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 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.

scholarly journals Experimental Study of Coflow Propane—Air Laminar Diffusion Flames at Subatmospheric Pressures

2021 ◽  
Vol 11 (13) ◽  
pp. 5979
Author(s):  
Jiajie Yao ◽  
Jiahao Liu ◽  
Jian Wang
Keyword(s):  
Mass Flow ◽  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Velocity Ratio ◽  
Soot Volume Fraction ◽  
Physical Structure ◽  
Nonmonotonic Dependence ◽  
Laminar Diffusion Flames ◽  
Laminar Diffusion

The effect of pressure on the flame’s physical structure and soot formation of the coflow propane—air laminar diffusion flames was studied experimentally at subatmospheric pressures from 30 to 101 kPa. Flames with a constant fuel mass flow rate combined with two different coflow air mass flow rates were investigated at different pressures. The spatially resolved relative soot volume fraction was measured using the laser-induced incandescence (LII) method. The height of the visible flame decreased moderately as the pressure (p) reduced from 101 to 30 kPa. The maximum flame diameter increased proportionally to pn , where the exponent changed from −0.4 to −0.52 as the air-to-fuel velocity ratio decreased from 1.0 to 0.5. Strong pressure dependence of the maximum relative soot volume fraction and the normalized maximum soot mass flow were observed and could be described by a power law relationship. However, a nonmonotonic dependence of soot formation on the air-to-fuel velocity ratio was observed at all the considered pressures.

scholarly journals Experimental and Numerical Study on the Sooting Behaviors of Furanic Biofuels in Laminar Counterflow Diffusion Flames

Energies ◽  
2021 ◽  
Vol 14 (18) ◽  
pp. 5995
Author(s):  
Qianqian Mu ◽  
Fuwu Yan ◽  
Jizhou Zhang ◽  
Lei Xu ◽  
Yu Wang
Keyword(s):  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Numerical Study ◽  
Soot Volume Fraction ◽  
Special Focus ◽  
Counterflow Diffusion Flames ◽  
C3 Species ◽  
Polycyclic Aromatic ◽  
Counterflow Flames

Furanic biofuels have received increasing research interest over recent years, due to their potential in reducing greenhouse gas emissions and mitigating the production of harmful pollutants. Nevertheless, the heterocyclic structure in furans make them readily to produce soot, which requires an in-depth understanding. In this study, the sooting characteristic of several typical furanic biofuels, i.e., furan, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF), were investigated in laminar counterflow flames. Combined laser-based soot measurements with numerical analysis were performed. Special focus was put on understanding how the fuel structure of furans could affect soot formation. The results show that furan has the lowest soot volume fraction, followed by DMF, while MF has the largest value. Kinetic analyses revealed that the decomposition of MF produces high amounts of C3 species, which are efficient benzene precursors. This may be the reason for the enhanced formation of polycyclic aromatic hydrocarbons (PAHs) and soot in MF flames, as compared to DMF and furan flames. The major objectives of this work are to: (1) understand the sooting behavior of furanic fuels in counterflow flames, (2) elucidate the fuel structure effects of furans on soot formation, and (3) provide database of quantitative soot concentration for model validation and refinements.

scholarly journals Experimental Study of Soot Volume Fraction Applied in Laminar Diffusion Flames

2013 ◽  
Vol 03 (04) ◽  
pp. 137-141 ◽  
Author(s):  
N. R. Caetano ◽  
F. M. Pereira ◽  
H. A. Vielmo ◽  
F. T. van der Lann
Keyword(s):  
Experimental Study ◽  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Volume Fraction ◽  
Laminar Diffusion Flames ◽  
Laminar Diffusion

scholarly journals Detailed numerical study of soot surface growth and oxidation in laminar diffusion flames

2021 ◽  
Author(s):  
Ali Khosousi
Keyword(s):  
Diffusion Flames ◽  
Soot Formation ◽  
Surface Reactivity ◽  
Surface Growth ◽  
New Model ◽  
Laminar Diffusion Flames ◽  
Surface Character ◽  
Laminar Diffusion ◽  
Soot Loading ◽  
Ethanol Blends

he focus of the present study is to obtain detailed knowledge of the soot formation and oxidation processes in laminar diffusion flames. The present work studies the effects of various flame properties on soot growth and oxidation, and how they affect a flame’s sooting behaviour. Numerically modelling of soot formation in laminar coflow diffusion flames of vaporized gasoline/ethanol blends at atmospheric pressure is performed. The numerical results are compared with experimental data to gain improved understanding of ethanol addition to gasoline on soot formation. Four gasoline/ethanol blends are investigated to quantify how soot loading varies with the amount of ethanol blending in the fuel. The results of experimental and numerical modelling agree relatively well in terms of the levels of soot volume fraction. Both results show a decrease in soot loading as more ethanol is added in the fuel stream. The work continues by numerically studying the oxidation of soot in laminar ethylene/air coflow diffusion flames. A new model for soot oxidation, a complex process in numerical soot modelling, is developed based on the observation that soot ageing reduces surface reactivity. Using this new model, it is possible to capture the correct behaviour of both smoking and non- smoking flames in various flame configurations. Along with a detailed soot sectional model, the new model predicts the correct soot volume fractions, smoke emission characteristics, and primary particle diameters for different flames without any variation in model parameters. The work extends to study soot surface reactivity in the growth and oxidation regions. Laminar ethylene/air and methane/air coflow diffusion flames are numerically studied to develop a unique soot surface reactivity model. A newly developed surface character model simultaneously accounts for soot surface reactivity in surface growth and oxidation by considering soot ageing and its effects on the particle surface. The new model, which eliminates tuning of one modelling parameter, reconciles the quantification of the evolving soot surface character for both growth and oxidation. The model is shown to be uniquely capable of predicting soot concentrations and smoke emissions within experimental uncertainty in a wide range of laminar diffusion sooting flames.

scholarly journals Detailed numerical study of soot surface growth and oxidation in laminar diffusion flames

2021 ◽  
Author(s):  
Ali Khosousi
Keyword(s):  
Diffusion Flames ◽  
Soot Formation ◽  
Surface Reactivity ◽  
Surface Growth ◽  
New Model ◽  
Laminar Diffusion Flames ◽  
Surface Character ◽  
Laminar Diffusion ◽  
Soot Loading ◽  
Ethanol Blends

he focus of the present study is to obtain detailed knowledge of the soot formation and oxidation processes in laminar diffusion flames. The present work studies the effects of various flame properties on soot growth and oxidation, and how they affect a flame’s sooting behaviour. Numerically modelling of soot formation in laminar coflow diffusion flames of vaporized gasoline/ethanol blends at atmospheric pressure is performed. The numerical results are compared with experimental data to gain improved understanding of ethanol addition to gasoline on soot formation. Four gasoline/ethanol blends are investigated to quantify how soot loading varies with the amount of ethanol blending in the fuel. The results of experimental and numerical modelling agree relatively well in terms of the levels of soot volume fraction. Both results show a decrease in soot loading as more ethanol is added in the fuel stream. The work continues by numerically studying the oxidation of soot in laminar ethylene/air coflow diffusion flames. A new model for soot oxidation, a complex process in numerical soot modelling, is developed based on the observation that soot ageing reduces surface reactivity. Using this new model, it is possible to capture the correct behaviour of both smoking and non- smoking flames in various flame configurations. Along with a detailed soot sectional model, the new model predicts the correct soot volume fractions, smoke emission characteristics, and primary particle diameters for different flames without any variation in model parameters. The work extends to study soot surface reactivity in the growth and oxidation regions. Laminar ethylene/air and methane/air coflow diffusion flames are numerically studied to develop a unique soot surface reactivity model. A newly developed surface character model simultaneously accounts for soot surface reactivity in surface growth and oxidation by considering soot ageing and its effects on the particle surface. The new model, which eliminates tuning of one modelling parameter, reconciles the quantification of the evolving soot surface character for both growth and oxidation. The model is shown to be uniquely capable of predicting soot concentrations and smoke emissions within experimental uncertainty in a wide range of laminar diffusion sooting flames.

scholarly journals Two-dimensional imaging of soot volume fraction in laminar diffusion flames

1999 ◽  
Vol 38 (12) ◽  
pp. 2478 ◽  
Author(s):  
David R. Snelling ◽  
Kevin A. Thomson ◽  
Gregory J. Smallwood ◽  
Ömer L. Gülder
Keyword(s):  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Volume Fraction ◽  
Two Dimensional ◽  
Laminar Diffusion Flames ◽  
Laminar Diffusion

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.

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.

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