Development and testing of a comprehensive chemical mechanism for the oxidation of methane

Hughes, Kevin J.; Turányi, Tamás; Clague, A. R.; Pilling, Michael J.

doi:10.1002/kin.1048

Cited by 256 publications

(170 citation statements)

References 36 publications

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“…The ignition delay times obtained in this manner agreed with the calculated values presented in [14]. A comparison among the experimental and calculated (GRI-Mech 3.0 [17]) ignition delay times from this study and those of Petersen et al [18], Wang et al [19] and Hughes et al [20] is shown in Figure 3. The predicted values from these mechanisms agree well with the experimental values for pure methane.…”

Section: Results and Data Analysissupporting

confidence: 86%

“…The data fit this equation from 1007-2043 K, 0.54-48.1 MPa, and at equivalence ratios from 0.2-5.0 with a multiple coefficient of determination, r 2 , of 0.968. The Arrhenius-type expression Figure 3 Comparison among the experimental and calculated (GRIMech 3.0 [17]) ignition delay times from this study (solid lines) and those of Petersen et al [18] (dashed line), Wang et al [19] (dotted line), and Hughes et al [20] (dash/dotted line). (Equation (2)) indicates that there is a negative correlation between the ignition delay time of the methane and the pressure and the amount-of-substance fraction of oxygen.…”

Section: Results and Data Analysismentioning

confidence: 99%

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Experimental and kinetic study on ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures by shock tube

et al. 2011

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Ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures with hydrogen amount-of-substance fractions ranging from 0-20% were measured in a shock tube facility. The ambient temperature varied from 1422 to 1877 K and the pressure was maintained at 0.4 MPa behind the reflected shock wave. The experiments were conducted at an equivalence ratio of 2.0. The fuel mixtures were diluted with nitrogen gas so that the nitrogen amount-of-substance fraction was 95%. The experimental ignition delay time of the CH 4 /H 2 mixture decreased as the hydrogen amount-of-substance fraction increased. The enhancement of ignition by hydrogen addition was weak when the ambient temperature was >1750 K, and strong when the temperature was <1725 K. The ignition delay time of 20% H 2 /80% CH 4 was only one-third that of 100% CH 4 at 1500 K. A modified model based on GRI-Mech 3.0 was proposed and used to calculate the ignition delay times of test mixtures. The calculated results agreed with the experimental ignition delay times. Normalized sensitivity analysis showed that HO·+H 2 →H·+H 2 O was the main reaction for the formation of the H· at 1400 K. As the hydrogen amount-of-substance fraction increased, chain branching was enhanced through the reaction H·+O 2 →O·+HO·, and this reduced the ignition delay time. At 1800 K, the methyl radical (H 3 C·) became the key species that influenced the ignition of the CH 4 /H 2 /O 2 /N 2 mixtures, and sensitivity coefficients of the chain termination reaction 2H 3 C·(+M)→C 2 H 6 (+M), and chain propagation reaction HO 2 +H 3 C·→HO·+CH 3 O decreased, which reduced the influence of hydrogen addition on the ignition of the CH 4 /H 2 mixtures.shock tube, methane, hydrogen, chemical kinetics Citation:Zhang Y J, Huang Z H, Wei L J, et al. Experimental and kinetic study on ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures by shock tube.

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Section: Results and Data Analysissupporting

confidence: 86%

Section: Results and Data Analysismentioning

confidence: 99%

Experimental and kinetic study on ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures by shock tube

et al. 2011

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“…In our case dehydrogenation stops on C 2 H 2 which is further converted to soot precursors. This is, on the other hand, the pathway typical for methane combustion model [12]. One can notice that temperature characterizing the methane pyrolysis in our models is 1,500-2,000 K whereas temperature of plasma is 4,000-5,700 K [6].…”

Section: Discussionmentioning

confidence: 54%

“…A set of 48 chemical reactions used in the model is presented in Table 1. It is based on the so called ''Leeds methane oxidation mechanism'' [11,12]. In spite the fact that we observed soot formation in the experiment, we did not include the mechanism for its formation in the table.…”

Section: Introductionmentioning

confidence: 99%

Chemical Kinetics of Methane Pyrolysis in Microwave Plasma at Atmospheric Pressure

Dors

Nowakowska

Jasiński

et al. 2013

Plasma Chem Plasma Process

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Results of chemical kinetics modeling in methane subjected to the microwave plasma at atmospheric pressure are presented in this paper. The reaction mechanism is based on the methane oxidation model without reactions involving nitrogen and oxygen. For the numerical calculations 0D and 1D models were created. 0D model uses Calorimetric Bomb Reactor whereas 1D model is constructed either as Plug Flow Reactor or as a chain of Plug Flow Reactor and Calorimetric Bomb Reactor. Both models explain experimental results and show the most important reactions responsible for the methane conversion and production of H 2 , C 2 H 2 , C 2 H 4 and C 2 H 6 detected in the experiment. Main conclusion is that the chemical reactions in our experiment proceed by a thermal process and the products can be defined by considering thermodynamic equilibrium. Temperature characterizing the methane pyrolysis is 1,500-2,000 K, but plasma temperature is in the range of 4,000-5,700 K, which means that methane pyrolysis process is occurring outside the plasma region in the swirl gas flowing around the plasma.

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“…The detailed homogeneous reaction scheme is based on the Leeds methane oxidation mechanism (Hughes et al, 2001), complemented and corrected by Turányi et al (2002). The mechanism has been tested against experimental data.…”

Section: Chemical Kineticsmentioning

confidence: 99%

CFD Modeling of the Combustion Characteristics and Stability in Catalytic Micro-Channels

Junjie¹,

Xu²

2017

AJHMT

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Combustion characteristics and stability of premixed methane-air mixtures in catalytic micro-channels is studied numerically, using CFD (computational fluid dynamics). The characteristics of the fluid mechanics are also analyzed. A two-dimensional CFD model with detailed reaction mechanisms and multicomponent transport is developed to evaluate the effect of operating conditions on the combustion stability. The laminar flow is assumed, and steady-steady simulations are performed. The fuel-lean equivalence ratio operation limit for the system is determined by the analysis of Reynolds number. The primary focus is on CFD as a means of understanding thermal management at small scales. It is shown that an appropriate choice of the flow velocity is crucial in achieving the self-sustained operation. Large gradients in temperature and species concentration are observed, despite the small scales of the system under certain conditions. The flow velocity is very important as it determines the flame location. Furthermore, the flow velocity plays a dual, competing role in the stability of the system. Low flow velocities reduce the heat generation, whereas high flow velocities reduce the convective time-scale. There is a narrow regime of flow velocities that allows self-sustained operation. When a low-power system is desired, highly insulating materials should be preferred, whereas a high-power system would favor highly conductive materials. Engineering maps that delineate combustion stability are constructed. In order to gain further insight into the combustion characteristics of the system, the optimum Reynolds number is determined. Finally, design recommendations are made.

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Development and testing of a comprehensive chemical mechanism for the oxidation of methane

Cited by 256 publications

References 36 publications

Experimental and kinetic study on ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures by shock tube

Experimental and kinetic study on ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures by shock tube

Chemical Kinetics of Methane Pyrolysis in Microwave Plasma at Atmospheric Pressure

CFD Modeling of the Combustion Characteristics and Stability in Catalytic Micro-Channels

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