The flow reactor oxidation of C1−C4 alcohols and MTBE

Norton, T.S.; Dryer, Frederick L.

doi:10.1016/s0082-0784(06)80257-2

Cited by 125 publications

(69 citation statements)

References 21 publications

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“…These radicals are consumed primarily through the b-scission of a C-C bond. However, the oxidation mechanism of alcohols involves the production of oxygenated and non-oxygenated intermediates directly from the fuel by dehydration or dehydrogenation [31]. The experimental and modeling studies have indicated that methanol and ethanol oxidations are initiated mostly by reactions with the OH and H radicals [32,33].…”

Section: K3mentioning

confidence: 99%

“…The addition of methanol and ethanol into fuel blends acts as traps for H and OH, and therefore reduces the n-heptane oxidation. In the case of MTBE, the major oxidation pathway is a unimolecular decomposition, producing isobutene and methanol [14,31]. Isobutene is less reactive than hydrocarbons formed by the thermal decomposition of n-heptane and n-heptyl radicals.…”

Section: K3mentioning

confidence: 99%

See 1 more Smart Citation

Effects of oxygenate concentration on species mole fractions in premixed -heptane flames

İnal

Şenkan

2005

Fuel

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Atmospheric pressure, laminar, premixed, fuel-rich flames of n-heptane/oxygen/argon and n-heptane/oxygenate/oxygen/argon were studied at an equivalence ratio of 1.97 to determine the effects of oxygenate concentration on species mole fractions. The oxygen weight percents in n-heptane/oxygenate mixtures were 2.7 and 3.4. Three different fuel oxygenates (i.e. MTBE, methanol, and ethanol) were tested. A heated quartz micro-probe coupled to an on-line gas chromatography/mass spectrometry has been used to establish the identities and absolute concentrations of stable major, minor, and trace species by the direct analysis of samples, withdrawn from the flames. The oxygenate addition has increased the maximum flame temperatures and reduced the mole fractions of CO, low-molecular-weight hydrocarbons, aromatics, and polycyclic aromatic hydrocarbons. The reduction in mole fractions of aromatic and polycyclic aromatic hydrocarbon species by an increase in oxygenate concentration was more significant. q

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Section: K3mentioning

confidence: 99%

Section: K3mentioning

confidence: 99%

Effects of oxygenate concentration on species mole fractions in premixed -heptane flames

İnal

Şenkan

2005

Fuel

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“…Though the modeling of the combustion of different fuel components (hydrocarbons, alcohols, ethers, etc.) and the description of the corresponding mechanisms in reactors are described in the literature, [21][22][23][24][25][26][27] their validation in running engines has yet to be completed. This paper deals with the topic of qualitative and quantitative correlations between fuel formulation and individual hydrocarbon emissions obtained in a Cooperating Fuel Research (CFR) spark ignition engine.…”

Section: Introductionmentioning

confidence: 99%

The Influence of Gasoline Formulation on Specific Pollutant Emissions

Zervas

Montagne

Lahaye

1999

Journal of the Air & Waste Management Association

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Many recent works have dealt with the influence of fuel composition on regulated and specific pollutant emissions from spark ignition engines. While many qualitative correlations have been already proposed, only a few quantitative ones are known (benzene remains an exception).This paper describes qualitative and quantitative correlations between fuel composition and specific pollutant emissions (individual hydrocarbons, aldehydes, ketones, alcohols, and organic acids) of a spark ignition engine. The aim of this work was to find the precursors of the main specific pollutants. Then, for each of them, a multilinear equation has been calculated, illustrating the correlation between its concentration in exhaust gases and its content in the fuel. The results of these calculations point out which initial compound favors the formation of a determined pollutant. As lean conditions are probably going to be used in future commercial engines, the fuel effect has been studied for a broad range of equivalence ratios (from 0.8 to 1.2).Two fuel matrixes were designed. The first one was obtained by introducing eight pure hydrocarbons (nC 6 , nC 8 , isoC 8 , 1-hexene, cyclohexane, toluene, o-xylene, and IMPLICATIONSThe topic of this paper strongly interests both refiners and car manufacturers. Besides being of scientific interest, knowing precisely which compound induces which pollutant, could enable refiners to determine which gasoline formulations provide better control of pollutant emissions, especially toxic compounds and ozone precursors. Car manufacturers could use this information to optimize engine tunings and catalyst use to reduce those emissions. Further, these works are of scientific interest, helping to improve understanding of the possible impact of regulation changes on pollutant emissions, helping refiners to improve fuel formulations, and helping all parties concerned by helping to improve air quality. ethylbenzene) in an alkylate base. The second one was formulated to test the behavior of four oxygenated compounds (methanol, ethanol, isopropanol, and methyl tertio-butyl ether [MTBE]).Individual unburned hydrocarbons, aldehydes, alcohols, and organic acids were analyzed according to accurate methods developed in our laboratory.Results show that benzene exhaust is mainly emitted from benzene fuel, the substituted aromatics, and, to a lesser degree, from cyclohexane; 1,3-butadiene is produced from 1-hexene or cyclohexane; and isobutene is a product of isooctane and MTBE. Exhaust toluene comes mainly from toluene fuel, but also from o-xylene and ethylbenzene fuels. Isopropylbenzene exhaust seems to be produced only from ethylbenzene fuel. Exhaust concentrations of acetaldehyde and acetone showed a strong correlation with, respectively, ethanol and isopropanol fuel contents. Methacroleine exhaust concentration was strongly correlated with the fuel's isooctane content. Benzaldehyde was produced by the aromatic fuels. Methanol was found in the exhaust gases of all the oxygenated fuels. High quantities of hexane...

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“…Only R16 has temperature sensitivity coefficient higher than +0.1, which was reported as the major reaction for ethanol consumption by Norton and Dryer 18,20 and Benvenutti et al. 35 Furthermore, there are two chemiluminescence reactions (R287 and R305) that have significant contribution to the simulated temperature profiles with sensitivity coefficients next to +0.1.…”

Section: Resultsmentioning

confidence: 79%

“…[5][6][7] The increase of ethanol use, as the examples above, has stimulated several studies on ethanol oxidation through different techniques, wherein the main aims are the combustion evaluation and the pollutant formation. [8][9][10][11][12][13][14][15][16][17][18][19][20][21] From these works, detailed reaction mechanisms have been proposed for ethanol combustion.…”

Section: Introductionmentioning

confidence: 99%

Temperature measurements by oh lif and chemiluminescence kinetic modeling for ethanol flames

Marques¹,

Santos²,

Sbampato³

et al. 2009

Quím. Nova

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Rod. dos Tamoios, km 5,5, 12228-001 São José dos Campos -SP, BrasilRecebido em 21/10/08; aceito em 4/5/09; publicado na web em 1/10/09 TEMPERATURE MEASUREMENTS BY OH LIF AND CHEMILUMINESCENCE KINETIC MODELING FOR ETHANOL FLAMES. OH LIF-thermometry was applied to premixed ethanol flames at atmospheric pressure in a burner for three flame conditions. Flame temperatures were simulated from energy equation with PREMIX code of CHEMKIN software package for comparison. A kinetic modeling based on a model validated through chemiluminescence measurements and on a set of reactions for nitrogen chemistry was evaluated. Marinov's mechanism was also tested. Sensitivity analysis was performed for fuel-rich flame condition with F = 1.34. Simulated temperatures from both reaction mechanisms evaluated were higher than experimental values. However, the proposed kinetic modeling resulted in temperature profiles qualitatively very close to the experimental.

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The flow reactor oxidation of C1−C4 alcohols and MTBE

Cited by 125 publications

References 21 publications

Effects of oxygenate concentration on species mole fractions in premixed -heptane flames

Effects of oxygenate concentration on species mole fractions in premixed -heptane flames

The Influence of Gasoline Formulation on Specific Pollutant Emissions

Temperature measurements by oh lif and chemiluminescence kinetic modeling for ethanol flames

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