Experimental study and detailed kinetic modeling of the effect of exhaust gas on fuel combustion: mutual sensitization of the oxidation of nitric oxide and methane over extended temperature and pressure ranges

Dagaut, Philippe; Nicolle, André

doi:10.1016/j.combustflame.2004.11.003

Cited by 122 publications

(95 citation statements)

References 19 publications

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“…Under fuel-rich conditions, NO could be decreased by reburn reactions by reacting with hydrocarbon radicals produced during the oxidation of DME and C 2 H 2 [20,[33][34][35]. Under fuel-lean conditions, NO may favor the oxidation of the C 2 H 2 -DME mixture in a mutually sensitized oxidation process, similar to what has been observed for other compounds such as methane [36], ethanol and methanol [37].…”

Section: H 2 -Dme Mixtures Oxidation In the Presence Of Nomentioning

confidence: 54%

Influence of dimethyl ether addition on the oxidation of acetylene in the absence and presence of NO

Marrodán

Berdusán

Aranda

et al. 2016

Fuel

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The use of oxygenated compounds as additives to diesel fuels is considered nowadays as a promising alternative for minimizing soot emissions and maybe also NO x under appropriate conditions [1,2]. Classical oxygenated compounds include alcohols and ethers, and among them, ethanol (C 2 H 5 OH) and dimethyl ether (CH 3 OCH 3 , DME) are two of the most popular candidates to be used as additives. The use of ethanol has been extensively studied in the last years and it is already being used in reformulated gasolines, like E85 (85% ethanol and 15% gasoline) [3]. Similarly, DME has received considerable attention because of its high cetane number, vaporization characteristics, low toxicity, and low tendency to produce smoke and volatile organic compounds (VOCs) [4]. Additionally, DME can be produced from renewable materials [5,6].Ethanol and DME have the same molecular formula (C 2 H 6 O) but different structure and functional group, and, as it has been discussed in several previous works (e.g. [7,8]), the oxygen content and the specific structure of the oxygenated compound strongly influence the capacity for pollutant emission minimization. Song et al. [9] concluded that, under the conditions of their modeling study, both DME and ethanol were effective in reducing aromatic species (important soot precursors). However, DME exhibited a greater effectiveness due to its higher enthalpy of formation, which led to a higher final flame temperature and consequently to a decrease in aromatic species production in premixed flames [10], but also because of its structure. For fuel-rich conditions, the reaction flux analysis conducted by these authors [9] determined that reactions involving DME convert only approximately 15% of its carbon to C 2 -species (key species in the production of aromatic species), whereas reactions of ethanol convert approximately 35% of its carbon to C 2 -species. AbstractDimethyl ether (DME) is a promising diesel fuel additive for reducing soot and NO x emissions, because of its interesting properties and the possibility of a renewable production. An experimental and modeling study of the oxidation of acetylene (C 2 H 2 , considered as an important soot precursor) and DME mixtures has been performed under well-controlled flow reactor conditions. The influence of temperature, air excess ratio (λ) and presence of NO on the oxidation process has been analyzed. Under fuel-rich conditions, the presence of DME in these mixtures modifies the radical pool delaying the acetylene consumption. C 2 H 2 and DME, and the radicals generated in their conversion, interact with NO achieving different levels of NO concentration diminution depending upon the operating conditions. Under fuel-lean conditions, the presence of DME in the mixtures increases the NO diminution, whereas for the other values of λ considered, the maximum NO decrease reached is lower than that obtained in the case of pure acetylene.

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Section: H 2 -Dme Mixtures Oxidation In the Presence Of Nomentioning

confidence: 54%

Influence of dimethyl ether addition on the oxidation of acetylene in the absence and presence of NO

Marrodán

Berdusán

Aranda

et al. 2016

Fuel

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“…The model reproduces trends in NO, NO 2 concentrations obtained in [37], but has an underprediction and an overprediction by the factor of 2. Concentrations of CO, CO 2 , CH 4 and H 2 O [37] are well reproduced with the studied mechanism (see Fig.…”

Section: Environmental Impact Of Rocket Emissionsmentioning

confidence: 70%

“…In Figs. 11 and 12, the comparison of calculated NO, NO 2 , CO, CO 2 , CH 4 and H 2 O concentrations with the measured data [36,37] in a burner stabilised laminar premixed §ame and jet-stirred reactor (JSR) is shown. The obtained agreement is excellent for the NO concentration measured in the burner stabilised §ame [36] (see Fig.…”

Section: Environmental Impact Of Rocket Emissionsmentioning

confidence: 99%

“…At temperatures lower than about 1050 K, the inhomogeneous ignition of high-energy-density syngas-oxygen mixtures takes place: perturbations by the Figure 11 Comparison of modeled with current mechanisms (curves) temperature (1) and NO concentration pro¦les (2) with measured (signs) CH4/air laminar premixed §ame data [36], p = 1.0 atm and φ = 0.6 Figure 12 Comparison of modeled (curves) and measured in JSR (signs) concentration pro¦les for CH4/O2/NO/N2 mixture [37], p = 1.0 atm, φ = 0.5, and residence time 120 ms: (a) 1 ¡ CO and 2 ¡ CO2; (b) 1 ¡ CH4 and 2 ¡ H2O; and (c) 1 ¡ NO2 and 2 ¡ NO presence of contaminants in the reactants or on experimental surfaces, compressible §uid dynamic e¨ects, the inhomogeneous mixing, the catalysis from particles or surface materials in any combination can lead to reductions of the measured chemical induction time scales. Predictions of ignition delays with the homogeneous model that do not account for these perturbations can be signi¦cantly misleading.…”

Section: Environmental Impact Of Rocket Emissionsmentioning

confidence: 99%

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Kinetic mechanism for low-pressure oxygen/methane ignition and combustion

Slavinskaya

Wiegand

Starcke

et al. 2013

Progress in Propulsion Physics

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It is known that during a launch of a rocket, the interaction of the exhaust gases of rocket engines with the atmosphere causes a local depletion of the ozone layer. In order to study these chemical processes in detail, a chemical reaction mechanism of the methane oxidation appropriate for high-and low-pressure conditions and a chemical reactor network to reproduce operating conditions in rocket engines and in the environment have been developed. An earlier developed detailed chemical kinetic model for the high-pressure CH 4 /O 2 combustion has been improved for the low pressure and low temperature methane combustion and augmented with a submodel for NOx formation. The main model improvements are related to the pressure depending reactions. The model has been validated for operating conditions of 0.02 < p < 100 atm, 300 < T < 1800 K and 0.5 < φ < 3.0. The network of chemical reactors available in CHEMICAL WORKBENCH software has been successfully developed to simulate chemical processes in the convergent divergent rocket nozzle and in the exhaust-jet. Simulations performed have shown that the exhaust gases of a methane/oxygen propelled liquid rocket engine contain high amounts of active radicals, which can in §uence the formation of nitrogen compounds and consume ozone in the atmosphere.

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“…This allows to minimize the computational expense and, an adequate resolution of the fire plume can be achieved with a large spatial resolution which is related to the Heat Release Rate [14]. A comparison from the current study and the literature [10,11,13] is performed on the turbulent combustion and soot models through the temperature, velocity, carbon monoxide and smoke concentrations in the fire. This entirely tractable solution gives sufficiently accurate predictions in non-premixed turbulent flames for engineering calculations.…”

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confidence: 99%

A Tractable Solution for Engineering Calculations on Buoyancy Dominated Turbulent Non-Premixed Flames

Dong

Garo

Magnognou

et al. 2015

Fire Science and Technology

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The modelling of molecular species and smoke concentrations in turbulent buoyant intermediate free pool and enclosure fires is described. The numerical model solves the time-dependent reactive flow, Navier-Stokes equations, coupled with submodels for soot formation and thermal radiation transfer. A comparison is performed, and differences are discussed between the values of the temperature, velocity, carbon monoxide and smoke concentrations in the fire from the current study and the literature. The current modeling indicates that CO generation is relatively independent of position in the overfire region, and is correlated solely as a function of mixture fraction. No link between the soot concentration and the mixture fraction is found, which suggests that soot formation in the fires is fundamentally controlled by the transient phenomena.For a free pool-like fire, the computed peak temperature, velocity and CO concentration differ from the experimental values by less than 15%. The soot volume fraction differs significantly from the experimental data only in the fuel-lean, thermal plume region.

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Experimental study and detailed kinetic modeling of the effect of exhaust gas on fuel combustion: mutual sensitization of the oxidation of nitric oxide and methane over extended temperature and pressure ranges

Cited by 122 publications

References 19 publications

Influence of dimethyl ether addition on the oxidation of acetylene in the absence and presence of NO

Influence of dimethyl ether addition on the oxidation of acetylene in the absence and presence of NO

Kinetic mechanism for low-pressure oxygen/methane ignition and combustion

A Tractable Solution for Engineering Calculations on Buoyancy Dominated Turbulent Non-Premixed Flames

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