Modelling compression ignition engines by incorporation of the flamelet generated manifolds combustion closure

Tabulated chemistry models allow to include detailed chemistry effects at low cost in numerical simulations of reactive flows. Characteristics of the reactive fluid flows are described by a reduced set of parameters that are representative of the flame structure at small scales so-called flamelets. For a specific turbulent combustion configuration, flamelet combustion closure, with proper formulation of the flame structure can be applied. In this study, flamelet generated manifolds (FGM) combustion closure with progress variable approach were incorporated with OpenFOAM® source code to model combustion within compression ignition engines. For IC engine applications, multi-dimensional flamelet look-up tables for counter flow diffusive flame configuration were generated. Source terms of non-premixed combustion configuration in flamelet domain were tabulated based on pressure, temperature of unburned mixture, mixture fraction, and progress variable. A new frozen flamelet method was introduced to link one dimensional reaction diffusion space to multi-dimensional Computational Fluid Dynamics (CFD) physical space to fulfill correct modelling of thermal state of the engine at expansion stroke when charge composition was changed after combustion and reaction rates were subsided. Predictability of the developed numerical framework were evaluated for Sandia Spray A (constant volume vessel), Spray B (light duty optical Diesel engine), and a heavy duty Diesel engine experiments under Reynolds averaged Navier Stokes turbulence formulation. Results showed that application of multi-dimensional FGM combustion closure can comprehensively predict key parameters such as: ignition delay, in-cylinder pressure, apparent heat release rate, flame lift-off , and flame structure in Diesel engines.     

A spray flamelet/progress variable approach combined with a transported joint PDF model for turbulent spray flames

A spray flamelet/progress variable approach is developed for use in spray combustion with partly pre-vaporised liquid fuel, where a laminar spray flamelet library accounts for evaporation within the laminar flame structures. For this purpose, the standard spray flamelet formulation for pure evaporating liquid fuel and oxidiser is extended by a chemical reaction progress variable in both the turbulent spray flame model and the laminar spray flame structures, in order to account for the effect of pre-vaporised liquid fuel for instance through use of a pilot flame. This new approach is combined with a transported joint probability density function (PDF) method for the simulation of a turbulent piloted ethanol/air spray flame, and the extension requires the formulation of a joint three-variate PDF depending on the gas phase mixture fraction, the chemical reaction progress variable, and gas enthalpy. The molecular mixing is modelled with the extended interaction-by-exchange-with-the-mean (IEM) model, where source terms account for spray evaporation and heat exchange due to evaporation as well as the chemical reaction rate for the chemical reaction progress variable. This is the first formulation using a spray flamelet model considering both evaporation and partly pre-vaporised liquid fuel within the laminar spray flamelets. Results with this new formulation show good agreement with the experimental data provided by A.R. Masri, Sydney, Australia. The analysis of the Lagrangian statistics of the gas temperature and the OH mass fraction indicates that partially premixed combustion prevails near the nozzle exit of the spray, whereas further downstream, the non-premixed flame is promoted towards the inner rich-side of the spray jet since the pilot flame heats up the premixed inner spray zone. In summary, the simulation with the new formulation considering the reaction progress variable shows good performance, greatly improving the standard formulation, and it provides new insight into the local structure of this complex spray flame.     

Flame structure and stabilization of lean-premixed sprays in a counterflow with low-volatility fuel

An experimental study was performed on the combustion of lean-premixed spays in a counterflow. n-Decane was used as a liquid fuel with low volatility. The flame structure and stabilization were discussed based on the flame-spread mechanism of a droplet array with a low-volatility fuel. The spray flame consisted of a blue region and a yellow luminous region. The flame spread among droplets and group-flame formation through the droplet interaction were observed on the premixed spray side, while envelope flames were also observed on the opposing airflow side. The blue-flame region consisted of premixed flames propagating in the mixture layer around each droplet, the envelope diffusion flames around each droplet, the lower parts of the group diffusion flame surrounding each droplet cluster, and the envelope flame around droplets passing through the group flame. The flame was stabilized within a specific range of the mean droplet diameter via a balance between the droplet velocity and the flame-spread rate of the premixed spray.     

Experimental and numerical study of a conical turbulent partially premixed flame

The structure and dynamics of a turbulent partially premixed methane/air flame in a conical burner were investigated using laser diagnostics and large-eddy simulations (LES). The flame structure inside the cone was characterized in detail using LES based on a two-scalar flamelet model, with the mixture fraction for the mixing field and level-set G-function for the partially premixed flame front propagation. In addition, planar laser induced florescence (PLIF) of CH and chemiluminescence imaging with high speed video were performed through a glass cone. CH and CH₂O PLIF were also used to examine the flame structures above the cone. It is shown that in the entire flame the CH layer remains very thin, whereas the CH₂O layer is rather thick. The flame is stabilized inside the cone a short distance above the nozzle. The stabilization of the flame can be simulated by the triple-flame model but not the flamelet-quenching model. The results show that flame stabilization in the cone is a result of premixed flame front propagation and flow reversal near the wall of the cone which is deemed to be dependent on the cone angle. Flamelet based LES is shown to capture the measured CH structures whereas the predicted CH₂O structure is somewhat thinner than the experiments.     

Prediction of NO in turbulent diffusion flames using Eulerian particle flamelet model

The combustion characteristics for the turbulent diffusion flames using the unsteady flamelet concept have been numerically investigated. The Favre-averaged Navier–Stokes equations are solved by a finite volume method of SIMPLE type that incorporates the laminar flamelet concept with a modified k ? ε turbulence model. The NO formation is estimated by solving the Eulerian particle transport equations in a postprocessing mode. Two test problems are considered: CH₄/H₂/N₂ jet flame and CH₄/H₂ stabilised bluff body flame. The temperature and species profiles are well captured by the flamelet model. Two different chemical mechanisms (GRI 2.11 and 3.0) give nearly identical results for temperature and species except NO. The GRI 3.0 gives significantly higher NO levels compared to the GRI 2.11. This is mainly attributed to the difference in NO formation by the prompt mechanism. The NO formation is sensitive to the number of flamelet particles. The NO levels for two test flames do not change when the flamelet particle number exceeds six.     

Conditional moment closure and transient flamelet modelling for detailed structure and NO x formation characteristics of turbulent nonpremixed jet and recirculating flames

This study has been mainly motivated to assess computationally and theoretically the conditional moment closure (CMC) model and the transient flamelet model for the simulation of turbulent nonpremixed flames. These two turbulent combustion models are implemented into the unstructured grid finite volume method that efficiently handles physically and geometrically complex turbulent reacting flows. Moreover, the parallel algorithm has been implemented to improve computational efficiency as well as to reduce the memory load of the CMC procedure. Example cases include two turbulent CO/H₂/N₂ jet flames having different flow timescales and the turbulent nonpremixed H₂/CO flame stabilized on an axisymmetric bluff-body burner. The Lagrangian flamelet model and the simplified CMC formulation are applied to the strongly parabolic jet flame calculation. On the other hand, the Eulerian particle flamelet model and full conservative CMC formulation are employed for the bluff-body flame with flow recirculation. Based on the numerical results, a detailed discussion is given for the comparative performances of the two combustion models in terms of the flame structure and NO _x formation characteristics.     

A fractal flame-wrinkling large eddy simulation model for premixed turbulent combustion

Combustion plays an important role in a wide variety of industrial applications, such as gas-turbines, furnaces, spark-ignition engines, and various air-breathing engines. The ability to predict and understand the behavior of reacting flows in practical devices is fundamental to improved combustors with higher efficiency and reduced levels of emissions. At present, large eddy simulation is considered the most promising approach for premixed combustion modeling since the large-scale energy containing flow structures are resolved on the grid. However, the typically thin reaction zone cannot be resolved. To overcome this difficulty flamelet models, in which the reaction is assumed to take place in thin layers, wrinkled by the turbulence can sometimes be used. In these models, the turbulent flame speed can be represented as the product of the laminar flame speed, S_u, corrected for the effects of stretch (strain and curvature) and the flame-wrinkling, Ξ. In this study, we propose to model Ξ using fractal theory. This model requires sub-models for the fractal dimension, and the inner and outer cut-offs—the latter being set by the grid. A model is proposed for the inner cut-off, whereas an empirical parameterization is used to provide the fractal dimension. The proposed model is applied to flame kernel growth in homogeneous isotropic turbulence in a fan-stirred bomb and to a lean premixed flame in a plane symmetric dump combustor. Good qualitative and quantitative agreement with experimental data were obtained for the proposed model in both cases. Comparison with other well-known turbulent flame speed closure models shows that the proposed model behaves at least as good, or even better, than the reference models.     

A study of ignition and combustion of liquid hydrocarbon droplets in premixed fuel/air mixtures in a rapid compression machine

The combustion of two fuels with disparate reactivity such as natural gas and diesel in internal combustion engines has been demonstrated as a means to increase efficiency, reduce fuel costs and reduce pollutant formation in comparison to traditional diesel or spark-ignited engines. However, dual fuel engines are constrained by the onset of uncontrolled fast combustion (i.e., engine knock) as well as incomplete combustion, which can result in high unburned hydrocarbon emissions. To study the fundamental combustion processes of ignition and flame propagation in dual fuel engines, a new method has been developed to inject single isolated liquid hydrocarbon droplets into premixed methane/air mixtures at elevated temperatures and pressures. An opposed-piston rapid compression machine was used in combination with a newly developed piezoelectric droplet injection system that is capable of injecting single liquid hydrocarbon droplets along the stagnation plane of the combustion chamber. A high-speed Schlieren optical system was used for imaging the combustion process in the chamber. Experiments were conducted by injecting diesel droplet of various diameters (50 µm < d_o < 400 µm), into methane/air mixtures with varying equivalence ratios (0 < ϕ < 1.2) over a range of compressed temperatures (700 K < T_c < 940 K). Multiple autoignition modes was observed in the vicinity of the liquid droplets, which were followed by transition to propagating premixed flames. A computational model was developed with CONVERGE™, which uses a 141 species dual-fuel chemical kinetic mechanism for the gas phase along with a transient, analytical droplet evaporation model to define the boundary conditions at the droplet surface. The simulations capture each of the different ignition modes in the vicinity of the injected spherical diesel droplet, along with bifurcation of the ignition event into a propagating, premixed methane/air flame and a stationary diesel/air diffusion flame.     

Partially premixed flamelet in LES of acetone spray flames

An effective partially premixed flamelet model for large eddy simulation (LES) of turbulent spray combustion is formulated. Different flame regimes are identified with a flame index defined by budget terms in a 2-D multi-phase flamelet formulation, and the application in LES of partially pre-vaporized spray flames shows a favorable agreement with experiments. Simulations demonstrate that, compared to the conventional single-regime flamelets, the present partially premixed flamelet formulation shows its ability in capturing the subgrid regime transitions, yielding a well prediction of peak gas temperature and the downstream flame spreading. A propagating premixed flame front is found coupled with a trailing diffusion burning through the spray evaporation, and the spray effect on regime discrimination is manifested with transport budget analysis. A two-phase regime indicator is then proposed, by which the evaporation-dictated regime is properly described. Its intended use will rely on both gas and spray flamelet structures.     

湍流分层燃烧的直接数值模拟和小火焰模型研究

湍流分层燃烧广泛应用于工业燃烧装置,但是目前还比较缺乏适用于湍流分层燃烧的高精度数值模型。本文利用直接数值模拟数据库,对高Karlovitz数分层射流火焰的小火焰模型表现进行了先验性评估。考虑了两种小火焰模型,一种是基于自由传播层流预混火焰的小火焰模型M1,另一种是基于分层对冲小火焰的小火焰模型M2。研究发现M1和M2在c-Z空间的结果与直接数值模拟在定性上是一致的。在物理空间,M2对过程变量反应速率脉动值的预测结果要优于M1.     

Premixed flames for arbitrary combinations of strain and curvature

Many modeling strategies for combustion rely on laminar flamelet concepts to determine structure and properties of multi-dimensional and turbulent flames. Using flamelet tabulation strategies, the user anticipates certain aspects of the combustion process prior to the simulation and selects a flamelet model which mimics local flame conditions in the more complex configuration. Flame stretch, which can be decomposed into contributions from strain and curvature, is one of the conditions influencing a flame’s properties, structure, and stability. The objective of this work is to study premixed flame structures in the strain-curvature space using a recently published composition space model (CSM) and three physical space models for canonical flame configurations (stagnation flame, spherical expanding flame and inwardly propagating flame). Flames with effective Lewis numbers both smaller and larger than unity are considered. For canonical laminar flames, the stretch components are inherently determined through boundary conditions and their specific flame configuration. Therefore, canonical flames can only represent a certain sub-set of stretch effects experienced by multi-dimensional and turbulent flames. On the contrary, the CSM allows arbitrary combinations of strain and curvature to be prescribed for premixed flames exceeding the conditions attainable with the canonical flame setups. Thereby, also influences of negative strain effects and large curvatures can be studied. A parameter variation with the CSM shows that flame structures still significantly change outside the region of the canonical flame configurations. Furthermore, limits in the strain-curvature space are discussed. The present paper highlights advantages of composition space modeling which is achieved by detaching the representation of the flame structure from a specific canonical flame configuration in physical space.     

Numerical simulation of a mixed-mode reaction front in a PPC engine

The ignition process, mode of combustion and reaction front propagation in a partially premixed combustion (PPC) engine running with a primary reference fuel (87% iso-octane, 13% n-heptane by volume) is studied numerically in a large eddy simulation. Different combustion modes, ignition front propagation, premixed flame and non-premixed flame, are observed simultaneously. Displacement speed of CO iso-surface propagation describes the transition of premixed auto-ignition to non-premixed flame. High temporal resolution optical data of CH₂O and chemiluminescence are compared with simulated results. A high speed ignition front is seen to expand through fuel-rich mixture and stabilize around stoichiometry in a non-premixed flame while lean premixed combustion occurs in the spray wake at a much slower pace. A good qualitative agreement of the distribution of chemiluminescence and CH₂O formation and destruction shows that the simulation approach sufficiently captures the driving physics of mixed-mode combustion in PPC engines. The study shows that the transition from auto-ignition to flame occurs over a period of several crank angles and the reaction front propagation can be captured using the described model.     

Modelling of turbulent lifted jet flames using flamelets: a priori assessment and a posteriori validation

This study focuses on the modelling of turbulent lifted jet flames using flamelets and a presumed Probability Density Function (PDF) approach with interest in both flame lift-off height and flame brush structure. First, flamelet models used to capture contributions from premixed and non-premixed modes of the partially premixed combustion in the lifted jet flame are assessed using a Direct Numerical Simulation (DNS) data for a turbulent lifted hydrogen jet flame. The joint PDFs of mixture fraction Z and progress variable c, including their statistical correlation, are obtained using a copula method, which is also validated using the DNS data. The statistically independent PDFs are found to be generally inadequate to represent the joint PDFs from the DNS data. The effects of Z–c correlation and the contribution from the non-premixed combustion mode on the flame lift-off height are studied systematically by including one effect at a time in the simulations used for a posteriori validation. A simple model including the effects of chemical kinetics and scalar dissipation rate is suggested and used for non-premixed combustion contributions. The results clearly show that both Z–c correlation and non-premixed combustion effects are required in the premixed flamelets approach to get good agreement with the measured flame lift-off heights as a function of jet velocity. The flame brush structure reported in earlier experimental studies is also captured reasonably well for various axial positions. It seems that flame stabilisation is influenced by both premixed and non-premixed combustion modes, and their mutual influences.     

旋流燃烧器复合小火焰模型的大涡模拟

对低旋燃烧器内的流动和燃烧进行了大涡模拟,其中化学反应分别采用传统的扩散小火焰模型和所提出的复合小火焰模型描述。复合小火焰模型借助于燃烧区索引的概念区分当地的燃烧模式,若当地的燃烧为扩散燃烧,则调用扩散小火焰库,否则调用预混小火焰库。数值结果与实验数据的对比表明,采用大涡模拟方法结合小火焰模型能够很好地模拟实验室尺度的低旋燃烧器,且采用复合小火焰模型能够得到更加符合实际的结果。     

A three mixture fraction flamelet model for multi-stream laminar pulverized coal combustion

A three mixture fraction flamelet model is proposed for multi-stream laminar pulverized coal combustion. The technique of coordinate transformation is utilized to map the flamelet solutions from a unit pyramid space into a unit cubic space to improve the stability of the simulation. The validity of the three mixture fraction flamelet model was assessed on different configurations, including a laminar counterflow pulverized coal/methane flame and a laminar piloted pulverized coal jet flame. The flamelet predictions were compared to the reference results of the detailed chemistry solutions. For the counterflow flame, it was found that the flame temperature and major species mass fractions are correctly predicted by the three mixture fraction flamelet model. However, discrepancies are observed for combustion-mode-sensitive species such as CO and H₂ in the premixed combustion region. The thermo-chemical quantities in the char surface reaction zone cannot be correctly predicted if the mixing between the char off-gas stream and other streams is neglected. For the piloted jet flame, it was shown that the stable thermo-chemical variables can be correctly predicted at the upper and middle stream locations. However, at the downstream location, discrepancies can be observed in certain regions. Overall, the validity of the three mixture fraction flamelet model for multi-stream pulverized coal combustion is confirmed and its performance in turbulent pulverized coal combustion will be tested in future work.     

Flame front analysis of high-pressure turbulent lean premixed methane–air flames

An experimental study on lean turbulent premixed methane–air flames at high pressure is conducted by using a turbulent Bunsen flame configuration. A single equivalence ratio flame at Φ = 0.6 is explored for pressures ranging from atmospheric pressure to 0.9 MPa. LDA measurements of the cold flow indicate that turbulence intensities and the integral length scale are not sensitive to pressure. Due to the decreased kinematic viscosity with increasing pressure, the turbulent Reynolds numbers increase, and isotropic turbulence scaling relations indicate a large decrease of the smallest turbulence scales. Available experimental results and PREMIX code computations indicate a decrease in laminar flame propagation velocities with increasing pressure, essentially between the atmospheric pressure and 0.5 MPa. The u′/S_L ratio increases therefore accordingly. Instantaneous flame images are obtained by Mie scattering tomography. The images and their analysis show that pressure increase generates small scale flame structures. In an attempt to generalize these results, the variance of the flamelet curvatures, the standard deviation of the flamelet orientation angle, and the flamelet crossing lengths have been plotted against which is proportional to the ratio between the integral and Taylor length scales, and which increases with pressure. These three parameters vary linearly with the ratio between large and small turbulence scales and clearly indicate the strong effect of this parameter on premixed turbulent flame dynamics and structure. An obvious consequence is the increase in flame surface density and hence burning rate with pressure, as confirmed by its direct determination from 2D tomographic images.     

Structure of propagating edge diffusion flames in hydrocarbon fuel jets

Direct numerical simulations with a C₃-chemistry model have been performed to investigate the transient behavior and internal structure of flames propagating in an axisymmetric fuel jet of methane, ethane, ethylene, acetylene, or propane in normal earth gravity (1g) and zero gravity (0g). The fuel issued from a 3-mm-i.d. tube into quasi-quiescent air for a fixed mixing time of 0.3 s before it was ignited along the centerline where the fuel–air mixture was at stoichiometry. The edge of the flame formed a vigorously burning peak reactivity spot, i.e., reaction kernel, and propagated through a flammable mixture layer, leaving behind a trailing diffusion flame. The reaction kernel broadened laterally across the flammable mixture layer and possessed characteristics of premixed flames in the direction of propagation and unique flame structure in the transverse direction. The reaction kernel grew wings on both fuel and air sides to form a triple-flame-like structure, particularly for ethylene and acetylene, whereas for alkanes, the fuel-rich wing tended to merge with the main diffusion flame zone, particularly methane. The topology of edge diffusion flames depend on the properties of fuels, particularly the rich flammability limit, and the mechanistic oxidation pathways. The transit velocity of edge diffusion flames, determined from a time series of calculated temperature field, equaled to the measured laminar flame speed of the stoichiometric fuel–air mixtures, available in the literature, independent of the gravity level.     

Flame structure analysis and flamelet progress variable modelling of strained coal flames

Strained two-phase pulverised coal flames in a counterflow configuration are investigated numerically. Three operating conditions with different coal-to-primary-air ratios and inlet velocities were evaluated in order to establish different flame regimes. At first, the two-phase flow of the fully resolved reference cases is calculated solving the transport equation for the species and directly evaluating the reaction rates. Different flame structures are identified using the heat release rate and the chemical explosive mode as markers, showing that complex structures with a combination of lean premixed and non-premixed flames can be observed in strained counterflow coal flames. In addition to the fully resolved simulation, the suitability of the Flamelet-Progress Variable (FPV) model is investigated. Both premixed and non-premixed tables are employed. At first, the suitability of the look-up tables is evaluated by means of an a priori analysis, using the fully resolved simulations as reference solutions, showing that the non-premixed flamelet table correctly predicts the structure of the strained coal flames, while the premixed table shows sensible deviations in terms of temperature and species, especially at rich conditions. Finally, the a posteriori analysis shows that the fully coupled FPV model with a non-premixed flamelet look-up table can accurately predict strained coal flames.     

Structure of partially premixed n-heptane–air counterflow flames

To avoid the complexities associated with the droplet/vapor transport and nonuniform evaporation processes, a fundamental investigation of liquid fuel combustion in idealized configurations is very useful. An experimental–computational investigation of prevaporized n-heptane nonpremixed and partially premixed flames established in a counterflow burner is described. There is a general agreement between various facets of our nonpremixed flame measurements and the literature data. The partially premixed flames are characterized by a double flame structure. This becomes more distinct as the strain rate decreases and partial premixing increases, which also increases the separation distance between the two reaction zones. The peak partially premixed flame temperature increases with increasing premixing of the fuel stream. The peak CO₂ and H₂O concentrations are relatively insensitive to partial premixing. The CO and H₂ peak concentrations on the premixed side increase as the fuel-side equivalence ratio decreases. These species are transported to the nonpremixed reaction zone where they oxidize. The C₂ species have peaks in the premixed reaction zone. The concentrations of olefins are ten times larger than those of the corresponding paraffins. The oxidizer is present in partially premixed flames throughout the combustion system and there are no regions characterized by simultaneous high temperature and high fuel concentration. As a result, pyrolysis reactions leading to soot formation are greatly diminished.