Experimental study and kinetics modeling of partial oxidation reactions in heavily sooting laminar premixed methane flames

Li, Qingxun; Wang, Tiefeng; Liu, Yefei; Wang, Dezheng

doi:10.1016/j.cej.2012.06.093

Cited by 26 publications

(12 citation statements)

References 21 publications

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“…Even these new mechanisms, however, overestimate C 2 H 2 mole fraction. The overestimation of C 2 H 2 is also reported in flame (Li et al 2012;Xu and Faeth 2000), plug-flow reactor (Köhler et al 2016) and shock tube (Herzler et al 2019) studies for methane fuel. Most of the computational results with the additional (non-PAH) mechanisms show smaller values than those of the PAH mechanisms.…”

Section: Overestimation Of C 2 H 2 Mole Fractionmentioning

confidence: 54%

“…As shown in Figure 1, measurements of soot, aromatic species and smaller species from fuel-rich methane combustion were conducted by employing several methods, e.g. premixed flat-flame burners (Ahmed et al 2016;Alfè et al 2010;Castaldi, Vincitore, Senkan 1995;Li et al 2012;Marinov et al 1996;Melton, Vincitore, Senkan 1998;Xu and Faeth 2000), jet-stirred reactor (Cong and Dagaut 2008) and plug-flow reactors (Köhler et al 2016;Skjøth-Rasmussen et al 2004) near atmospheric pressure.…”

Section: Introductionmentioning

confidence: 99%

“…As rate of formation of first aromatic ring is Figure 1. Experimental conditions of soot and species measurements for fuel-rich CH 4 combustion near atmospheric pressure operated by various methods: burner stabilized flames (Ahmed et al 2016;Alfè et al 2010;Castaldi, Vincitore, Senkan 1995;Li et al 2012;Marinov et al 1996;Melton, Vincitore, Senkan 1998;Xu and Faeth 2000); jet-stirred reactor (Le Cong and Dagaut 2008); plug-flow reactors (Köhler et al 2016;Skjøth-Rasmussen et al 2004); and a micro flow reactor with a controlled temperature profile (this study). a primary factor to control soot formation (Glassman 1988), investigation of gas-phase species at both of high equivalence ratio and high fuel-to-mixture ratio conditions is necessary for further understanding of products from fuel-rich methane combustion.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Study on Products from Fuel-rich Methane Combustion near Sooting Limit Temperature Region and Importance of Methyl Radicals for the Formation of First Aromatic Rings

Kanayama

Dubey

Tezuka

et al. 2020

Combustion Science and Technology

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Productions of mono-/di-cyclic aromatic hydrocarbons as well as smaller stable species from extremely fuel-rich CH 4 /air mixtures (equivalence ratio of 1.7-6.0 and fuel-to-mixture ratio of 15-38 mol.%) near sooting limit in terms of temperature, were investigated using a micro flow reactor with a controlled temperature profile at maximum wall temperature of 1300 K. Species measurements of O 2 , H 2 , CO, CO 2 , CH 4 , C 2 H 2 , C 2 H 4 , C 2 H 6 , benzene, toluene, styrene and naphthalene were performed with GC and GC/MS analysis. One-dimensional computations were also conducted with several detailed chemical kinetics. Most of the mechanisms comparably well predicted the smaller species except C 2 H 2 (acetylene), which was overestimated by all the mechanism especially at moderate equivalence ratio (Ø � 3.0). There were large discrepancies between measured and computed mole fractions of benzene and naphthalene at high equivalence ratio (Ø � 4.0). Reaction path analysis indicated that reaction pathway branched from C 2 H 3 reacting with methyl radical, which competes with C 2 H 2 production, showed relatively low contribution to benzene formation at moderate equivalence ratio. Therefore, improvements of chemical kinetics with further consideration of reactions with methyl radical are necessary for precise prediction of products where abundant amounts of methyl radical exist.

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Section: Overestimation Of C 2 H 2 Mole Fractionmentioning

confidence: 54%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Study on Products from Fuel-rich Methane Combustion near Sooting Limit Temperature Region and Importance of Methyl Radicals for the Formation of First Aromatic Rings

Kanayama

Dubey

Tezuka

et al. 2020

Combustion Science and Technology

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show abstract

“…In the case of such methane/oxygen flames (premixed, fuelrich in the equivalence ratio range of 2.5 < φ < 3.0 and without any dilution of the oxidizer) experimental data are scarce. Li et al [2] measured temperatures and species concentrations in methane/oxygen flames in the equivalence ratio range of 3.08 < φ < 3.64 using invasive measurement techniques (thermocouple and mass spectrometer) and showed temperature and water concentration profiles.…”

Section: Introductionmentioning

confidence: 99%

Determination of temperature and water-concentration in fuel-rich oxy-fuel methane flames applying TDLAS

Sentko

Schulz

Stelzner

et al. 2020

Combustion and Flame

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“…One-step partial oxidation of methane has been extensively investigated, both experimentally and numerically in batch reactors, ,, flow reactors, ,− and premixed flames. − However, limited studies are present in the literature for the two-step process. High temperature pyrolysis of hydrocarbons was investigated by Ktalkherman et al, − where hydrogen and air were combusted in the first reaction zone, followed by addition of propane, LPG, or naphtha or their mixtures in the second reaction zone, to produce ethylene.…”

Section: Introductionmentioning

confidence: 99%

Modeling Study of High Temperature Pyrolysis of Natural Gas

Gudiyella

Buras

Chu

et al. 2018

Ind. Eng. Chem. Res.

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High temperature pyrolysis (HTP) is a commercial process to convert methane to acetylene. The HTP process consists of two reaction zones, followed by a quenching zone. In this work, a pilot scale HTP process was modeled to assess the effect of the amount of fuel burned and the cracking gas composition on acetylene and polycyclic aromatic hydrocarbon (PAH) production. The HTP process is simulated using a chemical reactor network, which consists of a series of ideal reactors. The composition of cracking gas in the second reaction zone varied from methane to hexane. The propensity of the feed to form acetylene vs PAH at a given process condition was determined using a detailed chemical kinetic mechanism. The chemical kinetic mechanism was developed using an automated mechanism generation software package, the Reaction Mechanism Generator (RMG). Compared to existing pyrolysis mechanisms that can only be used to model the cracking of a finite number of species, RMG can be used to model the cracking of any arbitrary species consisting of carbon, hydrogen, and oxygen. The modeling results showed that the C2 yield is largely independent of either overall φ or cracking gas carbon number. In contrast, the lumped aromatic yield appears to have a positive correlation with both overall φ and cracking gas carbon number. Sensitivity and rate of production analyses were performed to identify the important pathways that lead to the formation of aromatics for various feed compositions.

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Experimental study and kinetics modeling of partial oxidation reactions in heavily sooting laminar premixed methane flames

Cited by 26 publications

References 21 publications

Study on Products from Fuel-rich Methane Combustion near Sooting Limit Temperature Region and Importance of Methyl Radicals for the Formation of First Aromatic Rings

Study on Products from Fuel-rich Methane Combustion near Sooting Limit Temperature Region and Importance of Methyl Radicals for the Formation of First Aromatic Rings

Determination of temperature and water-concentration in fuel-rich oxy-fuel methane flames applying TDLAS

Modeling Study of High Temperature Pyrolysis of Natural Gas

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