Skeleton kinetic model of acetaldehyde oxidation from comprehensive models

Liang, Chi-Jung; Mou, Chung‐Yuan; Lee, D.J.

doi:10.1016/j.ces.2004.11.038

Cited by 3 publications

(3 citation statements)

References 28 publications

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“…Furthermore, this corresponds to a higher production of combustion intermediates and products (Figs. 10 and 11), this could be caused by an increasing OH production resulting from CH 3 CHO oxidation via the reaction scheme [25].…”

Section: Impact Of An Aldehyde On 1-octene Oxidationmentioning

confidence: 99%

Impact of acetaldehyde and NO addition on the 1-octene oxidation under simulated HCCI conditions

Piperel¹,

Dagaut²,

Montagne³

2009

Proceedings of the Combustion Institute

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Section: Impact Of An Aldehyde On 1-octene Oxidationmentioning

confidence: 99%

Impact of acetaldehyde and NO addition on the 1-octene oxidation under simulated HCCI conditions

Piperel¹,

Dagaut²,

Montagne³

2009

Proceedings of the Combustion Institute

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“…Reaction provides a useful means to study the mechanism of this type of reaction due to the high sensitivity of OH using laser-induced fluorescence (LIF) CH 3 CO + O 2 + M → CH 3 C ( O ) O 2 + M CH 3 CO + O 2 → OH + coproduct Acetyl dissociates at temperatures above ∼500 K (reaction ), and the competition between reactions and is important during the ignition of many hydrocarbon fuels. − CH 3 CO + M → CH 3 + CO + M Acetylperoxy radicals react with NO 2 in the troposphere to form peroxyacetylnitrate (PAN), which acts as a medium for transporting NO x and is an air pollutant with physiological effects.…”

Section: Introductionmentioning

confidence: 99%

“…Acetyl dissociates at temperatures above ∼500 K (reaction R3), and the competition between reactions R1 and R3 is important during the ignition of many hydrocarbon fuels. [7][8][9][10][11][12]…”

Section: Introductionmentioning

confidence: 99%

Experimental and Modeling Studies of the Pressure and Temperature Dependences of the Kinetics and the OH Yields in the Acetyl + O₂ Reaction

et al. 2011

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The acetyl + O(2) reaction has been studied by observing the time dependence of OH by laser-induced fluorescence (LIF) and by electronic structure/master equation analysis. The experimental OH time profiles were analyzed to obtain the kinetics of the acetyl + O(2) reaction and the relative OH yields over the temperature range of 213-500 K in helium at pressures in the range of 5-600 Torr. More limited measurements were made in N(2) and for CD(3)CO + O(2). The relative OH yields were converted into absolute yields by assuming that the OH yield at zero pressure is unity. Electronic structure calculations of the stationary points of the potential energy surface were used with a master equation analysis to fit the experimental data in He using the high-pressure limiting rate coefficient for the reaction, k(∞)(T), and the energy transfer parameter, (ΔE(d)), as variable parameters. The best-fit parameters obtained are k(∞) = 6.2 × 10(-12) cm(-3) molecule(-1) s(-1), independent of temperature over the experimental range, and (ΔE(d))(He) = 160(T/298 K) cm(-1). The fits in N(2), using the same k(∞)(T), gave (ΔE(d))(N(2)) = 270(T/298 K) cm(-1). The rate coefficients for formation of OH and CH(3)C(O)O(2) are provided in parametrized form, based on modified Troe expressions, from the best-fit master equation calculations, over the pressure and temperature ranges of 1 ≤ p/Torr ≤ 1.5 × 10(5) and 200 ≤ T/K ≤ 1000 for He and N(2) as the bath gas. The minor channels, leading to HO(2) + CH(2)CO and CH(2)C(O)OOH, generally have yields <1% over this range.

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Kinetic Study of Acetaldehyde Degradation Applying Visible Light Photocatalysis

et al. 2015

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A commercially available TiO 2 type (Kronos vlp 7000), doped with carbon and having an extended spectrum of light absorption wavelength, is investigated for photocatalytic degradation of a representative air pollutant, namely acetaldehyde, under visible light. The modeling of the studied system was carried out including the proposal of kinetic expressions for the contaminant degradation and generation of main intermediates based on the reaction mechanism, the mass balances in the reactor, and the lamps' superficial emission model to evaluate the radiation distribution in the reaction space. The predicted and experimental outlet concentrations of acetaldehyde and formaldehyde as main intermediate were found to be in good agreement obtaining a root mean square error equal to 13 %.

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Skeleton kinetic model of acetaldehyde oxidation from comprehensive models

Cited by 3 publications

References 28 publications

Impact of acetaldehyde and NO addition on the 1-octene oxidation under simulated HCCI conditions

Impact of acetaldehyde and NO addition on the 1-octene oxidation under simulated HCCI conditions

Experimental and Modeling Studies of the Pressure and Temperature Dependences of the Kinetics and the OH Yields in the Acetyl + O₂ Reaction

Kinetic Study of Acetaldehyde Degradation Applying Visible Light Photocatalysis

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Skeleton kinetic model of acetaldehyde oxidation from comprehensive models

Cited by 3 publications

References 28 publications

Impact of acetaldehyde and NO addition on the 1-octene oxidation under simulated HCCI conditions

Impact of acetaldehyde and NO addition on the 1-octene oxidation under simulated HCCI conditions

Experimental and Modeling Studies of the Pressure and Temperature Dependences of the Kinetics and the OH Yields in the Acetyl + O2 Reaction

Kinetic Study of Acetaldehyde Degradation Applying Visible Light Photocatalysis

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Experimental and Modeling Studies of the Pressure and Temperature Dependences of the Kinetics and the OH Yields in the Acetyl + O₂ Reaction