Combustion chemistry of propane: A case study of detailed reaction mechanism optimization

The propagation rates (Uedge) of edge-flames in premixed hydrocarbon-oxygen-inert mixtures were measured as a function of global strain rate (σ), mixture strength, and (by changing fuel and inert type) Lewis number (Le). Using a counterflow slot-jet burner with electrical heaters at both ends to anchor the flame edges, both advancing (positive Uedge) and retreating (negative Uedge) edge-flames were characterized. Results are presented for both twin (premixed gas against premixed gas) and single (premixed gas against cold inert gas) edge-flames in terms of the effects of a non-dimensional strain rate (e) and non-dimensional heat loss (k) on a scaled propagation rate. Uedge showed a strong dependence on Le and flames images show that high (low) Le lead to weaker (stronger) edge-flame burning intensity. Uedge for single edge-flames scaled with the square root of the unburned to burned gas density ratio in a manner similar to nonpremixed flames whereas for premixed flames Uedge scaled linearly with density ratio. Edge-flames exhibited two extinction limits corresponding to a high-σ strain induced limit and a low-σ heat loss induced limit; a simple description of the low-σ limits was proposed and found to correlate well with experiments in twin-premixed, single-premixed, and nonpremixed edge-flames over more than a two-decade range of k. Results are in good qualitative and reasonable quantitative agreement with simple theories except that retreating twin edge-flames in high-Le mixtures are predicted theoretically but were not observed experimentally.

show abstract

“…Table 1 shows properties of these mixtures. SL was computed using PREMIX with USC Mech II chemical kinetics data [16].…”

Section: Experimental Apparatusmentioning

confidence: 99%

Propagation and extinction of premixed edge-flames

Clayton

Suk

Ronney

2019

Proceedings of the Combustion Institute

View full text Add to dashboard Cite

show abstract

“…For combustion modelling, we use the steady laminar flamelet approach [12][13][14][15][16][17][18][19] in which the laminar flamelets are pre-computed via the detailed kinetic scheme of Qin [20]. The transport equations for the first two moment of mixture fractions are given by…”

Section: The Governing Equationsmentioning

confidence: 99%

The Control of Pollutant Emission from Syngas Flames Using the Oxidizer Dilution Approach

Darbandi¹,

Ghafourizadeh²,

Schneider³

2017

Proceedings of the 4th International Conference of Fluid Flow, Heat and Mass Transfer (FFHMT'17)

View full text Add to dashboard Cite

-In this work, we aim to control the emission of greenhouse gases from different syngas-fuel-based flames or the bluff-body stabilized turbulent flame. First, we validate our numerical analysis by solving a benchmark test case using the detailed-chemistry and compare our obtained results with those of experiment. The benchmark test case is fed with a syngas fuel. The comparison shows that our numerical analysis can predict the structure of benchmark flame very well. Second, we simulate the test case with fuelling the same flame; however, fed with different syngas fuels. Then, we compare their achieved greenhouse gas emissions with each other. We feed the flame with different syngas fuels produced from biomass, wood waste, and turkey feathers. Considering these different syngas fuels, we extend the scope of this study and simulate these flames under different conditions of oxidizer dilution. In other words, we dilute the oxidizer by feeding extra nitrogen and report the greenhouse gases emitted from these flames. The comparison is performed to demonstrate the effect of extra nitrogen dilution on their pollution emissions. Our findings show that the dilution of oxidizer (by feeding extra nitrogen) will considerably affect the pollutants emission form these flames. The current study also shows that the emission of carbon monoxide CO would be seriously reduced using the extra nitrogen dilution technique.

show abstract

“…A standard k-ε turbulence model [26] was used to close the equation set. Closure of the mean density term was achieved using a prescribed β-PDF, with instantaneous values of density derived from adiabatic, equilibrium calculations based on the kinetic mechanism of Qin et al [27]. Standard turbulence modelling constants appropriate to axisymmetric flows were employed to ensure the accurate prediction of the spreading rate of the jets, apart from an adjustment made to the value of C ε2 from 1.92 to 1.84 used to increase the dissipation rate of turbulence kinetic energy.…”

Section: Turbulent Flow Calculationsmentioning

confidence: 99%

“…The remaining non-linear chemical source term i w η is modelled as for simple first-order closure. Mean values were obtained using the CHEMKIN package [34] together with a full chemical kinetic scheme consisting 70 species and 463 reactions attributed to Qin et al [27] and optimised on the oxidation of C 3 hydrocarbon species. The C 1 and C 2 kinetic components were obtained from the GRI-Mech 3.0 mechanism [35], and propane chemistry represented by 258 additional reactions from the scheme of Davis et al [36].…”

Section: First-order Cmc Combustion Modelmentioning

confidence: 99%

Conditional moment closure modelling of soot formation in turbulent, non-premixed methane and propane flames

Woolley

Fairweather

Yunardi

2009

Fuel

View full text Add to dashboard Cite

Published paperPresented are results obtained from the incorporation of a semi-empirical soot model into a first-order conditional moment closure (CMC) approach to modelling turbulent, non-premixed methane-and propane-air flames. Soot formation is determined via the solution of two transport equations for soot mass fraction and particle number density, with acetylene and benzene employed as the incipient species responsible for soot nucleation, and the concentrations of these calculated using a detailed gas-phase kinetic scheme involving 70 species. The study focuses on the influence of differential diffusion of soot particles on soot volume fraction predictions. The results of calculations are compared with experimental data for atmospheric and 3 atmosphere methane flames, and propane flames with air preheated to 323 K and 773 K. Overall, the study demonstrates that the model, when used in conjunction with a representation of differential diffusion effects, is capable of accurately predicting soot formation in the turbulent non-premixed flames considered.

show abstract

Combustion chemistry of propane: A case study of detailed reaction mechanism optimization

Cited by 311 publications

References 11 publications

Propagation and extinction of premixed edge-flames

Propagation and extinction of premixed edge-flames

The Control of Pollutant Emission from Syngas Flames Using the Oxidizer Dilution Approach

Conditional moment closure modelling of soot formation in turbulent, non-premixed methane and propane flames

Contact Info

Product

Resources

About