Nitric oxide interactions with hydrocarbon oxidation in a jet-stirred reactor at 10 atm

Moréac, Gladys; Dagaut, Philippe; Roesler, J. F.; Cathonnet, M.

doi:10.1016/j.combustflame.2006.01.002

Cited by 79 publications

(56 citation statements)

References 20 publications

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“…The chemistry of nitrogen containing compounds is out of the scope of this review and the kinetic models considering the effect of NOx on combustion [19][20][21][22] will not be considered here, despite their interest for the development of HCCI engines by using exhaust gas recirculation (EGR).…”

Section: Tablementioning

confidence: 99%

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

Battin‐Leclerc

2008

Progress in Energy and Combustion Science

572

379

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Section: Tablementioning

confidence: 99%

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

Battin‐Leclerc

2008

Progress in Energy and Combustion Science

572

379

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“…To this end, the use of chemical kinetic models has been invaluable, and in recent years there have been quite a few proposed mechanisms concerned with NO x chemistry, and with interactions of nitrogen oxides with hydrocarbons. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] However, as will be discussed, there can be significant disparity between published models in terms of the thermochemical properties of nitrogen-containing species therein.…”

Section: Introductionmentioning

confidence: 99%

Modeling Nitrogen Species as Pollutants: Thermochemical Influences

et al. 2016

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In order to simulate emissions of nitrogen-containing compounds in practical combustion environments, it is necessary to have accurate values for their thermochemical parameters, as well as accurate kinetic values to describe the rates of their formation and decomposition. Significant disparity is observed in the literature for the former, and we therefore present herein high-accuracy ab initio gas-phase thermochemistry for 60 nitrogenous compounds, many of which are important in the formation and consumption chemistry of NO x species. Several quantum-chemical composite methods (CBS-APNO, G3, and G4) were utilised in order to derive enthalpies of formation via the atomisation method. Entropies and heat capacities were calculated from traditional statistical thermodynamics, with oscillators treated as anharmonic based on ro-vibrational property analyses carried out at the B3LYP/cc-pVTZ level of theory. The use of quantum chemical methods, along with the treatments of anharmonicities and hindered rotors, ensures accurate enthalpy of formation, entropy, and heat capacity values across a temperature range of 298.15-3000 K. The implications of these results for atmospheric and combustion modelling are discussed. TOC graphic2

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“…It is known that the dilution by EGR impacts strongly on HCCI-engine control, but it is also supposed that the chemical composition of the EGR-gases governs HCCI combustion processes. While the impact of recycled NO x is known to be important for the kinetics of oxidation of UHC [5][6][7], the influence of other recycled species has not yet been comprehensively assessed [4]. A n-heptane/toluene mixture was used as a diesel surrogate with n-heptane having a cetane number close to diesel and toluene representing the aromatic fraction of a diesel fuel.…”

Section: Introductionmentioning

confidence: 99%

Influence of EGR compounds on the oxidation of an HCCI-diesel surrogate

Anderlohr

Piperel²,

Cruz³

et al. 2009

Proceedings of the Combustion Institute

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This paper presents an experimental and numerical study of the impact of various additives on the oxidation of a typical automotive surrogate fuel blend, i.e. n-heptane and toluene. It examines the impact of engine re-cycled exhaust gas compounds on the control of a Homogeneous Charge Compression Ignition (HCCI) engine. A series of experiments were performed in a highly diluted Jet-Stirred Reactor (JSR) at pressures of 1 and 10atm (1atm = 101325Pa). The chosen thermo-chemical conditions were close to those characteristic of the pre-ignition period in an HCCI-engine. The influence of various additives, namely nitric oxide (NO), ethylene (C 2 H 4 ) and methanol (CH 3 OH), on the oxidation of a n-heptane/toluene blend was studied over a wide range of temperatures (550-1100K), including the zone of the Negative Temperature Coefficient (NTC).A new detailed chemical kinetic reaction mechanism is proposed for the oxidation of the surrogate fuel. It includes reactions of NO, methanol (CH 3 OH) and ethylene (C 2 H 4 ) and is used to explain the obtained experimental data. The mechanism is further used to theoretically study the impact of other Exhaust Gas Recirculation (EGR) compounds on the hydrocarbon oxidation, namely ethane (C 2 H 6 ), formaldehyde (HCHO) and carbon monoxide (CO).

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Nitric oxide interactions with hydrocarbon oxidation in a jet-stirred reactor at 10 atm

Cited by 79 publications

References 20 publications

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

Modeling Nitrogen Species as Pollutants: Thermochemical Influences

Influence of EGR compounds on the oxidation of an HCCI-diesel surrogate

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