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.     

A-Priori Validation of Scalar Dissipation Rate Models for Turbulent Non-Premixed Flames

The modelling of scalar dissipation rate in conditional methods for large-eddy simulations is investigated based on a priori direct numerical simulation analysis using a dataset representing an igniting non-premixed planar jet flame. The main objective is to provide a comprehensive assessment of models typically used for large-eddy simulations of non-premixed turbulent flames with the Conditional Moment Closure combustion model. The linear relaxation model gives a good estimate of the Favre-filtered scalar dissipation rate throughout the ignition with a value of the related constant close to the one deduced from theoretical arguments. Such value of the constant is one order of magnitude higher than typical values used in Reynolds-averaged approaches. The amplitude mapping closure model provides a satisfactory estimate of the conditionally filtered scalar dissipation rate even in flows characterised by shear driven turbulence and strong density variation.

     

Evaluations of SGS Combustion,Scalar Flux and Stress Models in a Turbulent Jet Premixed Flame

A newly developed fractal dynamic SGS (FDSGS) combustion model and a scale self-recognition mixed (SSRM) SGS stress model are evaluated along with other SGS combustion, scalar flux and stress models in a priori and a posteriori manners using DNS data of a hydrogen-air turbulent plane jet premixed flame. A posteriori tests reveal that the LES using the FDSGS combustion model can predict the combustion field well in terms of mean temperature distributions and peak positions in the transverse distributions of filtered reaction progress variable fluctuations. A priori and a posteriori tests of the scalar flux models show that a model proposed by Clark et al. accurately predicts the counter-gradient transport as well as the gradient diffusion, and introduction of the model of Clark et al. into the LES yields slightly better predictions of the filtered progress variable fluctuations than that of a gradient diffusion model. Evaluations of the stress models reveal that the LES with the SSRM model predicts the velocity fluctuations well compared to that with the Smagorinsky model.     

Scalar Dissipation Rate Transport in the Context of Large Eddy Simulations for Turbulent Premixed Flames with Non-Unity Lewis Number

The effects of global Lewis number Le on the statistical behaviour of the unclosed terms in the transport equation of the Favre-filtered scalar dissipation rate (SDR) Ñ _c have been analysed using a Direct Numerical Simulation (DNS) database of freely propagating statistically planer turbulent premixed flames with Le ranging from 0.34 to 1.2. The DNS data has been explicitly filtered to analyse the statistical behaviour of the unclosed terms in the SDR transport equation arising from turbulent transport T ₁, density variation due to heat release T ₂, scalar-turbulence interaction T ₃, reaction rate gradient T ₄, molecular dissipation (?D ₂) and diffusivity gradients f(D) in the context of Large Eddy Simulations (LES). It Le has significant effects on the magnitudes of T ₁, T ₂, T ₃, T ₄, (?D ₂) and f(D). Moreover, both qualitative and quantitative behaviours of the unclosed terms T ₁, T ₂, T ₃, T ₄, (?D ₂) and f(D) are found to be significantly affected by the LES filter width Δ, which have been explained based on a detailed scaling analysis. Both scaling analysis and DNS data suggest that T ₂, T ₃, T ₄, (?D ₂) and f(D) remain leading order contributors to the SDR \(\tilde {{N}}_{c} \) transport for LES. The scaling estimates of leading order contributors to the SDR \(\tilde {{N}}_{c} \) transport has been utilised to discuss the possibility of extending an existing SDR model for Reynolds Averaged Navier Stokes (RANS) simulation for SDR \(\tilde {{N}}_{c} \) closure in the context of LES of turbulent premixed combustion.     

Large Eddy Simulation of Premixed Turbulent Flames Using the Probability Density Function Approach

In the present study a Large Eddy Simulation and Filtered Density Function model is applied to three premixed piloted turbulent methane flames at different Reynolds Numbers using the Eulerian stochastic fields approach. The model is able to reproduce the flame structure and flow characteristics with a low number of fields (between 4 and 16 fields). The results show a good agreement with experimental data with the same closures employed in non-premixed combustion without any adjustment for combustion regime. The effect of heat release on the flow field is captured correctly. A wide range of sensitivity studies is carried out, including the number of fields, the chemical mechanism, differential diffusion effects and micro-mixing closures. The present work shows that premixed combustion (at least in the conditions under study) can be modelled using LES-PDF methods.. Finally, the ability of the model to predict flame quenching is studied. The model can accurate capture the conditions at which combustion is not sustainable and large pockets of extinction appear.     

Vortex-In-Cell and Probability Density Function Approach for a Passive Scalar Field in a Mixing Layer

A Reynolds-averaged simulation based on the vortex-in-cell (VIC) and the transport equation for the probability density function (PDF) of a scalar has been developed to predict the passive scalar field in a two-dimensional spatially growing mixing layer. The VIC computes the instantaneous velocity and vorticity fields. Then the mean-flow properties, i.e. the mean velocity, the root-mean-square (rms) longitudinal and lateral velocity fluctuations, the Reynolds shear stress, and the rms vorticity fluctuations are computed and used as input to the PDF equation. The PDF transport equation is solved using the Monte Carlo technique. The convection term uses the mean velocities from the VIC. The turbulent diffusion term is modeled using the gradient transport model, in which the eddy diffusivity, computed via the Boussinesq's postulate, uses the Reynolds shear stress and gradients of mean velocities from the VIC. The molecular mixing term is closed by the modified Curl model.

The computational results were compared with two-dimensional experimental results for passive scalar. The predicted turbulent flow characteristics, i.e. mean velocity and rms longitudinal fluctuations in the self-preserving region, show good agreement with the experimental measurements. The profiles of the mean scalar and the rms scalar fluctuations are also in reasonable agreement with the experimental measurements. Comparison between the mean scalar and the mean velocity profiles shows that the scalar mixing region extends further into the free stream than does the momentum mixing region, indicating enhanced transport of scalar over momentum. The rms scalar profiles exhibit an asymmetry relative to the concentration centerline, and indicate that the fluid on the high-speed side mixes at a faster rate than the fluid on the low-speed side. The asymmetry is due to the asymmetry in the mixing frequency cross-stream profiles. Also, the PDFs have peaks biased toward the high-speed side.     

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.     

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.     

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

Statistically planar turbulent partially premixed flames for different initial intensities of decaying turbulence have been simulated for global equivalence ratios <????> = 0.7 and <????> = 1.0 using three-dimensional simplified chemistry based Direct Numerical Simulations (DNS). The simulation parameters are chosen such that the combustion situation belongs to the thin reaction zones regime and a random bi-modal distribution of equivalence ratio ?? is introduced in the unburned gas ahead of the flame to account for mixture inhomogeneity. The DNS data has been used to analyse the statistical behaviour of the transport of the cross-scalar dissipation rate based on the fuel mass fraction Y _F and the mixture fraction ?? fluctuations $\,\tilde{\varepsilon}_{Y\xi}={\overline{\rho D\nabla Y_{F}^{\prime\prime}.\nabla \xi^{\prime\prime}} } \big/ {\bar {\rho }}$ (where $\bar{q}$ , $\tilde{q}={\overline{\rho q} } \big/ {\bar {\rho }}$ and $q^{\prime\prime} =q-\tilde {q}$ are Reynolds average, Favre mean and Favre fluctuation of a general quantity q) in the context of Reynolds Averaged Navier?CStokes simulations where ?? is the gas density and D is the gas diffusivity. The statistical behaviours of the unclosed terms in the $\tilde{\varepsilon }_{Y\xi } $ transport equation originating from turbulent transport T ₁, density variation T ₂, scalar?Cturbulence interaction T ₃, chemical reaction rate T ₄ and the molecular dissipation rate D ₂ have been analysed in detail. It has been observed that the contributions of T ₂, T ₃, T ₄ and D ₂ play important roles in the $\tilde{\varepsilon }_{Y\xi } $ transport for the globally stoichiometric cases, but in the globally fuel-lean cases the contributions of T ₂ and T ₄ become relatively weaker in comparison to the contributions of T ₃ and D ₂. The term T ₁ remains small in comparison to the leading order contributions of T ₃ and D ₂ for all cases, but the contribution of T ₁ plays a more important role in the low Damköhler combustion cases. The term T ₂ behaves as a sink term towards the unburned gas side but becomes a source term towards the burned gas side. The scalar?Cturbulence interaction term T ₃ has been found to be generally positive throughout the flame brush, but in globally stoichiometric cases the contribution of T ₃ becomes negative in regions of intense heat release. The combined contribution of (T ₄ ?C D ₂) remains mostly as a sink in all cases studied here. Models are proposed for the unclosed terms of the $\tilde{\varepsilon }_{Y\xi } $ transport equation in the context of Reynolds Averaged Navier?CStokes simulations, which are shown to satisfactorily predict the corresponding quantities extracted from the DNS data for all cases.     

The Scalar Gradient Alignment Statistics of Flame Kernels and its Modelling Implications for Turbulent Premixed Combustion

The effects of mean flame curvature on reaction progress variable gradient, $\nabla c$ , alignment with local turbulent strain rate are studied based on three-dimensional Direct Numerical Simulation (DNS) data of turbulent premixed flame kernels with different initial radii under decaying turbulence. A statistically planar flame is also considered in order to compare the results obtained from the kernels with a flame of zero mean curvature. It is found that the dilatation rate effects diminish with decreasing kernel radius due to defocusing of heat in the positively curved regions. This gives rise to a decrease in the extent of reaction progress variable gradient alignment with most extensive principal strain rate with decreasing kernel radius. The modelling implications of the statistics of the alignment of $\nabla c$ with local strain rate have been studied in terms of scalar dissipation rate transport. A new modelling methodology for the contribution of the scalar-turbulence interaction term in the transport equation for the mean scalar dissipation is suggested addressing the reduced effects of dilatation rate for flame kernels and the diminished value of turbulent straining at the small length scales at which turbulence interacts with small flame kernels. The performance of the new models is found to be satisfactory while comparing to DNS results. The existing models for the dilatation contribution and the combined chemical reaction and molecular dissipation contributions to the transport of mean scalar dissipation, which were originally proposed for statistically planar flames, are found to satisfactorily predict the corresponding quantities for turbulent flame kernels.     

A Field Monte Carlo Formulation for Calculating the Probability Density Function of a Single Scalar in a Turbulent Flow

The probability density function (PDF) formulation of one scalar field undergoing diffusion, turbulent convection and chemical reaction is restated in terms of stochastic fields. These fields are smooth in space as they have a length scale similar to that of the PDF. Their evolution is described by a set of stochastic partial differential equations, which are solved using a finite volume scheme with a stochastic source term. The application of this methodology to a particular flow is shown first for a linear source term, with exact analytical solution for the mean and standard deviation, and then for a nonlinear reaction.     

Modelling Turbulent Premixed Combustion Using the Level Set Approach for Reynolds Averaged Models

A model for premixed turbulent combustion is investigated using a RANS-approach. The evolution of the flame front is described in terms of the G-equation. The numerical instabilities of the G-field are resolved using a reinitialisation procedure. For the G-points near the flame surface an algorithm proposed by Russo and Smereka [1] and modificated by Düsing [2] is presented. For all other points the standard Sussman algorithm is employed. Fluid properties are conditioned on the flame front position using a burnt-unburnt probability function across the flame front. Computations are performed using the code FASTEST-3D [3] which is a flow solver for a non-orthogonal, block-structured grid. The computational examples include two test cases, the first containing the propagation of two circular merging flames and the second one containing the simulation of the ORACLES-burner [4].     

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 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.     

DNS and Modelling of Passive Scalar Transport in Turbulent Channel Flow with a Focus on Scalar Dissipation Rate Modelling

A direct numerical simulation of turbulent channel flow with an imposed mean scalar gradient is analyzed with a focus on passive scalar flux modelling and in particular the treatment of the passive scalar dissipation equation. The Prandtl number is 0.71 and the Reynolds number based on the wall friction velocity and the channel half width is 265. Budgets are presented for the passive scalar variance and its dissipation rate, as well as for the individual scalar flux components. These form a basis for a discussion of modelling issues related to explicit algebraic scalar flux modelling. This revised version was published online in July 2006 with corrections to the Cover Date.     

Predicting Buoyant Shear Flows Using Anisotropic Dissipation Rate Models

This paper examines the modeling of two-dimensional homogeneous stratified turbulent shear flows using the Reynolds-stress and Reynolds-heat-flux equations. Several closure models have been investigated; the emphasis is placed on assessing the effect of modeling the dissipation rate tensor in the Reynolds-stress equation. Three different approaches are considered; one is an isotropic approach while the other two are anisotropic approaches. The isotropic approach is based on Kolmogorov's hypothesis and a dissipation rate equation modified to account for vortex stretching. One of the anisotropic approaches is based on an algebraic representation of the dissipation rate tensor, while another relies on solving a modeled transport equation for this tensor. In addition, within the former anisotropic approach, two different algebraic representations are examined; one is a function of the Reynolds-stress anisotropy tensor, and the other is a function of the mean velocity gradients. The performance of these closure models is evaluated against experimental and direct numerical simulation data of pure shear flows, pure buoyant flows and buoyant shear flows. Calculations have been carried out over a range of Richardson numbers (Ri) and two different Prandtl numbers (Pr); thus the effect of Pr on the development of counter-gradient heat flux in a stratified shear flow can be assessed. At low Ri, the isotropic model performs well in the predictions of stratified shear flows; however, its performance deteriorates as Ri increases. At high Ri, the transport equation model for the dissipation rate tensor gives the best result. Furthermore, the results also lend credence to the algebraic dissipation rate model based on the Reynolds stress anisotropy tensor. Finally, it is found that Pr has an effect on the development of counter-gradient heat flux. The calculations show that, under the action of shear, counter-gradient heat flux does not occur even at Ri = 1 in an air flow. This revised version was published online in July 2006 with corrections to the Cover Date.     

A Probability Density Function Method for Modelling Liquid Fuel Sprays

A stochastic model is proposed for modelling the turbulent dispersion of liquid fuel sprays. The approach adopted is based on the evolution equation for the joint probability density function (PDF) of the droplet properties. Turbulent dispersion is described by Langevin's equation in which a Weiner process is used to represent the stochastic force term. The method leads to plausible results when applied to a kerosene spray flame and provides a rational framework for the incorporation of liquid film break up and droplet formation processes. This revised version was published online in July 2006 with corrections to the Cover Date.     

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.