Linear eddy mixing based tabulation and artificial neural networks for large eddy simulations of turbulent flames

A large eddy simulation (LES) sub-grid model is developed based on the artificial neural network (ANN) approach to calculate the species instantaneous reaction rates for multi-step, multi-species chemical kinetics mechanisms. The proposed methodology depends on training the ANNs off-line on a thermo-chemical database representative of the actual composition and turbulence (but not the actual geometrical problem) of interest, and later using them to replace the stiff ODE solver (direct integration (DI)) to calculate the reaction rates in the sub-grid. The thermo-chemical database is tabulated with respect to the thermodynamic state vector without any reduction in the number of state variables. The thermo-chemistry is evolved by stand-alone linear eddy mixing (LEM) model simulations under both premixed and non-premixed conditions, where the unsteady interaction of turbulence with chemical kinetics is included as a part of the training database. The proposed methodology is tested in LES and in stand-alone LEM studies of three distinct test cases with different reduced mechanisms and conditions. LES of premixed flame–turbulence–vortex interaction provides direct comparison of the proposed ANN method against DI and ANNs trained on thermo-chemical database created using another type of tabulation method. It is shown that the ANN trained on the LEM database can capture the correct flame physics with accuracy comparable to DI, which cannot be achieved by ANN trained on a laminar premix flame database. A priori evaluation of the ANN generality within and outside its training domain is carried out using stand-alone LEM simulations as well. Results in general are satisfactory, and it is shown that the ANN provides considerable amount of memory saving and speed-up with reasonable and reliable accuracy. The speed-up is strongly affected by the stiffness of the reduced mechanism used for the computations, whereas the memory saving is considerable regardless.     

Assessment of SGS closure for isochoric combustion of hydrogen-air mixture

Direct numerical simulation (DNS) data of freely propagating turbulent premixed flame of stoichiometric hydrogen air mixture inside a closed vessel is analysed to study a sub-grid combustion closure based on unstrained flamelet approach. This modeling framework needs closures for the sub-grid scale (SGS) reaction rate and scalar dissipation rate. The results show that the closure models for these two SGS quantities work quite well. The dissipation rate closure involves a scale dependent parameter, ${\beta }_c$, which is related to the flame curvature induced effects. The reactivity of reactant mixture increases with time in isochoric combustion because the mixture temperature and pressure increase with time. This also influences the parameter ${\beta }_c$ and thus the dynamic evaluation of this parameter is investigated using the DNS data.     

Large eddy simulation of autoignition with a subgrid probability density function method

This paper applies the Eulerian stochastic field method to the solution of the subgrid joint probability density function (PDF) of the reacting scalars in a large eddy simulation (LES) of a jet of hydrogen issuing into a co-flow of vitiated air. The hot co-flow induces autoignition of the mixture and a lifted flame results downstream of the nozzle exit. The simulations were performed using a detailed H₂-air mechanism. The results were found to be sensitive to the co-flow temperature even with temperatures varied within the experimental uncertainty. The results obtained were in excellent agreement with the experimental data, both quantitatively and qualitatively. The method was able to capture partially premixed and partially extinguish zones with a relatively small number of stochastic fields. The radical HO₂ was found to be the trigger for autoignition. The fact that no large-scale premixed flame propagation was observed suggests that the stabilization mechanism is associated mainly with the chemistry.     

NO and CO formation in an industrial gas-turbine combustion chamber using LES with the Eulerian sub-grid PDF method

The advances in computing power and numerical schemes allow Large Eddy Simulation (LES) to use more detailed turbulent combustion models as well as to be applied to real gas turbine combustors. In this work, we investigate the emissions formation in an industrial gas-turbine combustion chamber using LES with an Eulerian stochastic sub-grid pdf model with reduced chemistry. Sub-grid stresses are represented by a dynamic version of the Smagorinsky model and sub-grid species fluctuations are characterised by eight stochastic fields. The chemistry was represented by an ARM reduced GRI 3.0 mechanism with 15 reaction steps and 19 species. All calculations were carried out using a detailed block-structured mesh capturing all geometrical features of the Siemens SGT-100 burner operating at a pressure of 3 bar. The influence of the radiation heat losses was investigated and the impact of an alternative 4-step chemical mechanism was discussed. The results show good agreement with the experimental data. The NO formation rates were quantified with prompt NO dominating the thermal and _N2O${\mathrm{N}}_2\mathrm{O}$ formation paths.     

Effects of premixed diethyl ether (DEE) on combustion and exhaust emissions in a HCCI-DI diesel engine

In this study, the effects of premixed ratio of diethyl ether (DEE) on the combustion and exhaust emissions of a single-cylinder, HCCI-DI engine were investigated. The experiments were performed at the engine speed of 2200 rpm and 19 N m operating conditions. The amount of the premixed DEE was controlled by a programmable electronic control unit (ECU) and the DEE injection was conducted into the intake air charge using low pressure injector. The premixed fuel ratio (PFR) of DEE was changed from 0% to 40% and results were compared to neat diesel operation. The percentages of premixed fuel were calculated from the energy ratio of premixed DEE fuel to total energy rate of the fuels. The experimental results show that single stage ignition was found with the addition of premixed DEE fuel. Increasing and phasing in-cylinder pressure and heat release were observed in the premixed stage of the combustion. Lower diffusion combustion was also occurred. Cycle-to cycle variations were very small with diesel fuel and 10% DEE premixed fuel ratio. Audible knocking occurred with 40% DEE premixed fuel ratio. NO_x-soot trade-off characteristics were changed and improvements were found simultaneously. NO_x and soot emissions decreased up to 19.4% and 76.1%, respectively, while exhaust gas temperature decreased by 23.8%. On the other hand, CO and HC emissions increased.     

A numerical study on NOx formation in laminar counterflow CH4/air triple flames

Formation of NO_x in counterflow methane/air triple flames at atmospheric pressure was investigated by numerical simulation. Detailed chemistry and complex thermal and transport properties were employed. Results indicate that in a triple flame, the appearance of the diffusion flame branch and the interaction between the diffusion flame branch and the premixed flame branches can significantly affect the formation of NO_x, compared to the corresponding premixed flames. A triple flame produces more NO and NO₂ than the corresponding premixed flames due to the appearance of the diffusion flame branch where NO is mainly produced by the thermal mechanism. The contribution of the N₂O intermediate route to the total NO production in a triple flame is much smaller than those of the thermal and prompt routes. The variation in the equivalence ratio of the lean or rich premixed mixture affects the amount of NO formation in a triple flame. The interaction between the diffusion and the premixed flame branches causes the NO and NO₂ formation in a triple flame to be higher than in the corresponding premixed flames, not only in the diffusion flame branch region but also in the premixed flame branch regions. However, this interaction reduces the N₂O formation in a triple flame to a certain extent. The interaction is caused by the heat transfer and the radical diffusion from the diffusion flame branch to the premixed flame branches. With the decrease in the distance between the diffusion flame branch and the premixed flame branches, the interaction is intensified.     

Response of partially premixed flames to acoustic velocity and equivalence ratio perturbations

This article describes an experimental investigation of the forced response of a swirl-stabilized partially premixed flame when it is subjected to acoustic velocity and equivalence ratio fluctuations. The flame’s response is analyzed using phase-resolved CH^* chemiluminescence images and flame transfer function (FTF) measurements, and compared with the response of a perfectly premixed flame under acoustic perturbations. The nonlinear response of the partially premixed flame is manifested by a partial extinction of the reaction zone, leading to rapid reduction of flame surface area. This nonlinearity, however, is observed only when the phase difference between the acoustic velocity and the equivalence ratio at the combustor inlet is close to zero. The condition, Δφ_Φ^′-V^′≈0°, indicates that reactant mixtures with high equivalence ratio impinge on the flame front with high velocity, inducing large fluctuations of the rate of heat release. It is found that the phase difference between the acoustic velocity and equivalence ratio nonuniformities is a key parameter governing the linear/nonlinear response of a partially premixed flame, and it is a function of modulation frequency, inlet velocity, fuel injection location, and fuel injector impedance. The results presented in this article will provide insight into the response of a partially premixed flame, which has not been well explored to date.     

Premixed flame impingement heat transfer with induced swirl

Experiments were performed to study the heat transfer characteristics of a swirling premixed flame impinging vertically normal to a horizontal plate. The effects of Reynolds number (Re), equivalence ratio (Ф) and nozzle-to-plate distance (H) on the heat flux were examined. Comparisons were also made between the heat transfer behaviors of the swirling premixed flame (SPF) with a non-swirling premixed flame (PF) operating under the same conditions.Compared with the PF, the swirling flows in the SPF increase the entrainment of ambient air and induce a faster radial spreading rate of the flame jet. Therefore, the SPF provides a larger heating area and produces a more uniform radial heat flux distribution. For both the SPF and PF, the heat flux increases with Re due to the more complete combustion occurring at higher Re. For the SPF, the heat transfer increases with Ф, while it decreases with Ф for the PF because the stronger entrainment of ambient air in the SPF supports a more complete combustion. A smaller H is required for the maximum heat transfer to occur for the SPF.