Uncertainty quantification of ion chemistry in lean and stoichiometric homogenous mixtures of methane, oxygen, and argon

Kim, Daesang; Rizzi, Francesco; Cheng, Kwok Wah; Han, Jie; Bisetti, Fabrizio; Knio, Omar M.

doi:10.1016/j.combustflame.2015.03.013

Cited by 28 publications

(47 citation statements)

References 68 publications

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“…It is widely recognized that electrons, ions and neutrals take part in numerous charge transfer reactions, which give rise to many positive and negative ions in addition to those considered here [15]. Nonetheless, the total positive charge in a flame is not affected significantly by the complex, and largely uncertain, network of proton transfer reactions, so that the total concentration of cations depends mostly on the rates of chemi-ionization (R1) and, to a lesser extent, those of recombination (R3) [15].…”

Section: Configuration Models and Methodsmentioning

confidence: 99%

“…Nonetheless, the total positive charge in a flame is not affected significantly by the complex, and largely uncertain, network of proton transfer reactions, so that the total concentration of cations depends mostly on the rates of chemi-ionization (R1) and, to a lesser extent, those of recombination (R3) [15]. Accordingly, and since the concentration of HCO + is negligible, the H 3 O + ion is representative of the totality of the positive ions in a flame.…”

Section: Configuration Models and Methodsmentioning

confidence: 99%

“…The H 3 O + and HCO + ions are key participants in the chemistry of charged species because H 3 O + is the most abundant cation in lean to stoichiometric hydrocarbon flames [15] and, although only present in trace amounts, HCO + plays a role in the fast proton transfer reaction (R2) leading to H 3 O + . The thermodynamic properties of charged species are taken from the Burcat database [16].…”

Section: Configuration Models and Methodsmentioning

confidence: 99%

See 2 more Smart Citations

The i−V curve characteristics of burner-stabilized premixed flames: detailed and reduced models

Han

Belhi

Casey

et al. 2017

Proceedings of the Combustion Institute

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The i -V curve describes the current drawn from a flame as a function of the voltage difference applied across the reaction zone. Since combustion diagnostics and flame control strategies based on electric fields depend on the amount of current drawn from flames, there is significant interest in modeling and understanding i -V curves. We implement and apply a detailed model for the simulation of the production and transport of ions and electrons in one-dimensional premixed flames. An analytical reduced model is developed based on the detailed one, and analytical expressions are used to gain insight into the characteristics of the i -V curve for various flame configurations. In order for the reduced model to capture the spatial distribution of the electric field accurately, the concept of a dead zone region, where voltage is constant, is introduced, and a suitable closure for the spatial extent of the dead zone is proposed and validated. The results from the reduced modeling framework are found to be in good agreement with those from the detailed simulations. The saturation voltage is found to depend significantly on the flame location relative to the electrodes, and on the sign of the voltage difference applied. Furthermore, at sub-saturation conditions, the current is shown to increase * Corresponding author Email address: fbisetti@utexas.edu (Fabrizio Bisetti)Preprint submitted to Proceedings of the Combustion Institute July 17, 2016linearly or quadratically with the applied voltage, depending on the flame location. These limiting behaviors exhibited by the reduced model elucidate the features of i -V curves observed experimentally. The reduced model relies on the existence of a thin layer where charges are produced, corresponding to the reaction zone of a flame. Consequently, the analytical model we propose is not limited to the study of premixed flames, and may be applied easily to others configurations, e.g. nonpremixed counterflow flames.

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Section: Configuration Models and Methodsmentioning

confidence: 99%

Section: Configuration Models and Methodsmentioning

confidence: 99%

Section: Configuration Models and Methodsmentioning

confidence: 99%

See 1 more Smart Citation

The i−V curve characteristics of burner-stabilized premixed flames: detailed and reduced models

Han

Belhi

Casey

et al. 2017

Proceedings of the Combustion Institute

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“…In the present work, a modified AramcoMech 1.3 C 0 -C 2 mechanism [27] was used for neutral species. The modification was carried out to improve the prediction of CH radical, which is responsible for the generation of electrons and ions via chemi-ionization [28] .…”

Section: Numerical Methods and Modelmentioning

confidence: 99%

New insights into methane-oxygen ion chemistry

Alquaity

Chen

Han

et al. 2017

Proceedings of the Combustion Institute

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“…Besides, a reduced ionic reaction mechanism [33,40], which was described in Table 1 by six reactions, including CHO + and H 3 O + that account for more than 95% of the total positive ions in lean combustion, was also added into the mechanism as a supplement. As this paper mainly focuses on the change of the flow field, but not the change of ionic reaction, the reduced ionic reaction mechanism should be acceptable in our simulation.…”

Section: Reaction Mechanismmentioning

confidence: 99%

Deformation Study of Lean Methane-Air Premixed Spherically Expanding Flames under a Negative Direct Current Electric Field

et al. 2016

Energies

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This paper compares numerical simulations with experiments to study the deformation of lean premixed spherically expanding flames under a negative direct current (DC) electric field. The experiments, including the flame deformation and the ionic distribution on the flame surface were investigated in a mesh to mesh electric field. Besides, a numerical model of adding an electric body force to the positive ions on the flame surface was also established to perform a relevant simulation. Results show that the spherical flame will acquire an elliptical shape with a marked flame stretch in the horizontal direction and a slight inhibition in the vertical direction under a negative DC electric field. Meanwhile, a non-uniform ionic distribution on the flame surface was also detected by the Langmuir probe. The simulation results from the numerical model show good agreement with experimental data. According to the velocity field analysis in simulation, it was found the particular motion of positive ions and neutral molecules on the flame surface should be responsible for the special flame deformation. When a negative DC electric field was applied, the majority of positive ions and colliding neutral molecules will form an ionic flow along the flame surface by a superposition of the electric field force and the aerodynamic drag. The ionic flow was not uniform and mainly formed on the upper and lower sides, so it will lead to a non-uniform ionic distribution along the flame surface. What's more, this ionic flow will also induce two vortexes both inside and outside of the flame surface due to viscosity effects. The external vortexes could produce an entraining effect on the premixed gas and take away the heat from the flame surface by forced convection, and then suppress the flame propagation in the vertical direction, while, the inner vortexes would scroll the burned zones and induce an inward flow at the horizontal center, which could be the reason for the pitted structure at the horizontal center when a high voltage was applied.

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Uncertainty quantification of ion chemistry in lean and stoichiometric homogenous mixtures of methane, oxygen, and argon

Cited by 28 publications

References 68 publications

The i−V curve characteristics of burner-stabilized premixed flames: detailed and reduced models

The i−V curve characteristics of burner-stabilized premixed flames: detailed and reduced models

New insights into methane-oxygen ion chemistry

Deformation Study of Lean Methane-Air Premixed Spherically Expanding Flames under a Negative Direct Current Electric Field

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