Photoionization mass spectrometric studies and modeling of fuel-rich allene and propyne flames

Hansen, Nils; Miller, James A.; Taatjes, Craig A.; Wang, Juan; Cool, Terrill A.; Law, Matthew E.; Westmoreland, Phillip R.

doi:10.1016/j.proci.2006.07.045

Cited by 66 publications

(60 citation statements)

References 28 publications

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“…Within the series of C 4 H x (x ¼ 4, 6, and 8), several isomers have now been unambiguously identified to yield quantitative compositions. For example, butatriene, CH 2 ]C]C]CH 2 , the cumulene isomer of the well-known intermediate vinylacetylene, CH 2 ]CH-C^CH, has been observed in flames fueled by hydrocarbons [118,[177][178][179]. For C 4 H 6 , contributions from 1,3-butadiene (CH 2 ]CH-CH]CH 2 ), 1-butyne (CH^C-CH 2 -CH 3 ), and 2-butyne (CH 3 -C^C-CH 3 ) have been separated based on their different ionization energies, as seen in Fig.…”

Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

“…For C 4 H 6 , contributions from 1,3-butadiene (CH 2 ]CH-CH]CH 2 ), 1-butyne (CH^C-CH 2 -CH 3 ), and 2-butyne (CH 3 -C^C-CH 3 ) have been separated based on their different ionization energies, as seen in Fig. 9(b) [118,179]. In a similar fashion, separate contributions from 1-butene (CH 2 ]CH-CH 2 -CH 3 ), 2-butene (CH 3 -CH]CH-CH 3 ), and acrolein (CH 2 ]CH-CHO) to signal at m/z ¼ 56 have been measured [118,142,179].…”

Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

“…9(b) [118,179]. In a similar fashion, separate contributions from 1-butene (CH 2 ]CH-CH 2 -CH 3 ), 2-butene (CH 3 -CH]CH-CH 3 ), and acrolein (CH 2 ]CH-CHO) to signal at m/z ¼ 56 have been measured [118,142,179]. Interestingly, 1-butene, which is a potential product of the reaction of allyl with methyl radicals, was found to be present in stoichiometric and fuel-rich allene flames but not in flames fueled by its isomer propyne [142,179].…”

Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

“…As discussed above, the lower ionization energy of fulvene (8.36 eV) compared with benzene (9.24 eV) -see Figs. 9 and 10(b) -allows the independent determination of mole fraction profiles for both species [118,138,179,[183][184][185][186]. Law et al reported large amounts (w35%) of 1,5-hexadiyne (HC^C-CH 2 -CH 2 -C^CH) to be at m/z ¼ 78 (C 6 H 6 isomers) in a fuel-lean ethylene flat flame doped with allene [63].…”

Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

See 3 more Smart Citations

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Hansen

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et al. 2009

Progress in Energy and Combustion Science

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a b s t r a c tFlame-sampling molecular-beam mass spectrometry of premixed, laminar, low-pressure flat flames has been demonstrated to be an efficient tool to study combustion chemistry. In this technique, flame gases are sampled through a small opening in a quartz probe, and after formation of a molecular beam, all flame species are separated using mass spectrometry. The present review focuses on critical aspects of the experimental approach including probe sampling effects, different ionization processes, and mass separation procedures. The capability for isomer-resolved flame species measurements, achievable by employing tunable vacuum-ultraviolet radiation for single-photon ionization, has greatly benefited flame-sampling molecular-beam mass spectrometry. This review also offers an overview of recent combustion chemistry studies of flames fueled by hydrocarbons and oxygenates. The identity of a variety of intermediates in hydrocarbon flames, including resonantly stabilized radicals and closed-shell intermediates, is described, thus establishing a more detailed understanding of the fundamentals of molecular-weight growth processes. Finally, molecular-beam mass-spectrometric studies of reaction paths in flames of alcohols, ethers, and esters, which have been performed to support the development and validation of kinetic models for bio-derived alternative fuels, are reviewed.

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Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

Section: Isomer-resolved Measurements Of Various Combustion Intermedimentioning

confidence: 99%

See 2 more Smart Citations

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Hansen

Cool

Westmoreland

et al. 2009

Progress in Energy and Combustion Science

Self Cite

329

261

View full text Add to dashboard Cite

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“…J. Chem. Kinetics, 2008, 40, [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18]] that has been extensively tested against laminar flame speed measurements, jet-stirred reactor experiments, pyrolysis and oxidation experiments in flow reactors, species measurements for burner-stabilized flames and ignition delay measurements in shock tubes. The present comprehensive measurements of the composition of reaction intermediates over a broad range of equivalence ratios considerably extends the range of the previous experiments used for validation of this model and allows for an accurate determination of contributions of individual reactions to the formation or destruction of any given flame species.…”

Section: Studies Of Dimethyl Ether Flamesmentioning

confidence: 99%

Quantitative Study of the Effects of Chemical Additives in Propellant Flames

Cool¹

2008

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The public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the collection of information. This research addresses perceived needs of the U.S. Army in the development and use of biodiesel fuels and in the combustion chemistry of small cyclic nitramines. Studies are described of the chemistry of simple methyl and ethyl esters chosen as surrogates for the long chain mono-alkyl esters that are primary constituents of biodiesel fuels. The principal goal of these studies is the elucidation of the reaction mechanisms responsible for observed reductions in particulates, polycyclic aromatics, carbon monoxide, and unburned hydrocarbons when biodiesel is Quantitative Study of the Effects of Chemical Additives in Propellant FlamesReport Title ABSTRACTThis research addresses perceived needs of the U.S. Army in the development and use of biodiesel fuels and in the combustion chemistry of small cyclic nitramines. Studies are described of the chemistry of simple methyl and ethyl esters chosen as surrogates for the long chain mono-alkyl esters that are primary constituents of biodiesel fuels. The principal goal of these studies is the elucidation of the reaction mechanisms responsible for observed reductions in particulates, polycyclic aromatics, carbon monoxide, and unburned hydrocarbons when biodiesel is introduced as an additive to petroleum diesel. A recent research initiative is the study of the flame chemistry of morpholine, a simple cyclic nitramine, distantly related to the complex nitramine propellants HMX and RDX.(a) Papers published in peer-reviewed journals (N/A for none) List of papers submitted or published that acknowledge ARO support during this reporting period. List the papers, including journal references, in the following categories:

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Formation of Glyoxylic Acid in Interstellar Ices: A Key Entry Point for Prebiotic Chemistry

et al. 2019

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With nearly 200 molecules detected in interstellar and circumstellar environments,t he identification of the biologically relevant a-keto carboxylic acid, glyoxylic acid (HCOCOOH), is still elusive.H erein, the formation of glyoxylic acid via cosmic-ray driven, non-equilibrium chemistry in polar interstellar ices of carbon monoxide (CO) and water (H 2 O) at 5K via barrierless recombination of formyl (HCO) and hydroxycarbonyl radicals (HOCO) is reported. In temperature-programmed desorption experiments,the subliming neutral molecules were selectively photoionized and identified based on the ionization energy and distinct massto-charge ratios in combination with isotopically labeled experiments exploiting reflectron time-of-flight mass spectrometry.These studies unravel akey reaction path to glyoxylic acid, an organic molecule formed in interstellar ices before subliming in star-forming regions like SgrB2(N), thus providing ac ritical entry point to prebiotic organic synthesis.

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Photoionization mass spectrometric studies and modeling of fuel-rich allene and propyne flames

Cited by 66 publications

References 28 publications

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Quantitative Study of the Effects of Chemical Additives in Propellant Flames

Formation of Glyoxylic Acid in Interstellar Ices: A Key Entry Point for Prebiotic Chemistry

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