Numerical simulation of soot formation in a turbulent diffusion flame: comparison among three soot formation models

2011 ◽  
Vol 226 (5) ◽  
pp. 1290-1301 ◽  
Author(s):  
R Sarlak ◽  
M Shams ◽  
R Ebrahimi
Keyword(s):  
Diffusion Flame ◽  
Turbulent Diffusion ◽  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Radiation Heat Transfer ◽  
Soot Volume Fraction ◽  
Suitable Model ◽  
Turbulent Diffusion Flame ◽  
Turbulent Diffusion Flames

Combustion and soot formation in a turbulent diffusion flame are simulated. Chemistry of combustion is treated with a detailed reaction mechanism that employs 49 species and 277 reactions. Turbulence is taken into account via the corrected k–ε model. Radiation heat transfer from flame is modelled by the P-1 model. An empirical model proposed by Khan and Greeves and two semi-empirical models proposed by Tesner and Lindstedt are used to simulate the soot formation in the flame. Khan and Greeves model showed to underpredict the maximum soot volume fraction. Nevertheless, the main shortcoming of Khan and Greeves model which undermines the applicability of this model to prediction of soot formation in turbulent diffusion flames is the inability to locate the highly sooting regions of the flame properly. Tesner model underpredicts the soot formation significantly, although the predicted shapes of the soot profiles are in accordance with the experimental measurements. Lindstedt model performs well in predicting both the maximum soot formation and the soot profile shapes in the chamber. Therefore, Lindstedt model can be considered as the most suitable model for the prediction of soot formation in turbulent diffusion flames.

A Numerical Study of the Influence of Hydrogen Addition on Soot Formation in a Laminar Counterflow Ethylene/Oxygen/Nitrogen Diffusion Flame

2004 ◽  
Author(s):  
Hongsheng Guo ◽  
Fengshan Liu ◽  
Gregory J. Smallwood
Keyword(s):  
Diffusion Flame ◽  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Numerical Study ◽  
Soot Volume Fraction ◽  
Phase Reaction ◽  
Nitrogen Diffusion ◽  
Atom Concentration ◽  
Hydrogen Addition

The influence of hydrogen addition to the fuel on soot formation in an ethylene/oxygen/nitrogen diffusion flame was numerically studied by simulation of three counterflow laminar diffusion flames at atmosphere pressure. The fuel mixtures for the three flames are pure ethylene, ethylene/hydrogen and ethylene/helium, respectively, while the oxidant is a mixture of oxygen and nitrogen. A detailed gas phase reaction mechanism including species up to benzene and complex thermal and transport properties were used. The soot inception and surface growth rates were, respectively, calculated based on benzene and HACA (H-abstraction and C2H2-addition) mechanisms. The predicted results for the three flames were compared and analyzed. It is indicated that although the addition of either hydrogen or helium to the fuel can reduce the soot volume fraction, the addition of hydrogen is more efficient. While the addition of helium reduces soot formation only through dilution, the addition of hydrogen suppresses soot formation through both dilution and chemical reaction effects. This conclusion is qualitatively consistent with available experiments. The simulations revel that the chemically inhibiting effect is caused by the decrease of hydrogen atom concentration in soot formation region, due to the displacement of the primary reaction zone, when hydrogen is added to the fuel.

scholarly journals Effect of the Preheated Oxidizer Temperature on Soot Formation and Flame Structure in Turbulent Methane-Air Diffusion Flames at 1 and 3 atm: A CFD Investigation

Energies ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3671
Author(s):  
Subrat Garnayak ◽  
Subhankar Mohapatra ◽  
Sukanta K. Dash ◽  
Bok Jik Lee ◽  
V. Mahendra Reddy
Keyword(s):  
Mole Fraction ◽  
Air Temperature ◽  
Reaction Rate ◽  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Flame Structure ◽  
Soot Volume Fraction ◽  
Computational Domain ◽  
Pressure Elevation

This article presents the results of computations on pilot-based turbulent methane/air co-flow diffusion flames under the influence of the preheated oxidizer temperature ranging from 293 to 723 K at two operating pressures of 1 and 3 atm. The focus is on investigating the soot formation and flame structure under the influence of both the preheated air and combustor pressure. The computations were conducted in a 2D axisymmetric computational domain by solving the Favre averaged governing equation using the finite volume-based CFD code Ansys Fluent 19.2. A steady laminar flamelet model in combination with GRI Mech 3.0 was considered for combustion modeling. A semi-empirical acetylene-based soot model proposed by Brookes and Moss was adopted to predict soot. A careful validation was initially carried out with the measurements by Brookes and Moss at 1 and 3 atm with the temperature of both fuel and air at 290 K before carrying out further simulation using preheated air. The results by the present computation demonstrated that the flame peak temperature increased with air temperature for both 1 and 3 atm, while it reduced with pressure elevation. The OH mole fraction, signifying reaction rate, increased with a rise in the oxidizer temperature at the two operating pressures of 1 and 3 atm. However, a reduced value of OH mole fraction was observed at 3 atm when compared with 1 atm. The soot volume fraction increased with air temperature as well as pressure. The reaction rate by soot surface growth, soot mass-nucleation, and soot-oxidation rate increased with an increase in both air temperature and pressure. Finally, the fuel consumption rate showed a decreasing trend with air temperature and an increasing trend with pressure elevation.

Soot formation in ducted turbulent diffusion flames

AIAA Journal ◽  
1991 ◽  
Vol 29 (6) ◽  
pp. 932-935 ◽  
Author(s):  
T. Neill ◽  
I. M. Kennedy
Keyword(s):  
Turbulent Diffusion ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Turbulent Diffusion Flames

Modeling of Free Vertical Turbulent Diffusion Flames

1991 ◽  
Author(s):  
M. A. Gadalla ◽  
M. A. R. Sharif
Keyword(s):  
Temperature Distribution ◽  
Turbulent Diffusion ◽  
Diffusion Flames ◽  
Turbulent Diffusion Flame ◽  
Jet Mixing ◽  
Turbulent Diffusion Flames ◽  
Air Jet ◽  
Annular Jet ◽  
Fuel Jet ◽  
Model Predictions

Abstract A mathematical/empirical model compatible with the jet mixing theory for predicting the flow field properties, flame envelope, temperature distribution, and flame heights around a free vertical axi-symmetric turbulent diffusion flame has been developed. The model considers the effects of buoyancy force and the relative angle between the reactant jets. The flames are issued from a burner which consists of a central air jet and an annular fuel (commercial butane) jet. The annular jet is issued either vertically or at an angle to the flame axis. Experiments were performed earlier to measure the temperature distribution and concentration of carbon dioxide and oxygen in such flames. Three angular positions of the annular fuel jet and nine burner geometries were investigated. The model predictions in similar configurations are found to be in fair agreement with the experimental data.

Analytical Formulation-Based Soot Modelling in Ethylene Laminar Jet Diffusion Flames

2021 ◽  
Author(s):  
Amit Makhija ◽  
Krishna Sesha Giri
Keyword(s):  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Mixture Fraction ◽  
Soot Volume Fraction ◽  
Smoke Point ◽  
Computational Time ◽  
Detailed Model ◽  
Conservation Equations ◽  
Oxidation Rates

Abstract Soot volume fraction predictions through simulations carried out on OpenFOAM® are reported in diffusion flames with ethylene fuel. A single-step global reaction mechanism for gas-phase species with an infinitely fast chemistry assumption is employed. Traditionally soot formation includes inception, nucleation, agglomeration, growth, and oxidation processes, and the individual rates are solved to determine soot levels. However, in the present work, the detailed model is replaced with the soot formation and oxidation rates, defined as analytical functions of mixture fraction and temperature, where the net soot formation rate can be defined as the sum of individual soot formation and oxidation rates. The soot formation/oxidation rates are modelled as surface area-independent processes. The flame is modelled by solving conservation equations for continuity, momentum, total energy, and species mass fractions. Additionally, separate conservation equations are solved to compute the mixture fraction and soot mass fraction consisting of source terms that are identical and account for the mixture fraction consumption/production due to soot. As a consequence, computational time can be reduced drastically. This is a quantitative approach that gives the principal soot formation regions depending on the combination of local mixture fraction and temperature. The implemented model is based on the smoke point height, an empirical method to predict the sooting propensity based on fuel stoichiometry. The model predicts better soot volume fraction in buoyant diffusion flames. It was also observed that the optimal fuel constants to evaluate soot formation rates for different fuels change with fuel stoichiometry. However, soot oxidation strictly occurs in a particular region in the flame; hence, they are independent of fuel. The numerical results are compared with the experimental measurements, showing an excellent agreement for the velocity and temperature. Qualitative agreements are observed for the soot volume fraction predictions. A close agreement was obtained in smoke point prediction for the overventilated flame. An established theory through simulations was also observed, which states that the amount of soot production is proportional to the fuel flow rate. Further validations underscore the predictive capabilities. Model improvements are also reported with better predictions of soot volume fractions through modifications to the model constants based on mixture fraction range.

scholarly journals The influence of aliphatics on soot inception modelling

2021 ◽  
Author(s):  
Nemanja Ceranic
Keyword(s):  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Fluid Dynamic ◽  
Soot Volume Fraction ◽  
Surface Reactivity ◽  
Complex Nature ◽  
Laminar Diffusion Flames ◽  
Laminar Diffusion ◽  
Polycyclic Aromatic

Soot models have been investigated for several decades and many fundamental models exist that prescribe soot formation in agreement with experiments and theories. However, due to the complex nature of soot formation, not all pathways have been fully characterized. This work has numerically studied the influence that aliphatic based inception models have on soot formation for coflow laminar diffusion flames. CoFlame is the in-house parallelized FORTRAN code that was used to conduct this research. It solves the combustion fluid dynamic conservation equations for a variety of coflow laminar diffusion flames. New soot inception models have been developed for specific aliphatics in conjunction with polycyclic aromatic hydrocarbon based inception. The purpose of these models was not to be completely fundamental in nature, but more so a proof-of-concept in that an aliphatic based mechanism could account for soot formation deficiencies that exist with just PAH based inception. The aliphatic based inception models show potential to enhance predicative capability by increasing the prediction of the soot volume fraction along the centerline without degrading the prediction along the pathline of maximum soot. Additionally, the surface reactivity that was used to achieve these results lied closer in the range of numerically derived optimal values as compared to the surface reactivity that was needed to match peak soot concentrations without the aliphatic based inception models.

scholarly journals A Numerical Investigation on Soot Formation From Laminar Diffusion Flames of Ethylene/Methane Mixture

2008 ◽  
Author(s):  
Hongsheng Guo ◽  
Stephanie Trottier ◽  
Matthew R. Johnson ◽  
Gregory J. Smallwood
Keyword(s):  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Soot Volume Fraction ◽  
Fuel Mixture ◽  
Methyl Radical ◽  
Laminar Diffusion Flames ◽  
Laminar Diffusion ◽  
Methane Mixture ◽  
Phase Chemistry

The sooting propensity of laminar diffusion flames employing ethylene/methane mixture fuel is investigated by numerical simulation. Detailed gas phase chemistry and moments method are used to describe the chemical reaction process and soot particle dynamics, respectively. The numerical model captures the primary features experimentally observed previously. At constant temperatures of air and fuel mixture, both maximum soot volume fraction and soot yield monotonically decrease with increasing the fraction of carbon from methane in the fuel mixture. However, when the temperatures of air and fuel mixture are preheated so that the adiabatic temperatures of all flames are same, the variation of the maximum soot yield becomes higher than what would be expected from a linear combination of the flames of pure ethylene and pure methane, showing a synergistic phenomenon in soot formation. Further analysis of the details of the numerical results suggests that the synergistic phenomenon is caused by the combined effects of the variations in the concentrations of acetylene (C2H2) and methyl radical (CH3). When the fraction of carbon from methane in fuel mixture increases, the concentration of C2H2 monotonically decreases, whereas that of methyl radical increases, resulting in a synergistic phenomenon in the variation of propargyl (C3H3) radical concentration due to the reactions C2H2 + CH3 = PC3H4 + H and PC3H4 + H = C3H3 + H2. This synergistic phenomenon causes a qualitatively similar variation trend in the concentration of pyrene (A4) owing to the reaction paths C3H3 → A1 (benzene) → A2 (naphthalene) → A3 (phenanthrene) → A4. Consequently, the synergistic effect occurs for soot inception and PAH condensation rates, leading to the synergistic phenomenon in soot yield. The similar synergistic phenomenon is not observed in the variation of peak soot volume fraction, since the maximum surface growth rate monotonically decreases, as the fraction of carbon from methane in fuel mixture increases.

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