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In this paper, computation fluid dynamics (CFD) simulations are employed to describe the effect of flow parameters on the formation of soot and NOx in a heavy duty engine under low load and high load. The complexity of diesel combustion, specially when soot, NOx and other emissions are of interest, requires using a detailed chemical mechanism to have a correct estimation of temperature and species distribution. In this work, Multiple Representative Interactive Flamelets (MRIF) method is employed to describe the chemical reactions, ignition, flame propagation and emissions in the engine. A phenomenological model for soot formation, including soot nucleation, coagulation and oxidation with O2 and OH is incorporated into the flamelet combustion model. Different strategies for modelling NOx are chosen to take into account the longer time scale for NOx formation. The numerical results are compared with experimental data to show the validity of the model for the cases under study.

In partially premixed combustion engines high octane number fuels are injected into the cylinder during the late part of the compression cycle, giving the fuel and oxidizer enough time to mix into a desirable stratified mixture. If ignited by auto-ignition such a gas composition can react in a combustion mode dominated by ignition wave propagation. 3D-CFD modeling of such a combustion mode is challenging as the rate of fuel consumption can be dependent on both mixing history and turbulence acting on the reaction wave. This paper presents a large eddy simulation (LES) study of the effects of stratification in scalar concentration (enthalpy and reactant mass fraction) due to large scale turbulence on the propagation of reaction waves in PPC combustion engines. The studied case is a closed cycle simulation of a single cylinder of a Scania D13 engine running PRF81 (81% iso-octane and 19% n-heptane).

The combustion process in a homogeneous charge compression ignition (HCCI) engine is mainly governed by ignition wave propagation. The in-cylinder pressure, heat release rate, and the emission characteristics are thus largely driven by the chemical kinetics of the fuel. As a result, CFD simulation of such combustion process is very sensitive to the employed reaction mechanism, which model the real chemical kinetics of the fuel. In order to perform engine simulation with a range of operating conditions and cylinder-piston geometry for the design and optimization purpose, it is essential to have a chemical kinetic mechanism that is both accurate and computational inexpensive. In this paper, we report on the evaluation of several chemical kinetic mechanisms for methanol combustion, including large mechanisms and skeletal/reduced mechanisms.