Development of Chemistry Coordinate Mapping Approach for Turbulent Partially Premixed Combustion

Direct numerical simulation (DNS) coupling with chemistry coordinate mapping (CCM) is presented to simulate flame propagation and auto-ignition in a partially premixed syngas/air mixture. In the CCM approach, the physical domain is mapped into a low dimensional phase space with a few thermodynamic variables as the independent variables. The integration of the chemical reaction rates and heat release rate are done on the grid in the phase space. Previously we showed that for premixed mixtures, two variables temperature and specific element mass fraction of H atom, can be sufficient to construct the phase space for a satisfactory mapping. However, for partially premixed combustion mode, a third phase space variable is required to map the physical cell into the phase space. It is shown that scalar dissipation rate of the element mass ratio of H atom can be used as the third dimension of the phase space. An investigation is carried out on the behavior of CCM and the choice over the element on which the local element mass ratio should be based. Mapping error in the CCM is investigated. It is shown that if the element mass ratio is based on the element involved in the most diffusive molecules, the error of the mapping can approach zero when the grid in the phase space is refined. To validate the CCM approach the results of DNS coupled with CCM (DNS-CCM) are compared with full DNS that integrates the chemical reaction rates and heat release rate directly in physical space. Good agreement between the results from DNS and DNS-CCM is obtained while the computational time is reduced at least by 70 %.     

A Similarity Subgrid Model for Premixed Turbulent Combustion

The accuracy of large-eddy simulation (LES) of a turbulent premixed Bunsen flame is investigated in this paper. To distinguish between discretization and modeling errors, multiple LES, using different grid sizes h but the same filterwidth Δ, are compared with the direct numerical simulation (DNS). In addition, LES using various values of Δ but the same ratio Δ/h are compared. The chemistry in the LES and DNS is parametrized with the standard steady premixed flamelet for stochiometric methane-air combustion. The subgrid terms are closed with an eddy-viscosity or eddy-diffusivity approach, with an exception of the dominant subgrid term, which is the subgrid part of the chemical source term. The latter subgrid contribution is modeled by a similarity model based upon 2Δ, which is found to be superior to such a model based upon Δ. Using the 2Δ similarity model for the subgrid chemistry the LES produces good results, certainly in view of the fact that the LES is completely wrong if the subgrid chemistry model is omitted. The grid refinements of the LES show that the results for Δ = h do depend on the numerical scheme, much more than for h = Δ/2 and h = Δ/4. Nevertheless, modeling errors and discretization error may partially cancel each other; occasionally the Δ = h results were more accurate than the h ≤ Δ results. Finally, for this flame LES results obtained with the present similarity model are shown to be slightly better than those obtained with standard β-pdf closure for the subgrid chemistry.     

当量比对预混燃烧影响的大涡模拟研究

本文对在突扩燃烧室内甲烷和空气的预混燃烧进行了大涡模拟(LES)研究,考虑预混燃料的当量比对燃烧室提供的动力及产生的污染物的影响．利用LES计算了不同当量比条件下燃烧室内湍流预混燃烧反应流场的温度、浓度、涡量和压力分布,最后对当量比0.5时B点和C点的温度和速度进行EMD分解,得到了温度场和速度场的各阶模态的平均周期．结果表明：随着当量比从0.5增加至0.7,燃烧反应趋于剧烈,燃烧室的最高温度提高了350K,平均压力从32.876 Pa增大到34.833Pa,燃烧产生的瞬态径向最高浓度从0.5%增加到0.95%．     

LES-CMC of a Partially Premixed,Turbulent Dimethyl Ether Jet Diffusion Flame

Large-eddy simulations have been coupled with a conservative formulation of the conditional moment closure (CMC) approach for the computation of a turbulent, partially-premixed dimethyl-ether jet flame. Two different numerical setups and 3 different detailed chemical mechanisms were investigated. The results are compared with measurements of velocity, temperature, and major and intermediate species. The general agreement between simulations and experiments is very good, and differences between the different mechanisms are limited to the predicted concentrations of intermediates only. Larger differences can be observed if the CMC grid size is reduced. This is due to reduced averaging effects on the conditionally averaged dissipation rates that allow to better capture high dissipation events that lead to larger deviations from a fully burning solution. A high CMC resolution provides excellent agreement with experiments throughout the flame and the results demonstrate CMC’s capability to accurately predict turbulence-chemistry interactions in partially-premixed flames involving complex chemistry.     

Towards an Extension of TFC Model of Premixed Turbulent Combustion

In order to determine the mean rate of product creation within the framework of the Turbulent Flame Closure (TFC) model of premixed combustion, the model is combined with a simple closure of turbulent scalar flux developed recently by the present authors based on the flamelet concept of turbulent burning. The model combination is assessed by numerically simulating statistically planar, one-dimensional, developing premixed flames that propagate in frozen turbulence. The mean rate of product creation yielded by the combined model decreases too slowly at the trailing edges of the studied flames, with the effect being more pronounced at longer flame-development times and larger ratios of rms turbulent velocity u′ to laminar flame speed S _L . To resolve the problem, the above closure of turbulent scalar flux is modified and the combination of the modified closure and TFC model yields reasonable behaviour of the studied rate. In particular, simulations indicate an increase in the mean combustion progress variable associated with the maximum rate by u′/S _L , in line with available DNS data. Finally, the modified closure of turbulent scalar flux is validated by computing conditioned velocities and turbulent scalar fluxes in six impinging-jet flames. The use of the TFC model for simulating such flames is advocated.     

Influence of Inlet Dilution of Reactants on Premixed Combustion in a Recuperative Furnace

This paper presents a numerical study by RANS modeling that investigates the effect of external dilution on the premixed combustion occurring in a recuperative furnace. Calculations are performed using the detailed GRI-Mech 3.0 mechanism to ensure the accuracy of the modeling. Results of the in-furnace flow, temperature, and concentrations of OH, O₂, CO₂ and NO _x are provided. It is found that the external dilution with the inert gas CO₂ plays a significant role in establishing the premixed MILD (Moderate or Intense Low-oxygen Dilution) combustion. Externally diluting the reactant mixture not only reduces the initial concentration of O₂ but also ensures a stronger internal dilution by recirculation of more hot combustion products. Importantly, the latter effect is more significant for achieving the MILD regime. There is a critical mass fraction of the diluent CO₂ present, below which MILD combustion cannot occur. While the traditional premixed flame produces much more NO _x than the MILD combustion, the emission of NO _x appears to result most from the thermal-NO route and least from the N₂O route no matter which mode occurs. Moreover, the present simulation demonstrates that the MILD mode occurs over a wider range of initial reactant conditions for premixed combustion than for diffusion combustion.     

Comparison of Combustion Models and Assessment of Their Applicability to the Simulation of Premixed Turbulent Combustion in IC-Engines

In order to simulate the turbulent combustion process occurring in spark-ignition (IC) engines, it is necessary to provide suitable and numerically economical models, the latter being particularly important in the application to industrial problems. Moreover, these models must deliver sufficiently accurate results for the unsteady operation of spark combustion engines, concerning variable geometries, temperatures, pressures and charge development in different configurations. In this work different turbulent combustion models for premixed hydrocarbon combustion are compared with respect to their ability to accurately predict the propagation of turbulent perfectly premixed flames. As a first configuration a cylinder of constant volume was studied. Transient calculations were used to simulate the propagation of the turbulent flame and to evaluate the resulting turbulent burning velocity. These calculations were performed for a perfect mixture of air and hydrocarbons at stoichiometric mixture and different initial conditions concerning pressure, temperature and turbulence intensity. As a second configuration a stationary turbulent bunsen-type flame with methane fuel was used to validate the turbulent combustion model of [Lindstedt and Vaos, Combust. Flame 116 (1999) 461] at different pressures. Calculated results were then compared to experimental data of [Kobayashi, Tamura, Maruta and Niioka. In: Proceedings of the 26th Symposium on Combustion, 1996, p. 389] and show excellent agreement for the turbulent burning velocity at several pressure levels using only a single set of model parameters.     

A Priori Testing of Flamelet Generated Manifolds for Turbulent Partially Premixed Methane/Air Flames

To reduce high computational cost associated with simulations of reacting flows chemistry tabulation methods like the Flamelet Generated Manifold (FGM) method are commonly used. However, H₂, CO and OH predictions in RANS and LES simulations using the FGM (or a similar) method usually show a substantial deviation from measurements. The goal of this study is to assess the accuracy of low-dimensional FGM databases for the prediction of these species in turbulent, partially-premixed reacting flows. It will be examined to what extent turbulent, partially-premixed jet flames can be described by FGM databases based on premixed or counterflow diffusion flamelets and to what extent the chosen molecular transport model for the flamelet influences the accuracy of species mass fraction predictions in CFD-simulations. For LES and RANS applications a model that accounts for subgrid fluctuations has to be added introducing additional errors in numerical results. A priori analysis of FGM databases enables the exclusion of numerical errors (scheme accuracy, convergence) that occur in CFD simulations as well as the exclusion of errors originating from subgrid modeling assumptions in LES and RANS. Four different FGM databases are compared for H₂O, H₂, CO, CO₂ and OH predictions in Sandia Flames C to F. Species mass fractions will be compared to measurements directly and conditioned on mixture fraction. Special attention is paid to the representation of experimentally observed differential diffusion effects by FGM databases.     

Subgrid Scale Modeling in Large-Eddy Simulation of Turbulent Combustion Using Premixed Flamelet Chemistry

Large-eddy simulation (LES) of turbulent combustion with premixed flamelets is investigated in this paper. The approach solves the filtered Navier–Stokes equations supplemented with two transport equations, one for the mixture fraction and another for a progress variable. The LES premixed flamelet approach is tested for two flows: a premixed preheated Bunsen flame and a partially premixed diffusion flame (Sandia Flame D). In the first case, we compare the LES with a direct numerical simulation (DNS). Four non-trivial models for the chemical source term are considered for the Bunsen flame: the standard presumed beta-pdf model, and three new propositions (simpler than the beta-pdf model): the filtered flamelet model, the shift-filter model and the shift-inversion model. A priori and a posteriori tests are performed for these subgrid reaction models. In the present preheated Bunsen flame, the filtered flamelet model gives the best results in a priori tests. The LES tests for the Bunsen flame are limited to a case in which the filter width is only slightly larger than the flame thickness. According to the a posteriori tests the three models (beta-pdf, filtered flamelet and shift-inversion) show more or less the same results as the trivial model, in which subgrid reaction effects are ignored, while the shift-filter model leads to worse results. Since LES needs to resolve the large turbulent eddies, the LES filter width is bounded by a maximum. For the present Bunsen flame this means that the filter width should be of the order of the flame thickness or smaller. In this regime, the effects of subgrid reaction and subgrid flame wrinkling turn out to be quite modest. The LES-results of the second case (Sandia Flame D) are compared to experimental data. Satisfactory agreement is obtained for the main species. Comparison is made between different eddy-viscosity models for the subgrid turbulence, and the Smagorinsky eddy-viscosity is found to give worse results than eddy-viscosities that are not dominated by the mean shear. Paper presented on the Eccomas Thematic Conference Computational Combustion 2007, submitted for a special issue of Flow, Turbulence and Combustion.     

Statistics and Modelling of Turbulent Kinetic Energy Transport in Different Regimes of Premixed Combustion

The statistical behaviour of turbulent kinetic energy transport in turbulent premixed flames is analysed using data from three-dimensional Direct Numerical Simulation (DNS) of freely propagating turbulent premixed flames under decaying turbulence. For flames within the corrugated flamelets regime, it is observed that turbulent kinetic energy is generated within the flame brush. By contrast, for flames within the thin reaction zones regime it has been found that the turbulent kinetic energy decays monotonically through the flame brush. Similar trends are observed also for the dissipation rate of turbulent kinetic energy. Within the corrugated flamelets regime, it is demonstrated that the effects of the mean pressure gradient and pressure dilatation within the flame are sufficient to overcome the effects of viscous dissipation and are responsible for the observed augmentation of turbulent kinetic energy in the flame brush. In the thin reaction zones regime, the effects of the mean pressure gradient and pressure dilatation terms are relatively much weaker than those of viscous dissipation, resulting in a monotonic decay of turbulent kinetic energy across the flame brush. The modelling of the various unclosed terms of the turbulent kinetic energy transport equation has been analysed in detail. The predictions of existing models are compared with corresponding quantities extracted from DNS data. Based on this a-priori DNS assessment, either appropriate models are identified or new models are proposed where necessary. It is shown that the turbulent flux of turbulent kinetic energy exhibits counter-gradient (gradient) transport wherever the turbulent scalar flux is counter-gradient (gradient) in nature. A new model has been proposed for the turbulent flux of turbulent kinetic energy, and is found to capture the qualitative and quantitative behaviour obtained from DNS data for both the corrugated flamelets and thin reaction zones regimes without the need to adjust any of the model constants.     

Noise Correction and Length Scale Estimation for Scalar Dissipation Rate Measurements in Turbulent Partially Premixed Flames

A recently developed conditional sampling-based method for correcting noise effects in scalar dissipation rate measurements and for estimating the extent of resolution of the dissipation rate is employed to analyze the data obtained in turbulent partially premixed (Sandia) flames. The method uses conditional sampling to select instantaneous fully resolved local scalar fields, which are analyzed to determine the measurement noise and to correct the Favre mean, conditional, and conditionally filtered dissipation rates. The potentially under-resolved local scalar fields, also selected using conditional sampling, are corrected for noise and are analyzed to examine the extent of resolution. The error function is used as a model for the potentially under-resolved local scalar to evaluate the scalar dissipation length scales and the percentage of the dissipation resolved. The results show that the Favre mean dissipation rate, the mean dissipation rate conditional on the mixture fraction, and dissipation rate filtered conditionally on the mixture fraction generally are well resolved in the flames. Analyses of the dissipation rates filtered conditionally on the mixture fraction and temperature show that the length scale increases with temperature, due to lower dissipation rate and higher diffusivity. The dissipation rate is well resolved for temperatures above 1,300 K but is less resolved at lower temperatures, although the probability of very low temperature events is low. To fully resolve these rare events the sample spacing needs to be reduced by approximately one half. The present study further demonstrates the effectiveness of the new noise correction and length scale estimation method.     

A Posteriori Assessment of Algebraic Scalar Dissipation Models for RANS Simulation of Premixed Turbulent Combustion

This paper examines the effects of scalar dissipation rate modelling on mean reaction rate predictions in turbulent premixed flames. The sensitivity of the mean reaction rate is explored by using different closures for scalar dissipation and the sensitivity of the scalar dissipation models themselves is also examined with respect to their defining constants. The influence of different scalar dissipation models on the flame location and mean velocities is reported and compared with experimental results. The predicted reaction rate is found to be sensitive to the choice of closure used for scalar dissipation and also to the respective constants used in the scalar dissipation models. It is also found that the scalar dissipation models involving chemical and turbulent time scales yield a more physically plausible reaction rate when compared with the scalar dissipation models relying only on the turbulent time scale.     

Reynolds-Averaged,Scale-Adaptive and Large-Eddy Simulations of Premixed Bluff-Body Combustion Using the Eddy Dissipation Concept

A lean premixed propane/air bluff-body stabilized flame (Volvo test rig) is calculated using the Scale-Adaptive Simulation turbulence model (SAS) and Large-Eddy simulations (LES) as well as the conventional Reynolds-averaged approach (RAS). RAS and SAS are closed by the standard k-?? and the k-ω Shear Stress Transport (SST) turbulence models, respectively. The conventional Smagorinsky and the k-equation sub-grid scales models are used for the LES closure. Effects of the sub-grid scalar flux modeling using the classical gradient hypothesis and Clark’s tensor diffusivity closures both for the inert and reactive LES flows are discussed. The Eddy Dissipation Concept (EDC) is used for the turbulence-chemistry interaction. It assumes that molecular mixing and the subsequent combustion occur in the ’fine structures’ (smaller dissipative eddies, which are close to the Kolmogorov scales). Assuming the full turbulence energy cascade, the characteristic length and velocity scales of the ’fine structures’ are evaluated using different turbulence models (RAS, SAS and LES). The finite-rate chemical kinetics is taken into account by treating the ’fine structures’ as constant pressure and adiabatic homogeneous reactors, calculated as a system of ordinary-differential equations (ODEs) described by a Perfectly Stirred Reactor (PSR) concept. Several further enhancements to model the PSRs are proposed, including a new Livermore Solver (LSODA) for integrating stiff ODEs and a new correction to calculate the PSR time scales. All models have been implemented as a stand-alone application \(\text {edcPisoFoam}\) based on the OpenFOAM technology. Additionally, several RAS calculations were performed using the Turbulence Flame Speed Closure model in Ansys Fluent to assess effects of the heat losses by modeling the conjugate heat transfer between the bluff-body and the reactive flow. Effects of the turbulence Schmidt number on RAS results are discussed as well. Numerical results are compared with available experimental data. Reasonable consistency between experimental data and numerical results provided by RAS, SAS and LES is observed. In general, there is satisfactory agreement between present LES-EDC simulations, numerical results by other authors and measurements without any major modification to the EDC closure constants, which gives a quite reasonable indication on the adequacy and accuracy of the method and its further application for turbulent premixed combustion simulations.     

Towards the Development of an Evolution Equation for Flame Turbulence Interaction in Premixed Turbulent Combustion

Flame turbulence interaction is one of the leading order terms in the scalar dissipation \(\left (\widetilde {\varepsilon }_{c}\right )\) transport equation [35] and is thus an important phenomenon in premixed turbulent combustion. Swaminathan and Grout [36] and Chakraborty and Swaminathan [15, 16] have shown that the effect of strain rate on the transport of \(\widetilde {\varepsilon }_{c}\) is dominated by the interaction between the fluctuating scalar gradients and the fluctuating strain rate, denoted here by \(\overline {\rho }\widetilde {\Delta }_{c}= \overline {\rho {\alpha }\nabla c^{\prime \prime }S_{ij}^{\prime \prime }\nabla c^{\prime \prime }}\) ; this represents the flame turbulence interaction. In order to obtain an accurate representation of this phenomenon, a new evolution equation for \(\widetilde {\Delta }_{c}\) has been proposed. This equation gives a detailed insight into flame turbulence interaction and provides an alternative approach to model the important physics represented by \(\widetilde {\Delta }_{c}\) . The \(\widetilde {\Delta }_{c}\) evolution equation is derived in detail and an order of magnitude analysis is carried out to determine the leading order terms in the \(\widetilde {\Delta }_{c}\) evolution equation. The leading order terms are then studied using a Direct Numerical Simulation (DNS) of premixed turbulent flames in the corrugated flamelet regime. It is found that the behaviour of \(\widetilde {\Delta }_{c}\) is determined by the competition between the source terms (pressure gradient and the reaction rate), diffusion/dissipation processes, turbulent strain rate and the dilatation rate. Closures for the leading order terms in \(\widetilde {\Delta }_{c}\) evolution equation have been proposed and compared with the DNS data.     

Statistical Analysis of Scalar Dissipation Rate Transport in Turbulent Partially Premixed Flames: A Direct Numerical Simulation Study

Statistically planar turbulent premixed and partially premixed flames for different initial turbulence intensities are simulated for global equivalence ratios ??>?=?0.7 and ??>?=?1.0 using three-dimensional Direct Numerical Simulations (DNS) with simplified chemistry. For the simulations of partially premixed flames, a random distribution of equivalence ratio following a bimodal distribution of equivalence ratio is introduced in the unburned reactants ahead of the flame. The simulation parameters in all of the cases were chosen such that the combustion situation belongs to the thin reaction zones regime. The DNS data has been used to analyse the behaviour of the dissipation rate transports of both active and passive scalars (i.e. the fuel mass fraction Y _F and the mixture fraction ξ) in the context of Reynolds Averaged Navier–Stokes (RANS) simulations. The behaviours of the unclosed terms of the Favre averaged scalar dissipation rates of fuel mass fraction and mixture fraction (i.e. \(\widetilde {\varepsilon }_Y =\overline {\rho D\nabla Y_F^{\prime \prime } \cdot \nabla Y_F^{\prime \prime } } /\overline{\rho }\) and \(\widetilde {\varepsilon }_\xi =\overline {\rho D\nabla \xi ^{\prime \prime }\cdot \nabla \xi ^{\prime \prime }} /\overline {\rho })\) transport equations have been analysed in detail. In the case of the \(\widetilde {\varepsilon }_Y \) transport, it has been observed that the turbulent transport term of scalar dissipation rate remains small throughout the flame brush whereas the terms due to density variation, scalar–turbulence interaction, reaction rate and molecular dissipation remain the leading order contributors. The term arising due to density variation remains positive throughout the flame brush and the combined contribution of the reaction and molecular dissipation to the \(\widetilde {\varepsilon }_Y \) transport remains negative throughout the flame brush in all cases. However, the behaviour of scalar–turbulence interaction term of the \(\widetilde {\varepsilon }_Y \) transport equation is significantly affected by the relative strengths of turbulent straining and the straining due to chemical heat release. In the case of the \(\widetilde {\varepsilon }_\xi \) transport, the turbulent transport term remains small throughout the flame brush and the density variation term is found to be negligible in all cases, whilst the reaction rate term is exactly zero. The scalar–turbulence interaction term and molecular dissipation term remain the leading order contributors to the \(\widetilde {\varepsilon }_\xi \) transport throughout the flame brush in all cases that have been analysed in the present study. Performances of existing models for the unclosed terms of the transport equations of \(\widetilde {\varepsilon }_Y \) and \(\widetilde {\varepsilon }_\xi \) are assessed with respect to the corresponding quantities obtained from DNS data. Based on this exercise either suitable models have been identified or new models have been proposed for the accurate closure of the unclosed terms of both \(\widetilde {\varepsilon }_Y \) and \(\widetilde {\varepsilon }_\xi \) transport equations in the context of Reynolds Averaged Navier–Stokes (RANS) simulations.     

Heat Transfer Modeling in the Context of Large Eddy Simulation of Premixed Combustion with Tabulated Chemistry

Tabulated chemistry models like the Flamelet Generated Manifolds method are a good approach to include detailed information on the reaction kinetics in a turbulent flame at reasonable computational costs. However, so far, not all information on e.g. heat losses are contained in these models. As those often appear in typical technical applications with enclosed flames in combustion chambers, extensions to the standard FGM approach will be presented in this paper, allowing for the representation of non-adiabatic boundaries. The enthalpy as additional control variable for the table access is introduced, such that the chemistry database becomes three-dimensional with mixture fraction, reaction progress variable and enthalpy describing the thermo-chemical state. The model presented here is first validated with a two-dimensional enclosed Bunsen flame and then applied within the Large Eddy Simulations of a turbulent premixed swirl flame with a water-cooled bluff body and a turbulent stratified flame, where additional modeling for the flame structure using artificially thickened flames was included. The results are encouraging, as the temperature decrease towards the bluff body in the swirl flame and the cooling of the pilot flame exhaust gases in the stratified configuration can be observed in both experiments and simulation.     

Analysis of the Combined Modelling of Sub-grid Transport and Filtered Flame Propagation for Premixed Turbulent Combustion

Flame surface density (FSD) based reaction rate closure is an important methodology of turbulent premixed flame modelling in the context of Large Eddy Simulations (LES). The transport equation for the Favre-filtered reaction progress variable needs closure of the filtered reaction diffusion imbalance (FRDI) term (i.e. filtered value of combined reaction rate and molecular diffusion rate) and the sub-grid scalar flux (SGSF). A-priori analysis of the FRDI and SGSF terms has in the past revealed advantages and disadvantages of the specific modelling attempts. However, it is important to understand the interaction of the FRDI and SGSF closures for a successful implementation of the FSD based closure. Furthermore, it is not known a-priori if the combination of the best SGSF model with the best FRDI model results in the most suitable overall modelling strategy. In order to address this question, a variety of SGSF models is analysed in this work together with one well established and one recent FRDI closure based on a-priori analysis. It is found that the success of the combined FRDI and SGSF closures depends on subtle details like the co-variances of the FRDI and SGSF terms. It is demonstrated that the gradient hypothesis model is not very successful in representing the SGSF term. However the gradient hypothesis provides satisfactory performance in combination of a recently proposed FRDI closure, whereas unsatisfactory results are obtained when used in combination with another existing closure, which was shown to predict the FRDI term satisfactorily in several previous analyses.