Conditional Source-Term Estimation as a Method for Chemical Closure in Premixed Turbulent Reacting Flow

A Conditional Source-term Estimation (CSE) model is used to close the mean reaction rates for a turbulent premixed flame. A product-based reaction progress variable is introduced as the conditioning variable for the CSE method. Different presumed probability density function (PDF) models are studied and a modified version of a laminar flame-based PDF model is proposed. Improved predictions of the variable distribution are obtained. The conditional means of reactive scalars are evaluated with CSE and compared to the direct numerical simulation (DNS). The mean reaction rates in a turbulent premixed flame are evaluated with the CSE model and the presumed PDFs. Comparison of the CSE closure method to DNS shows promising results. This paper was presented at the 2nd ECCOMAS Thematic Conference on Computational Combustion.     

Resolution Requirements in Stochastic Field Simulation of Turbulent Premixed Flames

The spatial resolution requirements of the Stochastic Fields probability density function approach are investigated in the context of turbulent premixed combustion simulation. The Stochastic Fields approach is an attractive way to implement a transported Probability Density Function modelling framework into Large Eddy Simulations of turbulent combustion. In premixed combustion LES, the numerical grid should resolve flame-like structures that arise from solution of the Stochastic Fields equation. Through analysis of Stochastic Fields simulations of a freely-propagating planar turbulent premixed flame, it is shown that the flame-like structures in the Stochastic Fields simulations can be orders of magnitude narrower than the LES filter length scale. The under-resolution is worst for low Karlovitz number combustion, where the thickness of the Stochastic Fields flame structures is on the order of the laminar flame thickness. The effect of resolution on LES predictions is then assessed by performing LES of a laboratory Bunsen flame and comparing the effect of refining the grid spacing and filter length scale independently. The usual practice of setting the LES filter length scale equal to grid spacing leads to severe under-resolution and numerical thickening of the flame, and to substantial error in the turbulent flame speed. The numerical resolution required for accurate solution of the Stochastic Fields equations is prohibitive for many practical applications involving high-pressure premixed combustion. This motivates development of a Thickened Stochastic Fields approach (Picciani et al. Flow Turbul. Combust. X, YYY (2018) in order to ensure the numerical accuracy of Stochastic Fields simulations.     

Transported PDF Modeling of Ethanol Spray in Hot-Diluted Coflow Flame

This paper presents a numerical modeling study of one ethanol spray flame from the Delft Spray-in-Hot-Coflow (DSHC) database, which has been used to study Moderate or Intense Low-oxygen Dilution (MILD) combustion of liquid fuels (Correia Rodrigues et al. Combust. Flame 162(3), 759–773, 2015). A “Lagrangian-Lagrangian” approach is adopted where both the joint velocity-scalar Probability Density Function (PDF) for the continuous phase and the joint PDF of droplet properties are modeled and solved. The evolution of the gas phase composition is described by a Flamelet Generated Manifold (FGM) and the interaction by exchange with the mean (IEM) micro-mixing model. Effects of finite conductivity on droplet heating and evaporation are accounted for. The inlet boundary conditions starting in the dilute spray region are obtained from the available experimental data together with the results of a calculation of the spray including the dense region using ANSYS Fluent 15. A method is developed to determine a good estimation for the initial droplet temperature. The inclusion of the “1/3” rule for droplet evaporation and dispersion models is shown to be very important. The current modeling approach is capable of accurately predicting main properties, including mean velocity, droplet mean diameter and number density. The gas temperature is under-predicted in the region where the enthalpy loss due to droplet evaporation is important. The flame structure analysis reveals the existence of two heat release regions, respectively having the characteristics of a premixed and a diffusion flame. The experimental and modeled temperature PDFs are compared, highlighting the capabilities and limitations of the proposed 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.     

Analysis of Mixing Models for use in Simulations of Turbulent Spray Combustion

The present study concerns the investigation of different mixing models for use in the transported probability density function (PDF) modeling of turbulent (reacting) spray flows. The modeling of the turbulent mixing and other characteristic scalar variables such as gas enthalpy using transported (joint) PDFs has become an important method to describe turbulent (reacting) spray flows since the evaporation process causes the PDF of the mixture fraction to deviate from the widely used β function, which is typically used in models for turbulent gas flows. In the PDF transport equation, the molecular mixing does not appear in closed form so that modeling strategies are required. For gas combustion, the interaction-by-exchange-with-the-mean (IEM) model, the modified Curl (MC) model, and the Euclidean minimum spanning tree (EMST) models are used. More recently, a new mixing model, the PSP model, which is based on parameterized scalar profiles has been developed. The present study focuses on the use and analysis of the IEM, MC and PSP models for turbulent spray flames. For this purpose, the models are reconsidered with respect to the evaporation process that must be included and evaluated if spray combustion is considered. For model evaluation, turbulent ethanol/air spray flames are simulated, and the results are compared to experimental data by A. Masri, University of Sydney, Australia.     

Numerical Study of Turbulent Jet Ignition in a Lean Premixed Configuration

Direct numerical simulations (DNS) of a hot combustion product jet interacting with a lean premixed hydrogen-air coflow are conducted to fundamentally investigate turbulent jet ignition (TJI) in a three-dimensional configuration. TJI is an efficient method for initiating and controlling combustion in ultra-lean combustion systems. Fully compressible gas dynamics and species equations are solved with high order finite difference methods. The hydrogen-air reaction is simulated with a reliable detailed chemical kinetics mechanism. The physical processes involved in the TJI-assisted combustion are investigated by considering the flame heat release, temperature, species concentrations, vorticity, and Baroclinc torque. The complex turbulent flame and flow structures are delineated in three main: i) hot product jet, ii) burned-mixed, and iii) flame zones. In the TJI-assisted combustion, the flow structures and the flame features such as flame speed, temperature, and species distribution are found to be quite different than those in “standard” turbulent premixed combustion due to the existence of a high energy turbulent hot product jet. The flow structures and statistics are also found to be different than those normally seen in non-isothermal non-reacting jets.     

A DNS Study of Closure Relations for Convection Flux Term in Transport Equation for Mean Reaction Rate in Turbulent Flow

The present work aims at modeling the entire convection flux \(\overline {\rho \mathbf {u}W}\) in the transport equation for a mean reaction rate \(\overline {\rho W}\) in a turbulent flow, which (equation) was recently put forward by the present authors. In order to model the flux, several simple closure relations are developed by introducing flow velocity conditioned to reaction zone and interpolating this velocity between two limit expressions suggested for the leading and trailing edges of the mean flame brush. Subsequently, the proposed simple closure relations for \(\overline {\rho \mathbf {u}W}\) are assessed by processing two sets of data obtained in earlier 3D Direct Numerical Simulation (DNS) studies of adiabatic, statistically planar, turbulent, premixed, single-step-chemistry flames characterized by unity Lewis number. One dataset consists of three cases characterized by different density ratios and is associated with the flamelet regime of premixed turbulent combustion. Another dataset consists of four cases characterized by different low Damköhler and large Karlovitz numbers. Accordingly, this dataset is associated with the thin reaction zone regime of premixed turbulent combustion. Under conditions of the former DNS, difference in the entire, \(\overline {\rho {u}W}\), and mean, \(\tilde {u}\overline {\rho W}\), convection fluxes is well pronounced, with the turbulent flux, \(\overline {\rho u^{\prime \prime }W^{\prime \prime }}\), showing countergradient behavior in a large part of the mean flame brush. Accordingly, the gradient diffusion closure of the turbulent flux is not valid under such conditions, but some proposed simple closure relations allow us to predict the entire flux \(\overline {\rho \mathbf {u}W}\) reasonably well. Under conditions of the latter DNS, the difference in the entire and mean convection fluxes is less pronounced, with the aforementioned simple closure relations still resulting in sufficiently good agreement with the DNS data.     

LES/PDF Modeling of Turbulent Premixed Flames with Locally Enhanced Mixing by Reaction

Large-eddy simulations (LES) combined with the transported probability density function (PDF) method are carried out for two turbulent piloted premixed methane-air jet flames (flame F1 and flame F3) to assess the capability of LES/PDF for turbulent premixed combustion. The conventionally used model for the sub-filter scale mixing time-scale (or the mixing frequency) fails to capture the premixed flames correctly. This failure is expected to be caused by the lack of the sub-filter scale premixed flame propagation property in the sub-filter scale mixing process when the local flame front is under-resolved. It leads to slower turbulent premixed flame propagation and wider flame front. A new model for specifying the sub-filter scale mixing frequency is developed to account for the effect of sub-filter scale chemical reaction on mixing, based on past development of models for the sub-filter scale scalar dissipation rate in premixed combustion. The new model is assessed in the two turbulent premixed jet flames F1 and F3. Parametric studies are performed to examine the new model and its sensitivity when combined with the different mixing models. Significantly improved performance of the new mixing frequency model is observed to capture the premixed flame propagation reasonably, when compared with the conventional model. The sensitivity of the flame predictions is found be relatively weak to the different mixing models in conjunction with the new mixing frequency model.     

Direct numerical simulation of turbulent mixing of a passive scalar in pipe flow

Turbulent mixing of a passive scalar in fully developed turbulent pipe flow has been investigated by means of a Direct Numerical Simulation (DNS). The scalar is released from a point source located on the centreline of the pipe. The domain size of the concentration field has been chosen large enough to capture the different stages of turbulent mixing. Results are presented for mean concentration profiles, turbulent fluxes, concentration fluctuations, probability density functions and higher-order moments. To validate the numerical simulations the results are compared with experimental data on mixing in grid-turbulence that have been reported in the literature. The agreement between the experimental measurements and the computations is satisfactory. We have also considered the Probability Density Function (PDF). For small diffusion times and positions not on the plume centreline, our results lead to a PDF of an exponential form with a large peak at zero concentration. When the diffusion time increases, the PDF shifts from a exponential to a more Gaussian form.     

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.     

Effects of Lewis Number on Head on Quenching of Turbulent Premixed Flames: A Direct Numerical Simulation Analysis

The head on quenching of statistically planar turbulent premixed flames by an isothermal inert wall has been analysed using three-dimensional Direct Numerical Simulation (DNS) data for different values of global Lewis number Le(0.8, 1.0 and 1.2) and turbulent Reynolds number Re_t. The statistics of head on quenching have been analysed in terms of the wall Peclet number Pe (i.e. distance of the flame from the wall normalised by the Zel’dovich flame thickness) and the normalised wall heat flux Φ. It has been found that the maximum (minimum) value of Φ(Pe) for the turbulent Le=0.8 cases are greater (smaller) than the corresponding laminar value, whereas both Pe and Φ in turbulent cases remain comparable to the corresponding laminar values for Le=1.0 and 1.2. Detailed physical explanations are provided for the observed Le dependences of Pe and Φ. The existing closure of mean reaction rate \(\overline {\dot {\omega }}\) using the scalar dissipation rate (SDR) in the near wall region has been assessed based on a-priori analysis of DNS data and modifications to the existing closures of mean reaction rate and SDR have been suggested to account for the wall effects in such a manner that the modified closures perform well both near to and away from the wall.     

Modeling of Turbulent Natural Gas and Biogas Flames of the Delft Jet-in-Hot-Coflow Burner: Effects of Coflow Temperature,Fuel Temperature and Fuel Composition on the Flame Lift-Off Height

The structure of a turbulent non-premixed flame of a biogas fuel in a hot and diluted coflow mimicking moderate and intense low dilution (MILD) combustion is studied numerically. Biogas fuel is obtained by dilution of Dutch natural gas (DNG) with CO₂. The results of biogas combustion are compared with those of DNG combustion in the Delft Jet-in-Hot-Coflow (DJHC) burner. New experimental measurements of lift-off height and of velocity and temperature statistics have been made to provide a database for evaluating the capability of numerical methods in predicting the flame structure. Compared to the lift-off height of the DNG flame, addition of 30 % carbon dioxide to the fuel increases the lift-off height by less than 15 %. Numerical simulations are conducted by solving the RANS equations using Reynolds stress model (RSM) as turbulence model in combination with EDC (Eddy Dissipation Concept) and transported probability density function (PDF) as turbulence-chemistry interaction models. The DRM19 reduced mechanism is used as chemical kinetics with the EDC model. A tabulated chemistry model based on the Flamelet Generated Manifold (FGM) is adopted in the PDF method. The table describes a non-adiabatic three stream mixing problem between fuel, coflow and ambient air based on igniting counterflow diffusion flamelets. The results show that the EDC/DRM19 and PDF/FGM models predict the experimentally observed decreasing trend of lift-off height with increase of the coflow temperature. Although more detailed chemistry is used with EDC, the temperature fluctuations at the coflow inlet (approximately 100K) cannot be included resulting in a significant overprediction of the flame temperature. Only the PDF modeling results with temperature fluctuations predict the correct mean temperature profiles of the biogas case and compare well with the experimental temperature distributions.     

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.     

Consistent Behavior of Eulerian Monte Carlo fields at Low Reynolds Numbers

A slightly different version of the Eulerian Monte Carlo method (EMC) (Valiño, Flow Turbul. Combust. 60, 157–172, (1998)) is presented in this paper. The EMC method is an effective stochastic numerical approach to solve the Probability Density Function (PDF) of reacting species in turbulent flows. In contrast with the original formulation, the spurious Wiener term associated with the molecular diffusion is removed, by splitting the micro-mixing into mean gradient and fluctuating contributions. The evolution of the EMC fields representing the PDF in the proposed formulation is then consistent in the laminar limit: the EMC fields follow the same standard convection-diffusion equation, without any stochastic terms.     

DNS of premixed turbulent V-flame: coupling spectral and finite difference methods

To allow for a reliable examination of the interaction between velocity fluctuations, acoustics and combustion, a novel numerical procedure is discussed in which a spectral solution of the Navier–Stokes equations is directly associated to a high-order finite difference fully compressible DNS solver (sixth order PADE). Using this combination of high-order solvers with accurate boundary conditions, simulations have been performed where a turbulent premixed V-shape flame develops in grid turbulence. In the light of the DNS results, a sub-model for premixed turbulent combustion is analyzed. To cite this article: R. Hauguel et al., C. R. Mecanique 333 (2005).     

A Comprehensive Study of Effects of Mixing and Chemical Kinetic Models on Predictions of n-heptane Jet Ignitions with the PDF Method

The composition Probability Density Function (PDF) model is coupled with a Reynolds-averaged k???ε turbulence model and three computationally efficient, yet widely used chemical mechanisms to simulate transient n-heptane spray injection and ignition in a high temperature and high density ambient fluid. Molecular diffusion is modelled by three mixing models, namely the interaction by exchange with the mean (IEM), modified Curl (MC) and Euclidean minimum spanning trees (EMST) models. The liquid phase is modelled by a discrete phase model (DPM). This represents among the first applications of the PDF method in practical diesel engine conditions. A non-reacting case is first considered, with the focus on the ability of the model to capture the spray structure, e.g., vapour penetration and liquid length, fuel mixture fraction and its variance. Reacting cases are then investigated to compare and evaluate the three different chemical mechanisms and the three mixing models. It is concluded that the EMST mixing model in conjunction with a reduced chemical kinetic model (Lu et al., Combust Flame 156(8):1542–1551, 2009) performs the best among the options considered. The sensitivity of the results to the choice of the mixing constant is also studied to understand its effect on the flame ignition and stabilisation. Finally, the PDF model is compared to a well-mixed model that assumes turbulent fluctuations are negligible, which has been widely used in the diesel spray combustion community. Significant structural differences in the modelled flame are revealed comparing the PDF method with the well-mixed model. Quantitatively, the PDF model exhibits excellent agreement with the measurements and shows much better results than the well-mixed model in all ambient O₂ and temperature conditions.     

A Lagrangian-based flame index for the transported probability density function method

We propose a new flame index for the transported probability density function(PDF) method. The flame index uses mixing flux projections of Lagrangian particles on mixture fraction and progress variable directions as the metrics to identify the combustion mode, with the Burke-Schumann solution as a reference. A priori validation of the flame index is conducted with a series of constructed turbulent partially premixed reactors. It indicates that the proposed flame index is able to identify the combustion mode based on the subgrid mixing information. The flame index is then applied the large eddy simulation/PDF datasets of turbulent partially premixed jet flames. Results show that the flame index separate different combustion modes and extinction correctly. The proposed flame index provides a promising tool to analyze and model the partially premixed flames adaptively.     

Flow Structure of Lifted Swirling Jet Flames

Swirling combustion is widely applied in various applications such as gas turbines, utility boilersor waste incinerators. This article contributes to the ongoing research by providing experimentaldata that are gathered in the mixing zone of a lifted swirling premixed natural gas flame. Theobjective of this paper is fivefold: (1) to introduce the lifted swirling flame featuring lowNO _x emissions (2) to provide experimental data such as major species distributions, temperature and streamlines of the flow pattern, (3) to report on velocity bias in probability density function (PDF) distributions and to present PDF sequences of velocities in medium scale swirling flows, (4) to make an assessment on the local small-scale turbulence that is present in the swirling mixinglayer and (5) to provide new experimental data for model verification and development.The PDFs are corrected in order to compensate for the velocity bias phenomenon, which is typicalfor randomly sampled LDA data. Sequences of axial PDF data are presented and measurement locationsof interest are selected to look at the PDF characteristics of the internal and externalrecirculation zones, the mixing layer and the onset of the reacting flow into detail. The mixinglayer PDFs covered a wide velocity range and revealed bimodality; even the concept ofmulti-modality is suggested and explored. Analysis showed that a sum of two Gaussian distributionscan accurately envelop the experimental PDFs. The reason for this broadband turbulence behavior isto be found in combination of precessing and flapping motion of the flow structures, and also incombustion generated instabilities of the lifted flame. As a result, the flame brush is wide (largescale motion) and the mixing (small-scale turbulence) flattens any high temperatures in thecombustion process.The multi-scale turbulence concept is subsequently used to make anassessment of the local turbulence characteristics in the mixing layer.The idea is that the PDFs capture both contributions of the flow-inherent fine grain turbulence (u _l ) which is superposed on slowlarge scale fluctuating structures. It is this u _l that will be of interest in continued research on the classification of the lifted flame into acombustion regime diagram (e.g. Borghi diagram). Finally, the bimodalitycharacter in reacting flows and the prediction of large-scale structuresmay be a challenge for LES researchers.     

Presumed Mapping Functions for Eulerian Modelling of Turbulent Mixing

The mapping closure of Chen et al. [Phys. Rev. Lett., 63, 1989] is a transported probability density function (PDF) method that has proven very efficient for modelling of turbulent mixing in homogeneous turbulence. By utilizing a Gaussian reference field, the solution to the mapping function (in homogeneous turbulence) can be found analytically for a range of initial conditions common for turbulent combustion applications, e.g. for binary or trinary mixing. The purpose of this paper is to investigate the possibility of making this solution a presumed mapping function (PMF) for inhomogeneous flows. The PMF in turn will imply a presumed mixture fraction PDF that can be used for a wide range of models in turbulent combustion, e.g. flamelet models, the conditional moment closure (CMC) or large eddy simulations. The true novelty of the paper, though, is in the derivation of highly efficient, closed algebraic expressions for several existing models of conditional statistics, e.g. for the conditional scalar dissipation/diffusion rate or the conditional mean velocity. The closed form expressions nearly eliminates the overhead computational cost that usually is associated with nonlinear models for conditional statistics. In this respect it is argued that the PMF is particularly well suited for CMC that relies heavily on manipulations of the PDF for consistency. The accuracy of the PMF approach is shown with comparison to DNS of a single scalar mixing layer to be better than for the β-PDF. Not only in the shape of the PDF itself, but also for all conditional statistics models computed from the PDF.