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In order to acquire knowledge about temperature vs. equivalence ratio, T-ϕ, conditions in which emissions are formed and destroyed, T-ϕ parametric maps were constructed for: 1 Soot and soot precursors (C2H2) 2 Nitrogen oxides (NO and NO2) 3 Unburnt intermediates (CH2O, H2 and CO) 4 Important radicals (HO2 and OH) Each map was obtained by plotting data from a large number of simulations for various T-ϕ combinations in a zero-dimensional, 0D, closed Perfectly Stirred Reactor, PSR. Initially, the influences of elapsed reaction time, pressure and EGR level were examined, varying one parameter at a time. Then, since both the elapsed time and pressure change in an engine cycle, the maps were constructed according to engine pressure traces obtained from Computational Fluid Dynamics, CFD, simulations. Since the pressure is changing in elapsed time intervals the maps are called transient.

This paper describes an analysis of the Diesel Oil Surrogate (DOS) model used at Chalmers University (Sweden), including 70 species participating in 310 reactions, and subsequent improvements prompted by the model's systematic tendency to under-predict the combustion intensity in simulations of kinetically-driven combustion modes, e.g. Homogeneous Charged Compression Ignition (HCCI). Key bases of the model are the properties of a model Diesel fuel with the molecular formula C14H28. In the vapor phase, a global reaction decomposes the starting fuel, C14H28, into its constituent components; n-heptane (C7H16) and toluene (C7H8). This global reaction was modified to yield a higher n-heptane:toluene ratio, due to the importance of preserving an n-heptane-like cetane number.

In this study, the effects of varying the start of injection in a Free Piston Engine (FPE) have been investigated, using the KIVA-3V CFD code. In order to simulate the FPE the code has been modified by replacing the conventional crank shaft controlled piston motion by a piston motion profile calculated using a MATLAB/SIMULINK model. In this model, the piston motion is controlled by Newton's second law and the combustion process is represented by a simplified model based on ignition delay integrals and Wiebe functions. The results were tuned using predictions from the SENKIN software which are based on the detailed chemical kinetics mechanism of a Diesel oil surrogate represented by a blend of the main aliphatic (70% n-heptane) and aromatic (30% toluene) components. In order to help analyze the emission formation resulting from the HCCI/PPCI combustion modes in the engine, a special approach based on the temperature-equivalence ratio maps has been developed.

Computational simulations of the spray combustion and emissions formation processes in a heavy-duty DI diesel engine and in a small-bore DI diesel engine with a complicated injection schedule were performed by using the modified KIVA3V, rel. 2 code. Some initial parameter sets varying engine operating conditions, such as injection pressure, injector nozzle diameter, EGR load, were examined in order to evaluate their effects on the engine performance. Full-scale combustion chamber representations on 360-deg, Cartesian and polar, multiblock meshes with a different number of sprays have been used in the modelling unlike the conventional approach based on polar sector meshes covering the region around one fuel spray. The spray combustion phenomena were simulated using the detailed chemical mechanism for diesel fuel surrogate (69 species and 306 reactions).

This paper reports the numerical studies of self-ignition and early combustion process of n-heptane sprays under various diluted air conditions. The numerical simulations employ a detailed chemistry approach, coupled directly with the computational fluid dynamics (CFD). A “subgrid” Partially Stirred Reactor (PaSR) model has been developed to account for the turbulence-chemistry-interaction. This model has been implemented into the KIVA3V CFD code. A detailed chemical mechanism of reduced size (65 species and 273 elementary reactions) for the n-heptane fuel has been derived and applied to the simulations of spray combustion. The studies focus on sprays injected into a high-pressure constant-volume chamber. Firstly, the validation of the current numerical model has been carried out for the case in which the injection and initial conditions are similar to those used in the “classical” Aachen experiments (50bar and 800K).

This paper presents results of a parametric CFD modeling study of a prototype Free Piston Engine (FPE), designed for application in a series hybrid electric vehicle. Since the piston motion is governed by Newton's second law, accounting for the forces acting on the piston/translator, i.e. friction forces, electrical forces, and in-cylinder gas forces, having a high-level control system is vital. The control system changes the electrical force applied during the stroke, thus obtaining the desired compression ratio. Identical control algorithms were implemented in a MATLAB/SIMULINK model to those applied in the prototype engine. The ignition delay and heat release data used in the MATLAB/SIMULINK model are predicted by the KIVA-3V CFD code which incorporates detailed chemical kinetics (305 reactions among 70 species).