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Modeling combustion of transportation fuels remains a difficult task due to the extremely large number of species constituting commercial gasoline and diesel. However, for this purpose, multi-component surrogate fuel models with a reduced number of key species and dedicated reaction subsets can be used to reproduce the physical and chemical traits of diesel and gasoline, also allowing to perform CFD calculations. Recently, a detailed surrogate fuel kinetic model, named C3 mechanism, was developed by merging high-fidelity sub-mechanisms from different research groups, i.e. C0-C4 chemistry (NUI Galway), linear C6-C7 and iso-octane chemistry (Lawrence Livermore National Laboratory), and monocyclic aromatic hydrocarbons (MAHs) and polycyclic aromatic hydrocarbons (PAHs) (ITV-RWTH Aachen and CRECK modelling Lab-Politecnico di Milano).

Partially premixed combustion (PPC) can be applied to decrease emissions and increase fuel efficiency in direct injection, compression ignition (DICI) combustion engines. PPC is strongly influenced by the mixing of fuel and oxidizer, which for a given fuel is controlled mainly by (a) the fuel injection, (b) the in-cylinder flow, and (c) the geometry and dynamics of the engine. As the injection timings can vary over a wide range in PPC combustion, detailed knowledge of the in-cylinder flow over the whole intake and compression strokes can improve our understanding of PPC combustion. In computational fluid dynamics (CFD) the in-cylinder flow is sometimes simplified and modeled as a solid-body rotation profile at some time prior to injection to produce a realistic flow field at the moment of injection. In real engines, the in-cylinder flow motion is governed by the intake manifold, the valve motion, and the engine geometry.

The current development to set up an automatic procedure for automatic mesh generation and automatic mesh motion for internal combustion engine simulation in OpenFOAM®-2.2.x is here described. In order to automatically generate high-quality meshes of cylinder geometries, some technical issues need to be addressed: 1) automatic mesh generation should be able to control anisotropy and directionality of the grid; 2) during piston and valve motion, cells and faces must be introduced and removed without varying the overall area and volume of the cells, to avoid conservation errors. In particular, interpolation between discrete fields is frequent in computational physics: the use of adaptive and non-conformal meshes necessitates the interpolation of fields between different mesh regions. Interpolation problems also arise in areas such as model coupling, model initialization and visualisation.

The influence of spray-wall interaction on air entrainment in an unsteady non-evaporating diesel spray was studied using laser Doppler anemometry. The spray was injected into confined quiescent air at ambient pressure and temperature and made to impact on a flat wall. The air velocity component normal to a cylindrical surface surrounding the spray was measured during the entire injection period, allowing to evaluate the time history of the entrained air mass flow rate. The influence of wall distance and spray impingement angle on air entrainment characteristics has been investigated and the results indicate that the presence of a wall increases the entrained mass flow rate in the region close to the surface, during the main injection period. Normal impingement appears to produce stronger effects than oblique incidence at 30 and 45 deg. A qualitative explanation of the results is also proposed, based on the drop-gas momentum exchange mechanism.

Aim of this work is to present and discuss the possibility and the limits of two zone models for spark-ignition engines using a detailed kinetic scheme for the characterization of the evolution of the air-fuel mixture, while an equilibrium approach is used for the burnt zone. Simple experimental measurements of knocking tendency of different fuels in ideal reactors, such as rapid compression machines and shock tube reactors, cannot be directly used for the analysis of octane numbers and sensitivity of hydrocarbon mixtures. Thus a careful investigation is very useful, not only of the combustion chamber behavior, including the modelling of the turbulent flame front propagation, but also of the fluid dynamic behavior of the intake and exhaust system, accounting for the volumetric efficiency of the engine.

Prediction of in-cylinder flows and fuel-air mixing are two fundamental pre-requisites for a successful simulation of direct-injection engines. Over the years, many efforts were carried out in order to improve available turbulence and spray models. However, enhancements in physical modeling can be drastically affected by how the mesh is structured. Grid quality can negatively influence the prediction of organized charge motion structures, turbulence generation and interaction between in-cylinder flows and injected sprays. This is even more relevant for modern direct injection engines, where multiple injections and control of charge motions are employed in a large portion of the operating map. Currently, two different approaches for mesh generation exist: manual and automatic. The first makes generally possible to generate high-quality meshes but, at the same time, it is very time consuming and not completely free from user errors.

The paper focuses on the development of a mesh moving method based on non-conformal topologically changing grids applied to the simulation of IC engines, where the prescribed motion of piston and valves is accomplished by rigidly translating the sub-domain representing the moving component. With respect to authors previous work, a more robust and efficient algorithm to handle the connectivity of non-conformal interfaces and a mesh-motion solver supporting multiple layer addition/removal of cells, to decouple the time-step constraints of the mesh motion and of the fluid dynamics, has been implemented as a C++ library to extend the already existing classes for dynamic mesh handling of the finite-volume, open-source CFD code OpenFOAM®. Other new features include automatic decomposition of large multiple region domains to preserve processors load balance with topological changes for parallel computations and additional tools for automatic preprocessing and case setup.

The dynamics and evolution of turbulent structures inside an engine-like geometry are investigated by means of Large Eddy Simulation. A simplified configuration consisting of a flat-top cylinder head with a fixed, axis-centered valve and low-speed piston has been simulated by the finite volume CFD code OpenFOAM®; the standard version of the software has been extended to include the compressible WALE subgrid-scale model, models for the generation of synthetic turbulence, some improvements to the mesh motion strategy and algorithms for LES data post-processing. In order to study both the initial transient and the quasi- steady operating conditions, ten complete engine cycles have been simulated. Phase and spatial averages have been performed over cycles three to ten in order to extract first and second moment of velocity; these quantities have then been used to validate the numerical procedure by comparison against experimental data.

In this study two different simulation approaches to large eddy simulation of spark-ignition engines are compared. Additionally, some of the simulation results are compared to experimentally obtained in-cylinder velocity measurements. The first approach applies unstructured grids with an automated meshing procedure, using OpenFoam and Lib-ICE with a mapping approach. The second approach applies the efficient in-house code PsiPhi on equidistant, Cartesian grids, representing walls by immersed boundaries, where the moving piston and valves are described as topologically connected groups of Lagrangian particles. In the experiments, two-dimensional two-component particle image velocimetry is applied in the central tumble plane of the cylinder of an optically accessible engine. Good agreement between numerical results and experiment are obtained by both approaches.

The Computational Chemistry Consortium (C3) is dedicated to leading the advancement of combustion and emissions modeling. The C3 cluster combines the expertise of different groups involved in combustion research aiming to refine existing chemistry models and to develop more efficient tools for the generation of surrogate and multi-fuel mechanisms, and suitable mechanisms for CFD applications. In addition to the development of more accurate kinetic models for different components of interest in real fuel surrogates and for pollutants formation (NOx, PAH, soot), the core activity of C3 is to develop a tool capable of merging high-fidelity kinetics from different partners, resulting in a high-fidelity model for a specific application. A core mechanism forms the basis of a gasoline surrogate model containing larger components including n-heptane, iso-octane, n-dodecane, toluene and other larger hydrocarbons.

The increasing diffusion of gasoline direct injection (GDI) engines requires a more detailed and reliable description of the phenomena occurring during the fuel injection process. As well known the thermal and fluid-dynamic conditions present in the combustion chamber greatly influence the air-fuel mixture process deriving from GDI injectors. GDI fuel sprays typically evolve in wide range of ambient pressure and temperatures depending on the engine load. In some particular injection conditions, when in-cylinder pressure is relatively low, flash evaporation might occur significantly affecting the fuel-air mixing process. In some other particular injection conditions spray impingement on the piston wall might occur, causing high unburned hydrocarbons and soot emissions, so currently representing one of the main drawbacks of GDI engines.

NH₃/urea SCR is a very effective and widely used technology for the abatement of NOx from diesel exhaust. The SCR mechanism is well understood and the catalyst behavior can be predicted by mathematical models - as long as operation above the temperature limit for AdBlue® injection is considered. The behavior below this level is less understood. During the first seconds up to minutes after cold start, complete NOx abatement can be observed over an SCR catalyst in test bench experiments, together with a significant increase in temperature after the converter (ca. 100 K). In this work these effects have been investigated over a monolith Cu-zeolite SCR catalyst. Concentration step experiments varying NO, NO₂ and H₂O have been carried out in lab scale, starting from room temperature. Further, the interaction of C₃H₆ and CO with NOx over the SCR has been investigated.