Large eddy simulation of turbulent combustion systems

This paper reviews recent and ongoing work on numerical models for turbulent combustion systems based on a classical LES approach. The work is confined to single-phase reacting flows. First, important physico-chemical features of combustion-LES are discussed along with several aspects of overall LES models. Subsequently, some numerical issues, in particular questions associated with the reliability of LES results, are outlined. The details of chemistry, its reduction, and tabulation are not addressed here. Second, two illustrative applications dealing with non-premixed and premixed flame configurations are presented. The results show that combustion-LES is able to provide predictions very close to measured data for configurations where the flow is governed by large turbulent structures. To meet the future demands, new key challenges in specific modelling areas are suggested, and opportunities for advancements in combustion-LES techniques are highlighted. From a predictive point of view, the main target must be to provide a reliable method to aid combustion safety studies and the design of combustion systems of practical importance.     

Large eddy simulation of piloted pulverised coal combustion using extended flamelet/progress variable model

An extended flamelet/progress variable (EFPV) model for simulating pulverised coal combustion (PCC) in the context of large eddy simulation (LES) is proposed, in which devolatilisation, char surface reaction and radiation are all taken into account. The pulverised coal particles are tracked in the Lagrangian framework with various sub-models and the sub-grid scale (SGS) effects of turbulent velocity and scalar fluctuations on the coal particles are modelled by the velocity-scalar joint filtered density function (VSJFDF) model. The presented model is then evaluated by LES of an experimental piloted coal jet flame and comparing the numerical results with the experimental data and the results from the eddy break up (EBU) model. Detailed quantitative comparisons are carried out. It is found that the proposed model performs much better than the EBU model on radial velocity and species concentrations predictions. Comparing against the adiabatic counterpart, we find that the predicted temperature is evidently lowered and agrees well with the experimental data if the conditional sampling method is adopted.     

Assessing multi-regime combustion in a novel burner configuration with large eddy simulations using tabulated chemistry

Recent investigations on a novel multi-regime burner (MRB) configuration showed significant deviations in the CO flame structure compared to the limiting cases of premixed and non-premixed flames. However, a prior analysis revealed that major species and temperature are captured by both limiting cases (Butz et al., Combust. Flame, 2019 [1]). In the present work, large eddy simulations using an artificial thickened flame approach and tabulated chemistry are performed for the MRB configuration. Simulation results are compared to experimental Raman/Rayleigh/CO-LIF and PIV measurements, confirming the applicability of the modeling approach. Further, simulation results are consistent with the aforementioned prior analysis. Special attention is paid to predicting CO by analyzing the conditional flame structure and the effects of local residence time. This combined CO and residence time analysis reveals that local convective and diffusive transport processes should be resolved simultaneously with the unsteady flow, instead of being tabulated. Substantial improvements in CO are achieved when local transport is considered.     

Capturing multi-regime combustion in turbulent flames with a virtual chemistry approach

Multiple flame regimes are encountered in industrial combustion chambers, where premixed, stratified and non-premixed flame regions may coexist. To obtain a predictive tool for pollutant formation predictions, chemical flame modeling must take into account the influence of such complex flame structure. The objective of this article is to apply and compare two reduced chemistry models on both laminar and turbulent multi-regime flame configurations in order to analyze their capabilities in predicting flame structure and CO formation. The challenged approaches are (i) a premixed flamelet-based tabulated chemistry method, whose thermochemical variables are parameterized by a mixture fraction and a progress variable, and (ii) a virtual chemical scheme which has been optimized to retrieve the properties of canonical premixed and non-premixed 1-D laminar flames. The methods are first applied to compute a series of laminar partially-premixed methane-air counterflow flames. Results are compared to detailed chemistry simulations. Both approaches reproduced the thermal flame structure but only the virtual chemistry captures the CO formation in all ranges of equivalence ratio from stoichiometry premixed flame to pure non-premixed flame. Finally, the two chemical models combined with the Thickened Flame model for LES are challenged on a piloted turbulent jet flame with inhomogeneous inlet, the Sydney inhomogeneous burner. Mean and RMS of temperature and CO mass fraction radial profiles are compared to available experimental data. Scatter data in mixture fraction space and Wasserstein metric of numerical and experimental data are also studied. The analyses confirm again that the virtual chemistry approach is able to account for the impact of multi-regime turbulent combustion on the CO formation.     

Large eddy simulation of the low temperature ignition and combustion processes on spray flame with the linear eddy model

Large eddy simulation coupled with the linear eddy model (LEM) is employed for the simulation of n-heptane spray flames to investigate the low temperature ignition and combustion process in a constant-volume combustion vessel under diesel-engine relevant conditions. Parametric studies are performed to give a comprehensive understanding of the ignition processes. The non-reacting case is firstly carried out to validate the present model by comparing the predicted results with the experimental data from the Engine Combustion Network (ECN). Good agreements are observed in terms of liquid and vapour penetration length, as well as the mixture fraction distributions at different times and different axial locations. For the reacting cases, the flame index was introduced to distinguish between the premixed and non-premixed combustion. A reaction region (RR) parameter is used to investigate the ignition and combustion characteristics, and to distinguish the different combustion stages. Results show that the two-stage combustion process can be identified in spray flames, and different ignition positions in the mixture fraction versus RR space are well described at low and high initial ambient temperatures. At an initial condition of 850 K, the first-stage ignition is initiated at the fuel-lean region, followed by the reactions in fuel-rich regions. Then high-temperature reaction occurs mainly at the places with mixture concentration around stoichiometric mixture fraction. While at an initial temperature of 1000 K, the first-stage ignition occurs at the fuel-rich region first, then it moves towards fuel-richer region. Afterwards, the high-temperature reactions move back to the stoichiometric mixture fraction region. For all of the initial temperatures considered, high-temperature ignition kernels are initiated at the regions richer than stoichiometric mixture fraction. By increasing the initial ambient temperature, the high-temperature ignition kernels move towards richer mixture regions. And after the spray flames gets quasi-steady, most heat is released at the stoichiometric mixture fraction regions. In addition, combustion mode analysis based on key intermediate species illustrates three-mode combustion processes in diesel spray flames.     

Large eddy simulation of Cambridge bluff-body coal (CCB2) flames with a flamelet progress variable model

In the present study, we report the first large eddy simulation (LES) study of the Cambridge CCB2 coal flames, one of the target flames in the Workshop on Measurement and Simulation of Coal and Biomass Conversion, with an extended flamelet progress variable (FPV) model. The extended FPV model is based on two mixture fractions considering the volatiles and char off-gases. The normalized total enthalpy is used for the interphase heat transfer modelling. Turbulence-chemistry interaction is treated with an assumed probability density function approach. The results show that the present LES can generally capture the flow field and particle distribution, while there are considerable deviations in the OH prediction due to the boundary treatment of using a mixture of volatiles and carrier gas to replace the methane-containing mixtures in the primary and pilot flow. It indicates that for such gas-assisted coal flames, the pilot fuel stream needs to be rigorously considered in the flamelet tabulation that could be resolved by extending the two-mixture-fraction model into a three-mixture-fraction model. The instantaneous Lagrangian particles histories show that the increasing of coal load has a negligible effect on devolatilization, but delays the char conversion.     

Large eddy simulation of fire plumes

FireFOAM, a new fire modeling code based on the OpenFOAM platform (www.openfoam.org), is developed and applied to model a series of purely buoyant fire plumes with heat release rates from 14 to 58 kW. The calculations are compared with McCaffrey’s (1979) experiments. The simulation results demonstrate good quantitative agreement with experimental measurements, and show the scaling relations of mean temperature and velocity in the continuous flame, intermittent and plume regions. The numerical simulations are shown to be strictly conservative in energy. Predicted flame heights and entrainment rates also compare well with experimental correlations. The good agreements in all aspects examined show that the current CFD model performs well for small-scale fire plumes. Turbulent fluctuation intensities and PDF of mixture fraction are presented to gain more insights into the structure of fire plumes.     

Large eddy simulation of hydrogen auto-ignition with a probability density function method

Large eddy simulation is applied to the auto-ignition of a hydrogen jet issuing into a turbulent co-flowing air stream. A 19 step, nine species detailed mechanism is used for reaction. The influence of sub-grid species concentration and temperature fluctuations are accounted for by a sub-grid joint PDF for the reactive scalars, obtained from solution of a modelled transport equation. The method is able to reproduce ignition lengths and different regimes observed experimentally without any adjustment or calibration of the model constants.     

Large eddy simulation of stably stratified turbulence

Stable stratification turbulence, as a common phenomenon in atmospheric and oceanic flows, is an important mechanism for numerical prediction of such flows. In this paper the large eddy simulation is utilized for investigating stable stratification turbulence numerically. The paper is expected to provide correct statistical results in agreement with those measured in the atmosphere or ocean. The fully developed turbulence is obtained in the stable stratification fluid by large eddy simulation with different...     

Large eddy simulation of city micro-atmospheric environment

Air quality is one of the important conditions for a better residence life in the populated urban area and it is closed related to the micro-atmospheric environment. Atmospheric environment is controlled by air motion with multi-scales in the city, while air flows in the residence area are of micro-scale atmospheric motion. This paper introduces a modern numerical simulation method, i.e. large eddy simulation (LES), for studying micro-atmospheric flows in the city residence area. For the complex flow features in the residence area, the proper application of LES is studied and various numerical methods are compared in order to investigate their effects on the prediction accuracy of micro-atmospheric flows, for instance, roughness elements and immersed boundary method for complex terrain, different subgrid models and so on. The wind field (including turbulence properties) and contaminant dispersion are computed by the proposed method for a model and a realistic residence area, and the numerical results are in good agreement with the experimental measurements. Supported by the National Natural Science Foundation of China (Grant No. 10572073) and Foundation for Development of Science and Technology in Macao (Grant No. 022/2006/A)     

Large eddy simulation of turbulent premixed combustion using tabulated detailed chemistry and presumed probability density function

A method of chemistry tabulation combined with presumed probability density function (PDF) is applied to simulate piloted premixed jet burner flames with high Karlovitz number using large eddy simulation. Thermo-chemistry states are tabulated by the combination of auto-ignition and extended auto-ignition model. To evaluate the predictive capability of the proposed tabulation method to represent the thermo-chemistry states under the condition of different fresh gases temperature, a-priori study is conducted by performing idealised transient one-dimensional premixed flame simulations. Presumed PDF is used to involve the interaction of turbulence and flame with beta PDF to model the reaction progress variable distribution. Two presumed PDF models, Dirichlet distribution and independent beta distribution, respectively, are applied for representing the interaction between two mixture fractions that are associated with three inlet streams. Comparisons of statistical results show that two presumed PDF models for the two mixture fractions are both capable of predicting temperature and major species profiles, however, they are shown to have a significant effect on the predictions for intermediate species. An analysis of the thermo-chemical state-space representation of the sub-grid scale (SGS) combustion model is performed by comparing correlations between the carbon monoxide mass fraction and temperature. The SGS combustion model based on the proposed chemistry tabulation can reasonably capture the peak value and change trend of intermediate species. Aspects regarding model extensions to adequately predict the peak location of intermediate species are discussed.     

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.     

Large eddy simulation of turbulent horizontal buoyant jets

Large eddy simulations (LESs) of turbulent horizontal buoyant jets are carried out using a high-order numerical method and Sigma subgrid-scale (SGS) eddy-viscosity model, for a number of different Reynolds (Re) and Richardson (Ri) numbers. Simulations at previous experimental flow conditions (Re = 3200, 24, 000 and Ri = 0, 0.01) are carried out first, and the results are found to be qualitatively and quantitatively similar to the experimental results, thus validating the numerical methodology. The effect of varying Ri (values 2×10^?4, 0.001, 0.005, and 0.01) and Re (3200 and 24, 000) is studied next. The presence of stable stratification on one side and unstable stratification on the other side of the jet centreline leads to an asymmetric development of horizontal buoyant jets. It is found that this asymmetry, the total radial spread and the vertical deflection are significantly affected by Ri, while Re affects only the radial asymmetry. The need for developing improved integral models, accounting for this asymmetry, is pointed out. Turbulent production and dissipation rates are investigated, and are found to be symmetric in the horizontal plane, but asymmetric in the mid-vertical plane. A previously proposed model, for correlation between the vertical component of the fluctuating scalar flux vector and the vertical cross-correlation component of the Reynolds tensor, is modified based on the current LES results. Instantaneous scalar and velocity fields are analysed to reveal the structure of horizontal buoyant jets. Similar to the developed turbulent jet, the flow close to the nozzle too is found to be markedly different in the stable and unstable stratification regions. Persistent coherent vortex rings are found in the stable stratification region, while intermittent breakdown of vortex rings into small-scale structures is observed in the unstable stratification region. Similarities and differences between the flow structures in the horizontal buoyant jet configuration and those in the jet in crossflow configuration are discussed. Finally, a dynamic mode decomposition analysis is carried out, which indicates that the flow in the unstable stratification region is more energetic and prone to instabilities, as compared to the flow in the stable stratification region.     

Large eddy simulation of a shocked gas cylinder instability induced turbulence

The Navier-Stokes equations for compressible fluid are solved with the operator splitting technique and LES (large eddy simulation) with the Smagorinsky model. A computational code MVFT (multi-viscosity-fluid and turbulence) is developed to study hydrodynamic instability and the induced turbulent mixing for multi compressible fluid. In order to validate the code MVFT,the LANL's shock tube experiment of shocked SF6 gas cylinder is simulated with the initial state of SF6 gas cylinder described by dissipative ...     

Large eddy simulation of swirling particle-laden flow in a model axisymmetric combustor

This paper focuses on the application of the large eddy simulation (LES) technique to a swirling particle-laden flow in a model combustion chamber. A series of calculations have been performed and compared directly with detailed experimental measurements. The computational domain identically matches the laboratory configuration, which effectively isolates effects related to dilute particle dispersion and momentum coupling. Results highlight the predictive capabilities of LES when implemented with the appropriate numerics, grid resolution (as dictated by the class of models employed) and well-defined boundary conditions. The case study provides a clearer understanding of the effectiveness and feasibility of current state-of-the-art models and a quantitative understanding of relevant modeling issues by analyzing the characteristic parameters and scales of importance. The novel feature of the results presented is that they establish a baseline level of confidence in our ability to simulate complex flows at conditions representative of those typically observed in gas-turbine (and similar) combustors.