Shock tube study of normal heptane first-stage ignition near 3.5 atm

Campbell, Matthew F.; Wang, Shengkai; Davidson, David F.; Hanson, Ronald K.

doi:10.1016/j.combustflame.2018.08.008

Cited by 20 publications

(6 citation statements)

References 185 publications

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“…The prediction discrepancy of first stage ignition in the Mechanism-1(AramcoMech1.3) and Mechanism-3-(AramcoMech3.0) can also be found in the LLNL mechanism. 59 As discussed by Campbell et al, 60 no model can perfectly predict the experimental data. Mainly, in this work, at the conditions of stoichiometric mixtures, such as shown in Figures 2b and 3, the Mechanism-1-(AramcoMech1.3) and Mechanism-3(AramcoMech3.0) overpredict the experimental data at a temperature below 750 K. This may explain why there is some discrepancy in the prediction for temperatures below 750 K. The low-temperature reaction pathways will be discussed in detail later in this paper to analyze the difference between these mechanisms.…”

Section: Kinetic Model Validations and Comparisonmentioning

confidence: 98%

Influence of Different Core Mechanisms on Low-Temperature Combustion Characteristics of Large Hydrocarbon Fuels

Guo

Tang

et al. 2019

Energy Fuels

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The core mechanism is the cornerstone of combustion reaction kinetic models and has a crucial impact on the prediction accuracy of large hydrocarbon combustion mechanisms. At present, there remains no systematic method to compare the effect of different core mechanisms on the combustion mechanisms of large hydrocarbons. In this work, the effects of popular core mechanisms such as AramcoMech1.3, USC Mech II, AramcoMech3.0, and Foundational Fuel Chemistry Model (FFCM-1) on the combustion mechanisms of a large hydrocarbon were compared. Based on these core mechanisms, the lowtemperature combustion mechanisms of the large hydrocarbon (taking n-heptane as an example) have been developed. Meanwhile, the detailed numerical simulation and analysis of these mechanisms have been carried out. Concretely, using automatic generation software ReaxGen, coupled with AramcoMech1.3, USC Mech II, AramcoMech3.0, and FFCM-1, the detailed mechanisms named Mechanism-1(AramcoMech1.3), Mechanism-2(USC Mech II), Mechanism-3(AramcoMech3.0), and Mechanism-4(FFCM-1) for low-temperature combustion of n-heptane have been developed. Among them, the Mechanism-2(USC Mech II) can be referred to our previous work (http://www.cnki.com.cn/Article/CJFDTotal-GCRB201411041.htm). These mechanisms were validated by the ignition delay time and concentration profiles of important species. Numerically predicted results show that Mechanism-1(AramcoMech1.3) is in better agreement with available experimental data than those of other mechanisms. Finally, the sensitivity analysis of these mechanisms was carried out to find the key reactions to ignition sensitivity under low-temperature combustion conditions, and to better understand the models' predicted performance, the differences in reaction pathway analysis of n-heptane were discussed.

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Section: Kinetic Model Validations and Comparisonmentioning

confidence: 98%

Influence of Different Core Mechanisms on Low-Temperature Combustion Characteristics of Large Hydrocarbon Fuels

Guo

Tang

et al. 2019

Energy Fuels

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“…The ignition delay data cover a wide range of pressure (3–55 bar), temperature (590–1400 K), and fuel–air equivalence ratio (0.25–3.0) (Table 1). No data are available for pressures above 65 bar 26 . Other results used in model validation were all obtained at pressures well below those of engines; they include jet‐stirred reactor experiments 8,9 at pressures of 1–10 bar and laminar flame speed data, 27,28 obtained at atmospheric pressure.…”

Section: Introductionmentioning

confidence: 99%

“…No data are available for pressures above 65 bar. 26 Other results used in model validation were all obtained at pressures well below those of engines; they include jet-stirred reactor experiments 8,9 at pressures of 1-10 bar and laminar flame speed data, 27,28 obtained at atmospheric pressure.…”

Section: Introductionmentioning

confidence: 99%

n‐Heptane oxidation in a high‐pressure flow reactor

Thorsen

Jensen

Pullich

et al. 2022

Int J of Chemical Kinetics

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The oxidation properties of n-heptane have been investigated by conducting experiments in a laminar flow reactor at pressures of 21 and 100 bar, nearstoichiometric (𝛷 = 0.9) and fuel-lean conditions (𝛷 = 0.1), and temperatures of 450-900 K. At 21 bar and stoichiometric conditions, a negative temperature coefficient (NTC) region was detected around 600 K. At increased pressure or oxygen concentration, the NTC behavior was much less pronounced. The observed concentration profiles for the major species were compared to predictions with selected literature mechanisms. While all models provided a satisfactory agreement for the n-heptane profiles at 21 bar fuel lean conditions and at 100 bar, only the mechanisms from NUI and Polimi captured the NTC behavior at 21 bar and stoichiometric conditions. The model from Zhang et al. provided the best overall agreement and was selected for detailed comparison with species concentrations and used in analysis of reaction paths and reaction sensitivity under the present conditions.

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“…Oxidation of n -heptane is also widely investigated in the literature . Its ignition behavior has been characterized in rapid compression machines (RCM) − and shock tubes, ,− and data are available from flame speed experiments. , Species profiles have been reported from flow reactors − and jet-stirred reactors. − Thorsen and co-workers , have shown that the model by Zhang et al provides the best agreement with measured high-pressure ignition delay times and laminar flow reactor data for n -heptane oxidation.…”

Section: Introductionmentioning

confidence: 99%

Oxidation of Methane/n-Heptane Mixtures in a High-Pressure Flow Reactor

et al. 2023

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To evaluate the use of diesel as a pilot fuel in natural gas combustion in two-stroke maritime engines, research on high-pressure oxidation of methane/n-heptane mixtures is of interest. In this study, laminar flow reactor experiments were conducted at pressures of 21 and 100 bar, temperatures in the range 450–900 K, and under stoichiometric and fuel-lean conditions. For all conditions, the n-heptane conversion starts below 600 K. A pronounced negative temperature coefficient region was observed at 21 bar. The n-heptane was depleted at all conditions before reaching 900 K. Methane oxidation was initiated once n-heptane was consumed. Compared to the oxidation of pure n-heptane and NH3/n-heptane mixtures, the presence of methane promoted n-heptane oxidation in the full temperature range. The model from Zhang et al. provided overall a good agreement with the experimental data. However, the low-temperature conversion of n-heptane at 21 bar and stoichiometric conditions is underpredicted, possibly because some chemical coupling between n-heptane and methane is missing in the model.

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Shock tube study of normal heptane first-stage ignition near 3.5 atm

Cited by 20 publications

References 185 publications

Influence of Different Core Mechanisms on Low-Temperature Combustion Characteristics of Large Hydrocarbon Fuels

Influence of Different Core Mechanisms on Low-Temperature Combustion Characteristics of Large Hydrocarbon Fuels

n‐Heptane oxidation in a high‐pressure flow reactor

Oxidation of Methane/n-Heptane Mixtures in a High-Pressure Flow Reactor

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