Large-Eddy Simulations of Spray a Flames Using Explicit Coupling of the Energy Equation with the FGM Database

This paper provides a numerical study on n-dodecane flames using Large-Eddy Simulations (LES) along with the Flamelet Generated Manifold (FGM) method for combustion modeling. The computational setup follows the Engine Combustion Network Spray A operating condition, which consists of a single-hole spray injection into a constant volume vessel. Herein we propose a novel approach for the coupling of the energy equation with the FGM database for spray combustion simulations. Namely, the energy equation is solved in terms of the sensible enthalpy, while the heat of combustion is calculated from the FGM database. This approach decreases the computational cost of the simulation because it does not require a precise computation of the entire composition of the mixture. The flamelet database is generated by simulating a series of counterflow diffusion flames with two popular chemical kinetics mechanisms for n-dodecane. Further, the secondary breakup of the droplet is taken into account by a recently developed modified version of the Taylor Analogy Breakup model. The numerical results show that the proposed methodology captures accurately the main characteristics of the reacting spray, such as mixture formation, ignition delay time, and flame lift-off. Additionally, it captures the “cool flame" between the flame lift-off and the injection nozzle. Overall, the simulations show differences between the two kinetics mechanisms regarding the ignition characteristics, while similar flame structures are observed once the flame is stabilised at the lift-off distance.

     

Experimental and Theoretical Sensitivity Analysis of Turbulent Flow Past a Square Cylinder

The Siemens SGT-800 3^rd generation DLE burner fitted to an atmospheric combustion rig has been numerically investigated. Pure methane and methane enriched by 80 vol% hydrogen flames have been considered. A URANS (Unsteady Reynolds Averaged Navier-Stokes) approach was used in this study along with the k ? ω SST and the k ? ω SST-SAS models for the turbulence transport. The chemistry is coupled to the turbulent flow simulations by the use of a laminar flamelet library combined with a presumed PDF. The effect of the mesh density in the mixing and the flame region and the effect of the turbulence model and reaction rate model constant are first investigated for the methane/air flame case. The results from the k ? ω SST-SAS along with flamelet libraries are shown to be in excellent agreement with experimental data, whereas the k ? ω SST model is too dissipative and cannot capture the unsteady motion of the flame. The k ? ω SST-SAS model is used for simulation of the 80 vol% hydrogen enriched flame case without further adjusting the model constants. The global features of the hydrogen enrichment are very well captured in the simulations using the SST-SAS model. With the hydrogen enrichment the time averaged flame front location moves upstream towards the burner exit nozzle. The results are consistent with the experimental observations. The model captures the three dominant low frequency unsteady motion observed in the experiments, indicating that the URANS/LES hybrid model indeed is capable of capturing complex, time dependent, features such as an interaction between a PVC and the flame front.     

The Numerical Simulation of Diesel Spray Combustion with LES-CMC

A Large Eddy Simulation (LES) approach together with the Conditional Moment Closure (CMC) method have been used for the simulation of spray combustion in engine-like conditions. The strategy consists of coupling an academic CMC code with the commercial CFD software Star-CD?(CD-adapco). Two issues have been investigated: firstly, the applicability of conventional spray models to LES and secondly, LES-CMC for spray combustion. Conventional spray models that were originally developed for use in Reynolds-averaged equations have been assessed for their applicability within the LES framework by conducting non-reacting spray computations. Liquid core penetration, spray spreading angle and vapour phase penetration have been compared to the available experimental data and the agreement between LES and experiments is satisfactory. Several reacting spray calculations have been performed with a range of initial mixture and temperature conditions, which mimic Diesel engine configurations. The computed auto-ignition time and flame lift-off length are in good agreement with the experimental data. Despite the uncertainties associated with the spray models and the chemistry, the results illustrate that the LES-CMC methodology can reproduce well the experimental results.     

Large-eddy and unsteady RANS simulations of a shock-accelerated heavy gas cylinder

Two-dimensional numerical simulations of the Richtmyer–Meshkov unstable “shock-jet” problem are conducted using both large-eddy simulation (LES) and unsteady Reynolds-averaged Navier–Stokes (URANS) approaches in an arbitrary Lagrangian–Eulerian hydrodynamics code. Turbulence statistics are extracted from LES by running an ensemble of simulations with multimode perturbations to the initial conditions. Detailed grid convergence studies are conducted, and LES results are found to agree well with both experiment and high-order simulations conducted by Shankar et al. (Phys Fluids 23, 024102, 2011). URANS results using a k–L approach are found to be highly sensitive to initialization of the turbulence lengthscale L and to the time at which L becomes resolved on the computational mesh. It is observed that a gradient diffusion closure for turbulent species flux is a poor approximation at early times, and a new closure based on the mass-flux velocity is proposed for low-Reynolds-number mixing.     

A RANS simulation toward the effect of turbulence and cavitation on spray propagation and combustion characteristics

A multidimensional computational fluid dynamic code was developed and integrated with probability density function combustion model to give the detailed account of multiphase fluid flow. The vapor phase within injector domain is treated with Reynolds-averaged Navier–Stokes technique. A new parameter is proposed which is an index of plane-cut spray propagation and takes into account two parameters of spray penetration length and cone angle at the same time. It was found that spray propagation factor (SPI) tends to increase at lower r/d ratios, although the spray penetration tends to decrease. The results of SPI obtained by empirical correlation of Hay and Jones were compared with the simulation computation as a function of respective r/d ratio. Based on the results of this study, the spray distribution on plane area has proportional correlation with heat release amount, NO _x emission mass fraction, and soot concentration reduction. Higher cavitation is attributed to the sharp edge of nozzle entrance, yielding better liquid jet disintegration and smaller spray droplet that reduces soot mass fraction of late combustion process. In order to have better insight of cavitation phenomenon, turbulence magnitude in nozzle and combustion chamber was acquired and depicted along with spray velocity.     

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.     

Numerical and experimental investigation on droplet dynamics and dispersion of a jet engine injector

In the case of turbine combustors operating with liquid fuel the combustion process is governed by the liquid fuel atomization and its dispersion in the combustion chamber. By highly unsteady flow field conditions the transient interaction between the liquid and the gaseous phase is of interest, because it results in a temporal variation of air–fuel ratio which leads to a fluctuating temperature distribution. The objective of this research was the investigation of transient flow field phenomena (e.g. large coherent structures) on droplet dynamics and dispersion of an isothermal flow (of inert water droplets) as a necessary first step towards a full analysis of spray combustion in real-life devices. The advanced injector system for lean jet engine combustors PERM (Partial Evaporated Rapid Mixing) was applied, generating a dilute polydispersed spray in a swirled flow field. Experiments were performed using Phase Doppler Anemometry (PDA) and a patternator to determine the droplet polydispersity, concentration maps, and velocity profiles in the flow. An important finding is the effect of large-scale coherent structures due mainly to the precessing of the vortex core (PVC) of the swirling air jet on the particle dispersion patterns. The experimental results then serve as reference data to assess the accuracy of the Eulerian–Lagrangian computations using a Large Eddy Simulation (LES), a Unsteady Reynolds-Average Navier–Stokes Simulation (URANS) and two simplified (steady-state) simulations. There, a simplified droplet injection model was used and the required boundary conditions of injected droplet sizes were obtained from measurements. Important transient effects of deterministic droplet separation observed during experiments, could be perfectly replicated with this injection model. It is convincingly shown, through extensive computations, that the resolution of instantaneous vortical structures is indeed crucial; hence the LES, or a reasonably-well resolved URANS are preferred over the steady-state solutions with additional, stochastic-type, turbulent dispersion models.     

LES/CMC Simulations of Swirl-Stabilised Ethanol Spray Flames Approaching Blow-Off

Large Eddy Simulations (LES) with the Conditional Moment Closure (CMC) combustion model of swirling ethanol spray flames have been performed in conditions close to blow-off for which a wide database of experimental measurements is available for both flame and spray characterization. The solution of CMC equations exploits a three-dimensional unstructured code with a first order closure for chemical source terms. It is shown that LES/CMC is able to properly capture the flame structure at different conditions and agrees reasonably well with the measurements both in terms of mean flame shape and dynamic behaviour of the flame evaluated in terms of local extinctions and statistics of the lift-off height. Experimental measurements of the overall (liquid plus gaseous) mixture fraction, performed using the Laser-Induced Breakdown Spectroscopy technique, are also included allowing further assessment and validation of the numerical method. The sensitivity of the simulation results to the various boundary conditions is discussed.     

Large eddy simulation of fuel injection and mixing process in a diesel engine

The large eddy simulation(LES) approach implemented in the KIVA-3V code and based on one-equation sub-grid turbulent kinetic energy model are employed for numerical computation of diesel sprays in a constant volume vessel and in a Caterpillar 3400 series diesel engine.Computational results are compared with those obtained by an RANS(RNG k-ε) model as well as with experimental data.The sensitivity of the LES results to mesh resolution is also discussed.The results show that LES generally provides flow and spray characteristics in better agreement with experimental data than RANS;and that small-scale random vortical structures of the in-cylinder turbulent spray field can be captured by LES.Furthermore,the penetrations of fuel droplets and vapors calculated by LES are larger than the RANS result,and the sub-grid turbulent kinetic energy and sub-grid turbulent viscosity provided by the LES model are evidently less than those calculated by the RANS model.Finally,it is found that the initial swirl significantly affects the spray penetration and the distribution of fuel vapor within the combustion chamber.     

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.     

Investigation of Two-Fluid Methods for Large Eddy Simulation of Spray Combustion in Gas Turbines

An extension of the large eddy simulation (LES) technique to two-phase reacting flows, required to capture and predict the behavior of industrial burners, is presented. While most efforts reported in the literature to construct LES solvers for two-phase flow focus on Euler–Lagrange formulation, the present work explores a different solution (‘two-fluid’ approach) where an Eulerian formulation is used for the liquid phase and coupled with the LES solver of the gas phase. The equations used for each phase and the coupling terms are presented before describing validation in two simple cases which gather some of the specificities of real combustion chamber: (1) a one-dimensional laminar JP10/air flame and (2) a non-reacting swirled flow where solid particles disperse (Sommerfeld and Qiu, Int. J. Multiphase Flow 19(6):1093–1127, 1993). After these validations, the LES tool is applied to a realistic aircraft combustion chamber to study both a steady flame regime and an ignition sequence by a spark. Results bring new insights into the physics of these complex flames and demonstrate the capabilities of two-fluid LES.     

LES of Low to High Turbulent Combustion in an Elevated Pressure Environment

A subgrid scale flame surface density combustion model for the Large Eddy Simulation (LES) of premixed combustion is derived and validated. The model is based on fractal characteristics of the flame surface, assuming a self similar wrinkling of the flame between smallest and largest wrinkling length scales. Experimental and direct numerical simulation databases as well as theoretical models are used to derive a model for the fractal parameters, namely the cut-off lengths and the fractal dimension suitable in the LES context. The combustion model is designed with the intent to simulate low as well as high Reynolds number premixed turbulent flame propagation and with a focus on correct scaling with pressure. The combustion model is validated by simulations of turbulent Bunsen flames with methane and propane fuel at pressure levels between 0.1 MPa and 2 MPa and at turbulence levels of $0 < u^{\prime }/s_{L}^{0} < 11$ , conditions typical for spark ignition engines. The predicted turbulent flame speed is in a very good agreement with the experimental data and a smooth transition from resolved flame wrinkling to fully modelled, nearly subgrid-only wrinkling is realized. Evaluating the influence of mesh resolution shows a predicted mean flame surface and turbulent flame speed independent of mesh resolution for cases with 9–86 % resolved flame surface. Additional simulations of a highly turbulent jet flame at 0.1 MPa and 0.5 MPa and the comparison with experimental data in terms of flame shape, velocity field and turbulent fluctuations validates the model also at conditions typical for gas turbines.     

Large-Eddy Simulation of Turbulent Flow Around a Finite-Height Wall-Mounted Square Cylinder Within a Thin Boundary Layer

The paper describes the results of a computational study of the auto-ignition of a fuel spray under Exhaust Gas Recirculation (EGR) conditions, a technique used to reduce the production of NO_x. Large Eddy Simulation (LES) is performed, and the stochastic field method is used for the solution of the joint sub-grid probability density function (pdf) of the chemical species and energy. The fuel spray is n-heptane, a diesel surrogate and its chemical kinetics are described by a reduced mechanism involving 22 species and 18 reaction steps. The method is applied to a constant volume combustion vessel able to reproduce EGR conditions by the ignition of a hot gas mixture previously introduced into the chamber. Once the prescribed conditions are reached the fuel is then injected. Different EGR conditions in terms of temperature and initial ambient chemical composition are simulated. The results are in good overall agreement with measurements both regarding the ignition delay times and the lift-off heights.     

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.     

Experimental and Numerical Simulations of Spray Impingement and Combustion Characteristics in Gasoline Direct Injection Engines under Variable Driving Conditions

Gasoline direct injection (GDI) increases engine power output and reduces emissions. In GDI engines, increasing injection pressure improves atomization, which increases thermal efficiency at the cost of wall wetting. When wall wetting occurs, both soot emissions and fuel consumption increase. Wall wetting in GDI engines under cold driving conditions has rarely been considered. In this study, experimental data characterizing droplet splashing/spreading phenomena were collected to inform numerical simulations of combustion characteristics and wall wetting subject to variable driving conditions and excess air ratio, λ. Fully 3D and unsteady numerical simulations were carried out to predict flow-field, combustion, and spray-impingement characteristics. To simulate a GDI engine, a spray-impingement model was developed using both experimental data and previous modeling efforts. The excess air ratio and driving-condition temperature were the variable parameters considered in this study. When decreasing λ from 1.0 to 0.7 by increasing the fuel-injection rate (fuel rich), the cylinder pressure increases to 61 % of the pressure when λ=1.0. Because of increasing the fuel-injection rate, the increased momentum in the fuel spray increases both wall wetting and soot generation. At low driving-condition temperatures, the cylinder pressure was up to 63 % less than that under warm conditions, but with increased soot generation. Simulations revealed a correlation between wall wetting and the soot emissions. Soot generation was most sensitive to changes in wall wetting.     

Improved atomization,collision and sub-grid scale momentum coupling models for transient vaporizing engine sprays

A computationally efficient spray model is presented for the simulation of transient vaporizing engine sprays. It is applied to simulate high-pressure fuel injections in a constant volume chamber and in mixture preparation experiments in a light-duty internal combustion engine. The model is based on the Lagrangian-Particle/Eulerian-Fluid approach, and an improved blob injection model is used that removes numerical dependency on the injected number of computational parcels. Atomization is modeled with the hybrid Kelvin–Helmholtz/Rayleigh–Taylor scheme, in combination with a drop drag model that includes Mach number and Knudsen number effects. A computationally efficient drop collision scheme is presented, tailored for large numbers of parcels, using a deterministic collision impact definition and kd-tree data search structure to perform radius-of-influence based, grid-independent collision probability estimations. A near-nozzle sub-grid scale flow-field representation is introduced to reduce numerical grid dependency, which uses a turbulent transient gas-jet model with a Stokes–Strouhal analogy assumption. An implicit coupling method was developed for the Arbitrary Lagrangian–Eulerian (ALE) turbulent flow solver. A multi-objective genetic algorithm was used to study the interactions of the various model constants, and to provide an optimal calibration. The optimal set showed similar values of the primary breakup constants as values used in the literature. However, different values were seen for the gas-jet model constants for accurate simulations of the initial spray transient. The results show that there is a direct correlation between the predicted initial liquid-phase transient and the global gas-phase jet penetration. Model validation was also performed in engine simulations with the same set of constants. The model captured mixture preparation well in all cases, proving its suitability for simulations of transient spray injection in engines.     

Joint RANS/LES Approach to Premixed Flame Modelling in the Context of the TFC Combustion Model

We present an original timesaving joint RANS/LES approach to simulate turbulent premixed combustion. It is intended mainly for industrial applications where LES may not be practical. It is based on successive RANS/LES numerical modelling, where turbulent characteristics determined from RANS simulations are used in LES equations for estimation of the subgrid chemical source and viscosity. This approach has been developed using our TFC premixed combustion model, which is based on a generalization of the Kolmogorov’s ideas. We assume existence of small-scale statistically equilibrium structures not only of turbulence but also of the reaction zones. At the same time, non-equilibrium large-scale structures of reaction sheets and turbulent eddies are described statistically by model combustion and turbulence equations in RANS simulations or follow directly without modelling in LES. Assumption of small-scale equilibrium gives an opportunity to express the mean combustion rate (controlled by small-scale coupling of turbulence and chemistry) in the RANS and LES sub-problems in terms of integral or subgrid parameters of turbulence and the chemical time, i.e. the definition of the reaction rate is similar to that of the mean dissipation rate in turbulence models where it is expressed in terms of integral or subgrid turbulent parameters. Our approach therefore renders compatible the combustion and turbulent parts of the RANS and LES sub-problems and yields reasonable agreement between the RANS and averaged LES results. Combining RANS simulations of averaged fields with LES method (and especially coupled and acoustic codes) for simulation of corresponding nonstationary process (and unsteady combustion regimes) is a promising strategy for industrial applications. In this work we present results of simulations carried out employing the joint RANS/LES approach for three examples: High velocity premixed combustion in a channel, combustion in the shear flow behind an obstacle and the impinging flame (a premixed flame attached to an obstacle).