Multi-species time-history measurements during high-temperature acetone and 2-butanone pyrolysis

Lam, King-Yiu; Ren, Wei; Pyun, Sung Hyun; Farooq, Aamir; Davidson, David F.; Hanson, Ronald K.

doi:10.1016/j.proci.2012.06.009

Cited by 38 publications

(42 citation statements)

References 22 publications

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“…In general, reasonable agreement is observed. For example, the results from Lam et al 12 are in excellent agreement with the current measurement. In fact, these two independent studies yield almost identical results at T > 1300 K, but there is slightly more scatter in the data of Lam et al 12 at lower T, possibly due to the limitations of a weaker diagnostic.…”

Section: Comparison With Previous Studiessupporting

confidence: 84%

“…Stanford Shock-Tube Facility. Detailed description of the Stanford shock-tube facilities has been documented in previous works, 12,15,16 and here only a brief summary is given. The facility used in this experiment was a 15.24 cm inner diameter high-purity shock tube with a driven section of 10 m and a driver section of 3.7 m, allowing for steady test time of 1.5 ms under typical test conditions.…”

Section: Experimental Methodsmentioning

confidence: 99%

“…11 Most recently, Lam and coworkers studied the pyrolysis of acetone with multispecies time-history measurement (acetone, CO, CH 3 , CH 4 , and C 2 H 4 ) by laser absorption spectroscopy at temperatures between 1150 and 1600 K and pressures between 0.5 and 5.0 atm. 12 However, despite the amount of experimental data available, there is very little overlap between their experimental conditions. Although theoretical calculations such as the RRKM fittings by Saxena et al 10 and by Pichon et al 11 help to reconcile this issue, direct experimental measurement, especially reaction rate constant measurement, over a large range that unifies these previous studies is still strongly desired, and this has motivated the current study.…”

Section: Introductionmentioning

confidence: 99%

“…To address this issue, Szwarc and Taylor used toluene as a radical suppressor; 7 but at the relatively high temperatures (T > 1000 K) where the measurements were carried out there was considerable amount of toluene decomposition, which complicated the measurement. In the recent study of Lam et al, 12 efforts have been made to minimize these effects by reducing the acetone loading. However, the minimum acetone loading has been constrained by the sensitivity of the detection scheme, and the requirement for a decent SNR limited the minimum acetone concentration to 0.25% in the work of Lam et al 12 The current study aims to completely resolve the interference from secondary reactions by using extremely dilute acetone mixture.…”

Section: Introductionmentioning

confidence: 99%

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Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO

et al. 2015

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A direct measurement for the rate constant of the acetone dissociation reaction (CH3COCH3 = CH3CO + CH3) was conducted behind reflected shock wave, utilizing a sub-ppm sensitivity CO diagnostic achieved by cavity-enhanced absorption spectroscopy (CEAS). The current experiment eliminated the influence from secondary reactions and temperature change by investigating the clean pyrolysis of <20 ppm acetone in argon. For the first time, the acetone dissociation rate constant (k1) was directly measured over 5.5 orders of magnitude with a high degree of accuracy: k1 (1004-1494 K, 1.6 atm) = 4.39 × 10(55) T(-11.394) exp(-52 140K/T) ± 24% s(-1). This result was seen to agree with most previous studies and has bridged the gap between their temperature and pressure conditions. The current work also served as an example demonstration of the potential of using the CEAS technique in shock-tube kinetics studies.

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Section: Comparison With Previous Studiessupporting

confidence: 84%

Section: Experimental Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO

et al. 2015

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“…A peak‐minus‐valley laser absorption scheme was implemented near the P (8) line of methane's v 3 band (λ peak = 3403.4 nm and λ valley = 3403.7 nm). The same wavelength pair was first suggested by Pyun et al for interference‐free detection of methane during n ‐heptane pyrolysis and later utilized by present authors in CH 4 /O 2 /Ar/CO 2 ignition studies . The ratio of the transmitted and reference light intensities ( I tr / I ref ) was measured to obtain CH 4 mole fraction from the Beer–Lambert law:

\begin{matrix} true \\ right α = - prefixln {(\frac{I_{tr}}{I_{ref}})}_{ν} = σ (ν, T, P) \frac{P_{tot}}{R T} χ L \end{matrix}

…”

Section: Experimental Setup and Proceduresmentioning

confidence: 84%

Measurements of Propanal Ignition Delay Times and Species Time Histories Using Shock Tube and Laser Absorption

Köroğlu

Vasu

2016

Int J of Chemical Kinetics

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Propanal is an aldehyde intermediate formed during the hydrocarbon combustion process. Potentially, the use of oxygenated biofuels reduces greenhouse gas emissions; however, it also results in increased toxic aldehyde by‐products, mainly formaldehyde, acetaldehyde, acrolein, and propanal. These aldehydes are carcinogenic, and therefore it is important to understand their formation and destruction pathways in combustion systems. In this work, ignition delay times were measured behind reflected shock waves for stoichiometric (Φ = 1) mixtures of propanal (CH3CH2CHO) and oxygen (O2) in argon bath gas at temperatures of 1129 K < T < 1696 K and pressures around 1 and 6 atm. Measurements were conducted using the kinetics shock tube facility at the University of Central Florida. Current results were compared to available data in the literature as well as to the predictions of three propanal combustion kinetic models: Politecnico di Milano (POLIMI), National University of Ireland at Galway, and McGill mechanisms. In addition, a continuous wave‐distributed feedback interband cascade laser centered at 3403.4 nm was used for measuring methane (CH4) and propanal time histories behind the reflected shock waves during propanal pyrolysis. Concentration time histories were obtained at temperatures between 1192 and 1388 K near 1 atm. Sensitivity analysis was carried for both ignition delay time and pyrolysis measurements to reveal the important reactions that were crucial to predicting the current experimental results. Adjustments to the POLIMI mechanism were adopted to better match the experimental data. Further research was suggested for the H abstraction reaction rates of propanal. In addition to extending the temperature and pressure region of literature ignition delay times, we provide the first high‐temperature species concentration time histories during propanal pyrolysis.

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Thermochemistry and kinetics of the 2‐butanone‐4‐yl CH₃C(=O)CH₂CH₂• + O₂ reaction system

Sebbar

Bozzelli

Trimis

et al. 2019

Int J of Chemical Kinetics

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Thermochemistry and kinetic pathways on the 2-butanone-4-yl (CH 3 C(=O) CH 2 CH 2 •) + O 2 reaction system are determined. Standard enthalpies, entropies, and heat capacities are evaluated using the G3MP2B3, G3, G3MP3, CBS-QB3 ab initio methods, and the B3LYP/6-311g(d,p) density functional calculation method. The CH 3 C(=O)CH 2 CH 2 • radical + O 2 association reaction forms a chemically activated peroxy radical with 35 kcal mol −1 excess of energy. The chemically activated adduct can undergo RO−O bond dissociation, rearrangement via intramolecular hydrogen transfer reactions to form hydroperoxide-alkyl radicals, or eliminate HO 2 and OH. The hydroperoxide-alkyl radical intermediates can undergo further reactions forming ketones, cyclic ethers, OH radicals, ketene, formaldehyde, or oxiranes. A relatively new path showing a low barrier and resulting in reactive product sets involves peroxy radical attack on a carbonyl carbon atom in a cyclic transition state structure. It is shown to be important in ketones when the cyclic transition state has five or more central atoms. K E Y W O R D S ab initio, butanone oxidation, reaction pathways, thermochemistry Int J Chem Kinet. 2019;51:541-562.

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Multi-species time-history measurements during high-temperature acetone and 2-butanone pyrolysis

Cited by 38 publications

References 22 publications

Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO

Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO

Measurements of Propanal Ignition Delay Times and Species Time Histories Using Shock Tube and Laser Absorption

Thermochemistry and kinetics of the 2‐butanone‐4‐yl CH₃C(=O)CH₂CH₂• + O₂ reaction system

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Multi-species time-history measurements during high-temperature acetone and 2-butanone pyrolysis

Cited by 38 publications

References 22 publications

Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO

Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO

Measurements of Propanal Ignition Delay Times and Species Time Histories Using Shock Tube and Laser Absorption

Thermochemistry and kinetics of the 2‐butanone‐4‐yl CH3C(=O)CH2CH2• + O2 reaction system

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Thermochemistry and kinetics of the 2‐butanone‐4‐yl CH₃C(=O)CH₂CH₂• + O₂ reaction system