An updated reaction model for the high-temperature pyrolysis and oxidation of acetaldehyde

Mével, Rémy; Chatelain, Karl P.; Blanquart, Guillaume; Shepherd, Joseph E.

doi:10.1016/j.fuel.2017.12.060

Cited by 21 publications

(11 citation statements)

References 80 publications

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“…Although still flammable, partially oxidized compounds such as carbonyls, would likely produce less OH* as compared to alkanes. As previously observed in our laboratory, reflected shock heated acrolein-oxygen-argon mixtures [47] as well as acetaldehydeoxygen-argon mixtures[48] produced much less intense OH* emission signals than small hydrocarbon-nitrous oxide(-oxygen) mixtures under similar thermodynamic conditions and dilution levels[49].…”

supporting

confidence: 71%

Oxidation of n-hexane in the vicinity of the auto-ignition temperature

Mével

Rostand

Lemarié

et al. 2019

Fuel

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The present study examines the possibility of inerting flammable mixtures (making the mixtures non-explosive/non-flammable) using a long duration thermal process close to but below the auto-ignition temperature. Experiments were performed in a stainless steel cell and a Pyrex cell. A Mid-IR FTIR spectrometer, a UV-Vis spectrometer and several IR laser diodes were employed to monitor the gas-phase composition. Experiments were performed for n-hexane-air mixtures with Φ=0.67-1.35. The temperature and pressure were T=420-500 K and P=37-147 kPa. Experiments were performed over period of up to 7200 s. At temperatures close to 420 K, the chemical activity is characterized by a slow and constant reaction rate. At temperatures close to 500 K, the reaction proceeds in two-phases: 1) rapid production of CO 2 , CO and carbonyls, identified as hydroperoxy-ketones, followed by 2) a period of slower production of CO 2 and H 2 O and consumption of hydroperoxy-ketones. At the end of the thermal treatment, the possibility of igniting the mixtures using a large hot surface (representative of low-temperature ignition source) and a stationary concentrated hot surface (representative of high-temperature ignition source) was tested. The low-temperature flammability was verified by rapidly increasing the temperature of the test cell wall whereas the high-temperature flammability was verified by turning on a glow plug. The inerting strategy seems effective in

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confidence: 71%

Oxidation of n-hexane in the vicinity of the auto-ignition temperature

Mével

Rostand

Lemarié

et al. 2019

Fuel

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“…The high-temperature (1250-2335 K) ignition experiments were carried out using the Galcit 6-inch Shock Tube. A detailed description of the ST apparatus and diagnostics was previously given in [40,41,42]. The ignition event was studied behind reflected shock waves using OH*, CH*, and CO 2 * emission.…”

Section: Shock Tubementioning

confidence: 99%

Ignition characteristics of dual-fuel methane-n-hexane-oxygen-diluent mixtures in a rapid compression machine and a shock tube

Wang

Grégoire

et al. 2019

Fuel

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Ignition delay times of methane-n-hexane-oxygen mixtures were studied experimentally and numerically in a wide temperature range (640-2335 K) using both a rapid compression machine (RCM) and a shock tube (ST). The RCM results demonstrated a two-stage ignition and negative temperature coefficient (NTC) behavior. Increasing n-hexane concentration, pressure and equivalence ratio shortened the ignition delay time. For the ST experiments, the addition of 10% n-hexane (relative to methane) can reduce the ignition delay time dramatically. However, no further reduction effect can be achieved with increasing addition of n-hexane from 10% to 20%. In addition, increasing equivalence ratio reduces the effect of n-hexane addition on ignition delay time. Three detailed chemical mechanisms, CaltechMech, GalwayMech and LLNLMech, were evaluated based on a quantitative error analysis. LLNLMech and CaltechMech demonstrated the best performance in the RCM and ST temperature ranges, respectively. Chemical kinetic analyses showed that the addition of n-hexane to methane provides some chemical pathways not available for methane oxidation which result in the production of active radicals and eventually accelerate the ignition of the methane-oxygen mixtures. The crucial intermediate species for the ignition process are H 2 O 2 and H under RCM and ST conditions, respectively.

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“…Nevertheless, the multi-step heat release profiles observed in the ZND structure for mixtures D constitute interesting test cases for the present study. The reactions models of Mével et al [34], Joubert et al [12], Mével et al [35], and Bhagatwala et al [36] were employed for mixture A, B, C, and D, respectively. Beside the model for mixture C [35], these reaction models were previously employed in detonation studies [15,18,31,32,37,38,39].…”

Section: Modeling Conditionsmentioning

confidence: 99%

“…The reactions models of Mével et al [34], Joubert et al [12], Mével et al [35], and Bhagatwala et al [36] were employed for mixture A, B, C, and D, respectively. Beside the model for mixture C [35], these reaction models were previously employed in detonation studies [15,18,31,32,37,38,39].…”

Section: Modeling Conditionsmentioning

confidence: 99%

Effect of the reactor model on steady detonation modeling

Chatelain

Mével

et al. 2021

Shock Waves

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The effect of employing four different reactor models, Zeldovich-von Neumann-Döring (ZND), constant volume (CV), constant pressure (CP), and the Shock routine from Chemkin, to perform detonation relevant chemical modeling was assessed. The simulation results were compared in terms of characteristic length-scales and chemical analyses with four representative mixtures:The following conclusions were drawn: (i) CV and CP reactor models shorten the induction zone length and strengthen the energy release rate in most mixtures. In terms of chemical kinetics, the impact of CP and CV reactor models is quite limited for H 2 -O 2 -N 2 mixtures and H 2 -NO 2 /N 2 O 4 . However, the C2 branch is enhanced in CV and CP reactor models for C 3 H 8 -O 2 -N 2 mixture. Moreover, both reactor models weaken the intermediate-temperature chemistry and promote the high-temperature chemistry for DME-O 2 -CO 2 mixtures; (ii) the Shock module can be employed to perform detonation modeling, as it provided similar results to the ZND simulations for all investigated

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An updated reaction model for the high-temperature pyrolysis and oxidation of acetaldehyde

Cited by 21 publications

References 80 publications

Oxidation of n-hexane in the vicinity of the auto-ignition temperature

Oxidation of n-hexane in the vicinity of the auto-ignition temperature

Ignition characteristics of dual-fuel methane-n-hexane-oxygen-diluent mixtures in a rapid compression machine and a shock tube

Effect of the reactor model on steady detonation modeling

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