL) and National Synchrotron Radiation Research Center (NSRRC). Detailed descriptions of the beamlines can be found in our previous work, , and brief descriptions are provided in the Supporting Information. The flow reactor pyrolysis apparatus has been updated compared to our previous pyrolysis apparatus. ,, Figure a shows the schematic diagram.…”

Section: Experimental Methodsmentioning

confidence: 99%

Pyrolysis of n-Butylbenzene at Various Pressures: Influence of Long Side-Chain Structure on Alkylbenzene Pyrolysis

Zhang

Cao

et al. 2017

Energy Fuels

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This work investigates the pyrolysis of n-butylbenzene, which widely exists in transportation fuels and their surrogate mixtures. Both reactive and stable pyrolysis products were comprehensively detected with synchrotron vacuum ultraviolet photoionization mass spectrometry. Their mole fractions versus temperature were also evaluated at 30, 150, and 760 Torr. A kinetic model of n-butylbenzene pyrolysis was developed, and new data were used to validate the model. On the basis of the modeling analysis, the benzylic C–C bond dissociation that forms the benzyl radical and the propyl radical was found to be a key decomposition reaction of n-butylbenzene at all investigated pressures, whereas H abstraction provided increasing contributions with increasing pressure. Compared with small alkylbenzenes, such as toluene and ethylbenzene, n-butylbenzene demonstrates different pyrolysis characteristics and chemistry because of the existence of its long alkyl side chain. n-Butylbenzene has a higher pyrolysis reactivity and lower decomposition temperature regions, which inhibit the further decomposition of the benzyl radical and the formation of highly unsaturated C2–C4 products. As a result, conventional combination reactions between aromatic radicals and highly unsaturated C2–C4 species are only minor formation pathways for indene and naphthalene in n-butylbenzene pyrolysis, while fuel-specific pathways become crucial instead. Furthermore, combination reactions involving the benzyl radical and the phenyl radical are crucial for the formation of many PAHs, especially phenanthrene and fluorene. The results in this work reveal the strong influence of side-chain length on the pyrolysis chemistry of alkylbenzenes and indicate a further need for exploring the influences of other structural features.

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“…The experiment of chlorobenzene pyrolysis was performed at the Combustion Beamline (BL03U) of National Synchrotron Radiation Laboratory (NSRL), Hefei, China. The details of the experimental apparatus and the beamline have been described elsewhere. ,, Only a brief introduction of the experimental apparatus is given here. The apparatus consists of a pyrolysis chamber with an electrically heated flow tube, a differentially pumped molecular beam sampling system, and a photoionization chamber with a homemade reflection time-of-flight mass spectrometer (RTOF-MS). , …”

Section: Experimental Methodsmentioning

confidence: 99%

Atmospheric-Pressure Pyrolysis Study of Chlorobenzene Using Synchrotron Radiation Photoionization Mass Spectrometry

Zhu

Zhao

et al. 2021

J. Phys. Chem. A

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The pyrolysis of chlorobenzene (C6H5Cl) at 760 Torr was studied in the temperature range of 873–1223 K. The pyrolysis products including intermediates and chlorinated aromatics were detected and quantified via synchrotron radiation photoionization mass spectrometry. Furthermore, the photoionization cross sections of chlorobenzene were experimentally measured. On the basis of the experimental results, the decomposition pathways of chlorobenzene were discussed as well as the generation and consumption pathways of the main products. Benzene is the main product of chlorobenzene pyrolysis. Chlorobiphenyl (C12H9Cl), dichlorobiphenyl (C12H8Cl2), and chlorotriphenylene (C18H11Cl) predominated in trace chlorinated aromatic products. Chlorobenzene decomposed initially to form two radicals [chlorophenyl (·C6H4Cl) and phenyl (·C6H5)] and the important intermediate o-benzyne (o-C6H4). The propagation processes of chlorinated aromatics, including polychlorinated naphthalenes and polychlorinated biphenyls, were mainly triggered by chlorobenzene, chlorophenyl, and benzene via the even-numbered-carbon growth mechanism. Besides, the small-molecule products such as acetylene (C2H2), 1,3,5-hexatriyne (C6H2), and diacetylene (C4H2) were formed via the bond cleavage of o-benzyne (o-C6H4).

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Investigation on the oxidation chemistry of methanol in laminar premixed flames

Cited by 51 publications

References 92 publications

Counterflow flame extinction of ammonia and its blends with hydrogen and C1-C3 hydrocarbons

Counterflow flame extinction of ammonia and its blends with hydrogen and C1-C3 hydrocarbons

Pyrolysis of n-Butylbenzene at Various Pressures: Influence of Long Side-Chain Structure on Alkylbenzene Pyrolysis

Atmospheric-Pressure Pyrolysis Study of Chlorobenzene Using Synchrotron Radiation Photoionization Mass Spectrometry

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