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The filtered tabulated chemistry (FTACLES) approach utilizes data from pre-tabulated explicitly filtered 1D flame profiles for closure of the LES-filtered transport terms. Different methodologies are discussed to obtain a suitable progress variable c from detailed chemistry calculations of a methane/air flame. In this context, special focus is placed on the analytical modeling of the reaction source term using series of parameterized Gaussians. For increasing effective filter sizes in LES (i.e. including the flame thickening) the precise shape of the reaction rate profile becomes less and less relevant. In particular, it is shown that for one-step chemistry, a single Gaussian is sufficient to derive an explicitly expressible 1D flame profile with a prescribed laminar flame speed and thermal flame thickness. The resulting artificial flame profile is shown to have similarities with profiles based on carbon chemistry and detailed reaction mechanisms. Next, the behavior of the filtered c-transport equation is analyzed and several possible closure methods are compared for a wide range of filter widths. It is shown that the unclosed contribution of the filtered diffusion term can be combined with the subgrid convection term, thus simplifying the FTACLES formulation. The model is implemented in OpenFOAM and validated in 1D for a variety of LES filter sizes in combination with artificial flame thickening. A power-law-based wrinkling model is modified for use with artificial flame thickening and combined with the FTACLES model to enable 3D simulations of a premixed turbulent Bunsen burner. The comparison of 3D Large Eddy Bunsen flame simulations at increasing levels of turbulence intensity shows a good match to experimental results for most investigated cases. In addition, the results are mostly insensitive to the variation of the mesh size. [ABSTRACT FROM AUTHOR]

High-speed microjet hydrogen–air diffusion flames are investigated computationally. The focus is on the prediction of the so-called bottleneck phenomenon. The latter has been previously observed as a specific feature of the present flame class and has not yet been investigated computationally. In the configuration under consideration, the nozzle diameter is 0.5 mm and six cases with mean nozzle injection velocities (U) between 306 m/s and 561 m/s are considered. The flow in the nozzle lance is analyzed separately to obtain detailed inlet boundary conditions for the flame calculations. It is confirmed by calculation that the phenomenon is mainly determined by the transition to turbulence in the initial parts of the free jet. The transitional turbulence proves to be the biggest challenge in predicting this class of flames, as the generally available turbulence and turbulent combustion models reach the limits of their validity in transitional flows. In a Reynolds-Averaged Numerical Simulation framework, the Shear Stress Transport model is found to perform better than alternative two-equation models and is used as the turbulence model. By neglecting the interactions between the turbulence and chemistry (no-model approach), it is possible to predict the morphology of the bottleneck flame and its dependence on U qualitatively. However, the position of the bottleneck is overpredicted for U < 561 m/s. The experimental flames in the considered U range are all attached to the nozzle. This is also predicted by the no-model approach. The Eddy Dissipation Concept (EDC) used as the turbulence combustion model predicts, however, lifted flames (with increasing lift-off height as U decreases). With the EDC, no bottleneck morphology is observed for U = 561 m/s. For lower U, the EDC results for the bottleneck position are generally closer to the measurements. It is demonstrated that accuracy in predicting the bottleneck position can be improved by ad hoc modifications of the turbulent viscosity. [ABSTRACT FROM AUTHOR]

The selection of an appropriate combustion model for the numerical prediction of reacting flows remains an outstanding issue. Often, expert knowledge or experimental data is required to make an informed decision in selecting a suitable model. Furthermore, the computational cost that is associated with the application of a certain combustion model introduces another constraint in the selection process. By addressing these issues, the objective of this work is to develop a Pareto-efficient combustion (PEC) framework for application to complex chemically reacting flows under consideration of user-specific input about quantities of interest, desired simulation accuracy and computational cost, and a set of combustion models. PEC utilizes a Pareto efficiency, and introduces a manifold drift term as a measure for determining the adequacy of using a certain combustion-manifold model to predict selected quantities of interest. Since underlying model assumptions are encoded in the manifold, PEC restricts the application of submodels within its intended use. Further, the proposed approach for evaluating the manifold drift provides a rigorous method for combining different combustion models – as long as they can be described by a manifold. As such, this formulation represents a general description for the selection of combustion models, thereby overcoming potential limitations of flame-topology indicators and regime-specific combustion models. The capability of the PEC-framework is demonstrated in application to a tribrachial flame. By considering combustion models from the class of reaction-transport manifolds (inert mixing, equilibrium, flamelet/progress variable, and flame-prolongation in ILDM) and chemistry manifolds (using detailed and skeletal mechanisms), it is shown that PEC locally adapts the submodel fidelity within the user-defined threshold for selected quantities of interest. A parametric analysis is conducted to illustrate the dynamic range of the PEC-framework in accommodating Pareto-efficient submodel arrangements. [ABSTRACT FROM AUTHOR]

Direct numerical simulation (DNS) of freely-propagating premixed flames of a multi-component fuel is performed using a skeletal chemical mechanism with 49 reactions and 15 species. The fuel consists of CO, H2, H2O, CH4, and CO2in proportions akin to blast furnace gas or a low calorific value syngas. The simulations include low and high turbulence levels to elucidate the effect of turbulence on realistic chemistry flames. The multi-component fuel flame is found to have a more complex structure than most common flames, with individual species’ reaction zones not necessarily overlapping with each other and with a wide heat releasing zone. The species mass fractions and heat release rate show significant scatter, with their conditional average however remaining close to the laminar flame result. Probability density functions of displacement speed, stretch rate, and curvature are near-Gaussian. Five different mean reaction rate closures are evaluated in the RANS context using these DNS data, presenting perhaps the most stringent test to date of the combustion models. Significant quantitative differences are observed in the performance of the models tested, especially for the higher turbulence level case. [ABSTRACT FROM AUTHOR]

A turbulent reacting flow in a channel with an obstacle was simulated computationally with large eddy simulation turbulence modeling and the Xi turbulent combustion model for premixed flame. The numerical model was implemented in the open source software OpenFoam. Both inert flow and reactive flow simulations were performed. In the inert flow, comparisons with velocity profile and recirculation vortex zone were performed as well as an analysis of the energy spectrum obtained numerically. The simulation with reacting flow considered a pre-mixture of propane (C3H8) and air such that the equivalence ratio was equal to 0.65, with a theoretical adiabatic flame temperature of 1,800 K. The computational results were compared to experimental ones available in the literature. The equivalence ratio, inlet flow velocity, pressure, flame-holder shape and size, fuel type and turbulence intensity were taken from an experimental set up. The results shown in the present simulations are in good agreement with the experimental data. [ABSTRACT FROM AUTHOR]

Abstract: Probability density function (PDF) methods are especially suited for turbulent combustion calculations, since the averaging of the reaction source term in the governing equation poses no closure problem. Molecular mixing and computing thereof in the presence of chemical kinetics, however, remains a major modeling challenge; not only for PDF methods. In this work we present a new model for partially premixed combustion based on the joint statistics of mixture fraction, scalar dissipation rate and a burning indicator, which is used to evolve notional fluid particles in mixture fraction-reactive scalar space (e.g., enthalpy). Therefore, the parameterized scalar profile (PSP) mixing model was extended for reactive scalars. As in the PSP mixing model for inert scalars, each fluid particle is associated with a representative profile in physical space. Different than in the standard PSP model, the reactive profiles get modified by chemical reactions. The decision whether a fluid particle is reacting or not is based on a burning indicator, the local scalar dissipation rate and the profile boundaries. The burning indicator accounts for the flame propagation in the partially premixed environment and controls extinction and re-ignition; together with the scalar dissipation rate. The solutions of the reaction–diffusion equation for different scalar dissipation rates is used to determine the state of the embedded flame associated with a reacting particle, which allows to construct reactive scalar profiles and on the other hand pure diffusion is assumed for extinct particles. The new combustion model was validated with the Sandia flame F data and comparisons demonstrate its ability to account for the relevant phenomena in partially premixed flames. [Copyright &y& Elsevier]

Abstract: This paper is devoted to premixed combustion modeling in turbulent flow. First, we briefly remind the main features of the Self-Similar Turbulent Flame model that was more extensively developed in a former paper. Then, we carefully describe some improvements of the model. The determination of the turbulent flame velocity is based on the observed self-similarity of the turbulent flame and uses the local flame brush width as a fundamental parameter, which must be retrieved. With respect to the former version, we now derive more rigorously how the density variation has to be taken into account in the width retrieving function. We reformulate the diffusion term as a classical flux divergence term. We enforce the compatibility of the model for the limit of weak turbulence. We include a contracting effect of the source term, thus allowing to give a stationary mono-dimensional asymptotic solution with a finite width. We also include in a preliminary form, a stretch factor, which proves to be useful for controlling the flame behavior close to the flame holder and near the walls. The model implementation in the Star-CD CFD code is then tested on three different flame configurations. Finally, we shortly discuss the model improvements and the simulation results. [Copyright &y& Elsevier]

Combustion is an important subject of internal combustion engine studies. To reduce the air pollution from internal combustion engines and to increase the engine performance, it is required to increase combustion efficiency. In this study, effects of air/fuel ratio were investigated numerically. An axisymmetrical internal combustion engine was modeled in order to simulate in-cylinder engine flow and combustion. Two dimensional transient continuity, momentum, turbulence, energy, and combustion equations were solved. The k-e turbulence model was employed. The fuel mass fraction transport equation was used for modeling of the combustion. For this purpose a computational fluid dynamics code was developed by using the finite volume method with FORTRAN programming code. The moving mesh was utilized to simulate the piston motion. The developed code simulates four strokes of engine continuously. In the case of laminar flow combustion, Arrhenius type combustion equations were employed. In the case of turbulent flow combustion, eddy break-up model was employed. Results were given for rich, stoichiometric, and lean mixtures in contour graphs. Contour graphs showed that lean mixture (λ = 1.1) has longer combustion duration. [ABSTRACT FROM AUTHOR]

Abstract: The combustion processes of both gasoline and diesel engines are becoming similar, as a result of the application of direct fuel injection to the former and the reduction of the compression ratio of the latter. A novel time-scale interaction (TI) combustion model has been developed for simulating combustion phenomena with high accuracy, ranging from premixed charge combustion to diffusion combustion. This model is based on reasonable combustion regimes, taking into account the characteristic time scales of the chemical reactions and turbulence eddy break-up. The accuracy of the TI combustion model was validated by applying it to gasoline and diesel IC engines under a wide range of operating conditions. Comparisons of measured and calculated heat release rate patterns and cylinder pressure histories showed good agreement for both gasoline and diesel IC engines. [Copyright &y& Elsevier]

Abstract: The present study is devoted to the analysis of the influence of expansion phenomena on turbulent small scales in premixed reactive flows. It is shown that, under certain conditions, the expansion that takes place across wrinkled laminar flamelets can be sufficient to control the fluctuating velocity gradients and associated dissipation rate functions. These conditions are fixed by the respective values of a set of nondimensional parameters, namely the turbulence Reynolds number , the Bray number, and the ratio between integral length scale of turbulence and thermal flame front thickness. A new criterion is introduced that makes it possible to delineate the influence of expansion phenomena on small-scale turbulent premixed reactive flows. The relevance of this criterion is analyzed in the light of experimental results represented in the classical diagram of combustion regime. The present analysis confirms that special care is required to represent and include the influence of expansion phenomena when using either RANS or LES closures to model turbulent premixed combustion. [Copyright &y& Elsevier]

Abstract: To improve the prediction accuracy of the spark ignition and combustion processes in spark ignition engines, improved ignition and flame propagation models have been developed and implemented in the CFD code, KIVA-3V. An equation to calculate the spark ignition kernel growth rate is derived that considers the effects of the spark ignition discharge energy and flow turbulence on the ignition kernel growth. In addition, a flamelet combustion model based on the G equation combustion model was developed and implemented. To test the ignition and combustion models, they were applied to a homogeneous charge pancake-shaped-combustion-chamber engine, in which experimental heat flux data from probes in the engine head and cylinder liner were available. By comparing the flame arrival timings with the simulation predictions, the ignition and combustion models were validated. In addition, the models were also applied to a homogeneous charge propane-fueled SI engine. Good agreement with experimental cylinder pressures and NO x data was obtained as a function of ignition timing, engine speed, and EGR levels. [Copyright &y& Elsevier]