Numerical study of the coupling between reaction and mass transfer for liquid-liquid slug flow in square microchannels

While the benefits of miniaturisation on processes have been widely demonstrated, its impact on microfluidics and local mechanisms such as mass transfer is still little understood. The aim of this work is to simulate coupling between reaction and mass transfer in microchannels for liquid-liquid slug flow. First, the extrapolation to confined flow of the classical model used to calculate interfacial mass fluxes in reactive infinite media was studied. This model consists in estimating transferred fluxes between two phases as a function of the enhancement factor E. Its expression depends on the model used to represent interfacial mass transfer. In infinite media, Lewis and Whitman’s stagnant film theory is generally preferred for its simplicity and its reliability. In the case of confined slug flow, the limitation of such a model to predict interfacial fluxes is highlighted. Secondly, the case of liquid-liquid competitive consecutive reactions in microchannels is considered. This work emphasizes the unfavourable impact of the length between droplets on selectivity. This is a direct consequence of mass transport mechanisms in microchannels

The 3-Zones Extended Coherent Flame Model (Ecfm3z) for Computing Premixed/Diffusion Combustion

The Extended Coherent Flame Model of Colin et al. (2003) developed to model combustion in perfectly or partially mixed mixtures is adapted to also account for unmixed combustion. The ECFM model is based on a flame surface density equation which takes into account the wrinkling of the flame front surface by turbulent eddies and a conditioning averaging technique which allows precise reconstruction of local properties in fresh and burned gases even in the case of high levels of local fuel stratification. This model has been used with success in gasoline engines (Duclos et al., 1996; Duclos and Zolver, 1998; Lafossas et al., 2002; Henriot et al., 2003; Kleemann et al., 2003). In order to adapt the model to unmixed combustion for Diesel application, a description of the mixing state has been added. It is represented by three mixing zones: a pure fuel zone, a pure air plus possible residual gases zone and a mixed zone in which the ECFM combustion model is applied. A mixing model is presented which allows progressive mixing of the initially unmixed fuel and air. This new combustion model, called ECFM3Z (3-Zones Extended Coherent Flame Model), can therefore be seen as a simplified CMC (Conditional Moment Closure) type model where the mixture fraction space would be discretized by only three points. The conditioning technique is extended to the three mixing zones and allows to reconstruct, like in the ECFM model, the gas properties in the unburned and burned gases of the mixed zone. Application of the model to internal combustion engine calculations implies the necessity of auto-ignition modelling coupled to premixed and diffusion flames description. Auto-ignition is modelled following (Colin et al., 2004), while the premixed turbulent flame description is given by the ECFM. The diffusion flame is now accounted for thanks to the three zones mixing structure which represents phenomenologically the diffusion of fuel and air towards the reactive layer, that is the mixed zone. The ECFM3Z combustion model has already been presented (Béard et al., 2003) in a comparative work between Diesel experiments and corresponding calculations covering different engine operating points. Here, the model is presented in all its details and its behavior is analysed when the relative duration of injection and auto-ignition delay are varied in a direct injection Diesel engine. It is shown that the model is able to reproduce the relative importance of auto-ignition and diffusion flame on the total heat release, depending on the engine operating point considered

IFP-C3D: an Unstructured Parallel Solver for Reactive Compressible Gas Flow with Spray

IFP-C3D, a hexahedral unstructured parallel solver dedicated to multiphysics calculation, is being developed at IFP to compute the compressible combustion in internal engines. IFP-C3D uses an unstructured formalism, the finite volume method on staggered grids, time splitting, SIMPLE loop, sub-cycled advection, turbulent and Lagrangian spray and a liquid film model. Original algorithms and models such as the conditional temporal interpolation methodology for moving grids, the remapping algorithm for transferring quantities on different meshes during the computation enable IFP-C3D to deal with complex moving geometries with large volume deformation induced by all moving geometrical parts (intake/exhaust valve, piston). The Van Leer and Superbee slop limiters are used for advective fluxes and the wall law for the heat transfer model. Physical models developed at IFP for combustion (ECFM gasoline combustion model and ECFM3Z for Diesel combustion model), for ignition (TKI for auto-ignition and AKTIM for spark plug ignition) and for spray modelling enable the simulation of a large variety of innovative engine configurations from non-conventional Diesel engines using for instance HCCI combustion mode, to direct injection hydrogen internal combustion engines. Large super-scalar machines up to 1 000 processors are being widely used and IFP-C3D has been optimized for running on these Cluster machines. IFP-C3D is parallelized using the Message Passing Interface (MPI) library to distribute calculation over a large number of processors. Moreover, IFP-C3D uses an optimized linear algebraic library to solve linear matrix systems and the METIS partitionner library to distribute the computational load equally for all meshes used during the calculation and in particular during the remap stage when new meshes are loaded. Numerical results and timing are presented to demonstrate the computational efficiency of the code

3d Modeling of Mixing, Ignition and Combustion Phenomena in Highly Stratified Gasoline Engines

The present paper describes recent developments realised at IFP on the 3D modeling of combustion in spark ignition engines. They consist in improvements made to the classical coherent flame model (CFM) to yield the extended coherent flame model (ECFM), specifically adapted to simulating the combustion process in direct injection-spark ignition (DI-SI) engines. The principal idea of this extension consists in describing locally the fuel/air (F/A) equivalence ratio in fresh gases, composition (including residual gases) and temperature, allowing to improve the description of large scale stratification. A generalisation of this approach to multi-component fuels is proposed. The effect of small scale stratification is included into the ECFM model via a variance/scalar dissipation model in combination with a presumed probability density function approach for the fuel stratification. The spark ignition model AKTIM, developed to represent the initiation of combustion at the spark plug, has been modified here in order to account for the flame wrinkling by turbulence. It is shown that this effect is essential in the case of high turbulence levels. Finally, a model to predict knock in SI engines is briefly described. These developments are then validated on two engine configurations: an optical access engine, for which LIF (laser induced fluorescence) measurements are available and the gasoline direct injection Mitsubishi engine for global validations

Simulation aux grandes échelles de l'injection de carburant liquide dans les moteurs à combustion interne

Les objectifs ambitieux, fixés aux acteurs du secteur automobile par les pouvoirs publics, en matière d'émission de polluants et de gaz à effet de serre rendent aujourd'hui indispensable une compréhension plus fine de la combustion dans les moteurs. La simulation 3D aux grandes échelles (LES) représente une voie prometteuse pour répondre à ces enjeux. Elle permet l'étude de phénomènes transitoires complexes inaccessibles avec des moyens expérimentaux ou des méthodes de calculs traditionnelles de type RANS. Ce travail de thèse est une première étape vers la simulation LES de l'injection de carburant liquide dans les moteurs à piston. Il a consisté à adapter le code de calcul aux particularités physiques de l'injection directe, technologie qui se généralise actuellement à tous les types de moteurs à piston. Dans un premier temps, et afin de s'affranchir du calcul 3D complexe en sortie d'injecteur, une méthodologie originale, consistant à initier le calcul en aval de l'injecteur, est proposée et validée sur différents cas. Pour la simulation 3D, l'approche Eulérienne mésoscopique, à laquelle est ajouté un modèle d'interaction particules-particules, est utilisée pour simuler le spray. Les simulations ont été premièrement validées par comparaison expérimentale dans des conditions proches de l'injection Diesel. De plus, une étude sur la dynamique du spray a permis de mieux comprendre son évolution et de dégager des points communs avec un jet de gaz turbulent. Des simulations complémentaires ont également montré la prédictivité de la LES sur des injections Diesel réalistes. Enfin, un premier calcul moteur à injection directe a été réalisé et a permis de valider les développements réalisés dans le cadre de cette thèse.Car manufacturers are facing increasingly severe regulations on pollutant emissions and fuel consumption. To respect these regulations, a better understanding of combustion processes is needed. Large Eddy Simulation (LES) is becoming a promising tool for such issues as it allows the study of complex unsteady phenomena which can not be analysed with RANS simulations or experiments. The present work is a step towards the LES of liquid injection in piston engines. The numerical code has been adapted to the specifications of Direct Injection which is more and more used in industry. Firstly, in order to avoid the difficulties linked to the 3D simulation of cavitation, primary break-up and turbulence in the near-nozzle region, an original methodology, based on an injector model, has been proposed. The idea is to initiate the spray physics downstream to the injector exit. Then LES 3D simulations of spray have been conducted using the Eulerian Mesoscopic approach extended to dense dispersed sprays by the addition of a particle-particle interactions model. The simulation results have been validated by comparison with experimental data in Diesel conditions with a low injection pressure. Furthermore a study on the spray dynamics has permitted to better understand its development and to find similarities with a turbulent gaseous jet. Additional simulations on realistic Diesel injection conditions have shown the good predictivity of LES in such cases. Finally, a first simulation of a Direct Injection Engine has been been carried out to assess the developments achieved in this work.TOULOUSE-INP (315552154) / SudocSudocFranceF

Multiscale Engine Simulations using a Coupling of 0-D/1-DModel with a 3-D Combustion Code

Requirements for the reduction of both pollutant emissions and fuel consumption mean that there is a need to design of new engine concepts (e.g. HCCI, CAI, etc.). To reduce the time of the development loop for these concepts, 1D approaches can be used to simulate whole-engine behaviour. These approaches are based on phenomenological models that need to be fitted to experimental data. However these data are not always available. One way to solve this problem consists in combining 1D and 3D approaches: 1D simulations are used in the gas exchange system or for the fuel injection system and provide necessary inputs (e.g. volumetric efficiency, thermodynamic state, mixture composition, mass flow rate, etc.) for 3D simulations which are used in the combustion chamber to ensure an accurate description of the combustion process (especially pollutant emissions). This strategy allows us to obtain much more information and should improve the predictivity of the simulation. Two different approaches to carry out this coupling have been developed, the first one is based on the pre-processing of the 3D numerical results to generate combustion maps and the second one used a direct temporal coupling between the 1D and the 3D codes. The two methods are described in this paper. We also report on the relevant engine simulations which were carried out to demonstrate the capabilities of the two coupled approaches

Coupling of a 1-D Injection Model with a 3-D Combustion Code for Direct Injection Diesel Engine Simulations

Modern diesel engines operate under injection pressures varying from 30 to 200 MPa and employ combinations of very early and conventional injection timings to achieve partially homogeneous mixtures. The variety of injection and cylinder pressures, as well as injector dynamics, result in different injection rates, depending on the conditions. These variations can be captured by 1-D injection models that take into account the dynamics of the injector, the cylinder and injection pressures, and the internal geometry of the nozzle. The information obtained by these models can be used to provide initial and boundary conditions for the spray modeling in a 3-D combustion code. In this paper, a methodology for coupling a 1-D injection model with a 3-D combustion code for direct-injected diesel engines is presented. A single-cylinder diesel engine has been used to demonstrate the capabilities of the model under varying injection conditions. Moreover, this coupling strategy opens a new methodology for 3-D calculations that do not need to fit initial conditions but use directly a 0-D model for intake/exhaust conditions and injection conditions. Using coupling strategy makes easier to run 3-D engine simulations, reduce engineering time and allows to investigate a large range of interesting phenomena