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Until recently, the application of the detailed chemistry approach as a predictive tool for engine modeling has been sort of a “taboo” for different reasons, mainly because of an exaggerated rigor to the chemistry/turbulence interaction modeling. In terms of this ideology, if the interaction cannot be simulated properly, the detailed chemistry approach makes no sense. The novelty of the proposed methodology is the coupling of a generalized partially stirred reactor, PaSR, model with the high efficiency numerics to treat detailed oxidation kinetics of hydrocarbon fuels. In terms of this approach, chemical processes are assumed to proceed in two successive steps: the reaction follows after the micro-mixing is completed on a sub-grid scale.

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.

A validation study of the numerical model of n-heptane spray combustion based on experimental constant-volume data [1] was done, by comparing auto-ignition delays for different pre - turbulence levels and initial temperatures, flame contours, and soot distributions under Diesel-like conditions. The basic novelty of the methodology developed in [2] - [3] is the implementation of the partially stirred reactor (PaSR) model accounting for detailed chemistry / turbulence interactions. It is based on the assumption that the chemical processes proceed in two successive steps: micro mixing, simulated on a sub - grid scale, is followed by the reaction act. When the all Re number RNG k-ε or LES models are employed, the micro mixing time can be consistently defined giving the combustion model a “well-closed” form incorporated into the KIVA-3V code.

In order to investigate the effects of split injection on emission formation and engine performance, experiments were carried out using a heavy duty single cylinder diesel engine. Split injections with varied dwell time and start of injection were investigated and compared with single injection cases. In order to isolate the effect of the selected parameters, other variables were kept constant. In this investigation no EGR was used. The engine was equipped with a common rail injection system with a piezo-electric injector. To interpret the observed phenomena, engine CFD simulations using the KIVA-3V code were also made. The results show that reductions in NOx emissions and brake specific fuel consumption were achieved for short dwell times whereas they both were increased when the dwell time was prolonged. No EGR was used so the soot levels were already very low in the cases of single injections.

Further restrictions on NOx emissions and the extension of current driving cycles for passenger car emission regulations to higher load operation in the near future (such as the US06 supplement to the FTP-75 driving cycle) requires attention to low emission combustion concepts in medium to high load regimes. One possibility to reduce NOx emissions is to increase the EGR rate. The combustion temperature-reducing effects of high EGR rates can significantly reduce NO formation, to the point where engine-out NOx emissions approach zero levels. However, engine-out soot emissions typically increase at high EGR levels, due to the reduced soot oxidation rates at reduced combustion temperatures and oxygen concentrations.

A comparative study on engine performance and emissions (NOx, soot) formation has been carried out for the Volvo D12C diesel engine fueled by Rapeseed Methyl Ester, RME and conventional diesel oil. The fuel and combustion models used in this paper are the modifications of those described in [1–3]. The numerical results for different load cases illustrate that for both fuels nearly 100% combustion efficiency was predicted; in the case of RME, the cumulative heat release was compared with the RME LHV, 37.2 kJ/g. To minimize soot and NOx emissions, 25–30% EGR levels depending on the engine loads and different injection timings were analyses. To illustrate the optimal engine performance conditions, a special technique based on the time-transient parametric ϕ-T maps [4] has been used.

To reproduce the Diesel fuel structural effect on soot formation, the diesel oil surrogate chemical model has been developed, validated using constant volume and applied to 3-D engine calculations using the KIVA-3V code. To better predict soot production, the presence of toluene, A1CH3, which is a product of benzene alkylation, in the reaction mechanism of n-heptane oxidation has been assumed. Soot formation as a solid phase has been simulated via a finite-rate transition of the gaseous precursor of soot, A2R5, to graphite. The final mechanism consists of 68 species and 278 reactions. Reasonable agreement of predictions with constant volume experimental data, on ignition delay times, flame appearance, accumulated amount of soot produced and soot cloud evolution has been achieved. Then, the fuel surrogate model has been applied to 3-D simulation (on a sectored mesh) of the Volvo NED5 DI Diesel engine.

With the advent of the KIVA-4 code which employs an unstructured mesh to represent the engine geometry, the gap in flexibility between commercial and research modeling software becomes more narrow. In this study, we tried to perform a full cycle simulation of a 4-stroke HD diesel engine represented by a highly boosted research IF (Isotta Fraschini) engine using the KIVA-4 code. The engine mesh including the combustion chamber, intake and exhaust valves and helical manifolds was constructed using optional O-Grids catching a complex geometry of the engine parts with the help of the ANSYS ICEM CFD software. The KIVA-4 mesh input was obtained by a homemade mesh converter which can read STAR-CD and CFX outputs. The simulations were performed on a full 360 deg mesh consisting of 300,000 unstructured hexahedral cells at BDC. The physical properties of the liquid fuel were taken corresponding to those of real diesel #2 oil.