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

Piperel, A.; Dagaut, Philippe; Montagne, X.

doi:10.1016/j.proci.2008.08.004

Cited by 16 publications

(9 citation statements)

References 21 publications

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“…The model was first used to simulate literature data: the results of Piperel et al [19] obtained also using a jet-stirred reactor, but at higher pressures than that in the present study, as well as the results of Fridlyand et al [20] measured in a shock tube. The reactant mole fraction profile indicated that the reactivity with the current model would not be high enough: it is similar to simulation results with the model of methyl 9-decenoate by Herbinet et al [42] which included a high temperature 1-octene model.…”

Section: Simulations Of Previous Literature Datamentioning

confidence: 82%

“…The ignition of four linear octene isomers, including 1-octene, was investigated by Hellier et al [18] on a diesel engine supplied with a range of single-molecule fuels. Piperel et al [19] investigated the impact of acetaldehyde and NO addition on the 1-octene oxidation under simulated HCCI conditions in a jet-stirred reactor at 10 atm, temperatures from 560 to 1160 K, and equivalence ratio of 0.75. In the shock tube study at high pressures (P = 3.8-6.2 MPa) and temperatures (T = 850-1500 K) of the oxidation of methyl trans-2-nonenoate and methyl trans-3-nonenoate by Fridlyand et al [20], 1-octene (and trans-2-octene) was (were) taken as the reference fuel for comparison.…”

Section: Introductionmentioning

confidence: 99%

“…In the case of the studies of 1-octene oxidation by Piperel et al [19] and Fridlyand et al [20], only a few products, i.e. water, carbon oxides, formaldehyde, and C1-C4 hydrocarbons, were quantified.…”

Section: Introductionmentioning

confidence: 99%

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Experimental and modeling study of 1-octene jet-stirred reactor oxidation

Meng

Herbinet

Wang

et al. 2017

Fuel

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Highlights• Experimental study of the oxidation of 1-octene in a jet-stirred reactor (500-1100 K).• Detailed speciation of obtained products.• A new detailed kinetic model developed for 1-octene oxidation.• Computed kinetic analyses highlighting the specific pathways for large alkene oxidation. AbstractThe oxidation of 1-octene has been studied in a jet-stirred reactor for temperatures from 500 to 1100 K, at atmospheric pressure, with dilute mixtures of equivalence ratios of 0.25, 0.5, 1.0, and 2.0 in helium. The initial fuel mole fraction was set as 0.005. Product formation has been investigated using gas chromatography. In addition to usual C0-C4 oxidation products, the produced mole fractions of 1,4-pentadiene, cyclohexene, ethylcyclohexene, C5-C8 aldehydes, 2-octanone, octenal, hexyl-oxirane, and 2-propyl,5-hydroxytetrahydrofuran have been quantified. Following the same kinetic rules as in a model recently developed for 1-hexene, a new model has been written for 1-octene oxidation. This new model allows an acceptable prediction of most of the newly obtained experimental results, as well as of previous literature ones. The most important deviations were encountered for aldehydes, ketones and cyclic alkenes indicating missing reaction pathways for these compounds.

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Section: Simulations Of Previous Literature Datamentioning

confidence: 82%

Section: Introductionmentioning

confidence: 99%

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Experimental and modeling study of 1-octene jet-stirred reactor oxidation

Meng

Herbinet

Wang

et al. 2017

Fuel

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“…There is much less studies on ethers and particularly on cyclic ethers which can be derived from ligno-cellulosic biomass. Note that almost no jet-stirred experimental data study about the oxidation of aldehydes and ketones was reported while these species are important intermediates formed in the combustion of hydrocarbons and oxygenated species (Piperel et al 2009). Dagaut et al 2007 As shown in Table 1.1 there is a lack of JSR data for some types of molecules.…”

Section: Experimental Studies Of Oxygenated Fuelsmentioning

confidence: 99%

Cleaner Combustion

Herbinet¹,

Guillaume²

2013

Green Energy and Technology

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The jet-stirred reactor is a type of ideal continuously stirred-tank reactor which is well suited for gas phase kinetic studies. It is mainly used to study the oxidation and the pyrolysis of hydrocarbon and oxygenated fuels. These studies consist in recording the evolution of the conversion of the reactants and of the mole fractions of reaction products as a function of different parameters such as reaction temperature, residence time, pressure and composition of the inlet gas. Gas chromatography is classically used for the analysis of the species in the gas phase, but recent studies aimed at coupling new types of analytical devices to a jet-stirred reactor to observe new types of species and to gain accuracy in the identification and the quantification of species. 8.1 Overview of the Jet-Stirred Reactor Gas phase kinetic studies are mostly performed using closed vessels, burners and continuous stirred-tank reactors. Among continuous stirred-tank reactors is the jet-stirred reactor. One of its major advantages relies on the efficient mixing of the gas phase which provides identical and homogeneous compositions of the outlet gas and of the gas inside the reactor. When operated at steady state and at constant residence time, temperature and pressure, this type of reactor is easily modelled by a very simple system of mass balances. Another advantage of this reactor is the possibility of being coupled with analytical techniques such as gas chromatography and mass spectrometry for the identification and the quantification of the species in the gas phase. One of the best ways to achieve the mixing of the gas phase is to use turbulent jets obtained from nozzles. Despite the strong pressure drop in the nozzles, this technique provides very intense internal recycle streams. The material used for the manufacturing of the reactor is of great importance. The use of metal is not recommended because of possible large wall effects and the use of Pyrex glass or fused silica is preferred. The jet-stirred reactor has often been used to study the gas phase oxidation and the thermal decomposition of fuels. These studies consist in measuring the evolution of the mole fractions of species at the outlet of the reactor as a function of different parameters such as reaction temperature, residence time, pressure and composition of the inlet gas (the fuel concentration and the equivalence ratio in combustion experiments). The reactivity of the fuel and the selectivity of the reaction products can be deduced from these data. The residence time of the gas in the reactor (Eq. 8.1) is actually a mean residence time (or space time) which is defined as the ratio of the volume of the reactor, , and of the volume flow rate of the gas flowing through the reactor, , which is also the volume flow rate at the outlet of the reactor, (Fig. 8.1). To verify that the reactor can be considered as a continuous stirred-tank reactor, one can measure the residence time distribution by doing a short injection of a very small amount of tracer at the inlet and by ...

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“…Recently, NO has been proved a significant influence on hydrocarbon oxidation [10][11][12][13][14][15][16] . Moréac et al 10 investigated the effects of NO on the oxidation of n-heptane (NC7H16), iso-octane (IC8H18), toluene, and methanol in a jet-stirred reactor.…”

Section: Introductionmentioning

confidence: 99%

Generation and Analysis for a Skeletal Chemical Kinetic Model of IC<sub>8</sub>H<sub>18</sub> with Nitric Oxide in HCCI Combustion

Zheng¹,

Lü²

2016

Acta Physico-Chimica Sinica

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A new mechanism for IC8H18 with nitric oxide (IC8H18-NO) in homogeneous charge compression ignition (HCCI) combustion is presented to investigate the effects of NO in exhaust gas recirculation (EGR) on combustion. The IC8H18 sub-mechanism consists of 112 species and 467 reactions. A NO sub-mechanism is developed through reaction path analysis. The reaction paths of NO are summarized on the basis of the detailed NO mechanism reported by Anderlohr to describe the effects of NO on IC8H18. A new IC8H18-NO mechanism with 167 species and 835 reactions is described. The IC8H18 sub-mechanism of IC8H18-NO mechanism was validated by the ignition delay times in a shock tube. Experimental and computational results are in good agreement with those of ignition delay times at 855 to 1269 K and at 2 and 6 MPa with equivalence ratios of 0.5 and 1.0. The new IC8H18-NO mechanism is also validated in an HCCI engine. Computational results are consistent with experimental data of ignition delay times at a NO concentration range of 0 to 500 × 10 -6 (volume fraction). The effects of NO on IC8H18 differ as the NO concentration increases. Therefore, the effects of NO on IC8H18 are simulated using a zero-dimensional model using the CHEMKIN PRO software. Key reactions at different NO concentrations are proposed by analyzing the sensitivity and productivity rates. The resource of OH for initial IC8H18 consumption is mainly generated through R476, which occurs as a result of the promoting effect of NO

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

Cited by 16 publications

References 21 publications

Experimental and modeling study of 1-octene jet-stirred reactor oxidation

Experimental and modeling study of 1-octene jet-stirred reactor oxidation

Cleaner Combustion

Generation and Analysis for a Skeletal Chemical Kinetic Model of IC<sub>8</sub>H<sub>18</sub> with Nitric Oxide in HCCI Combustion

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