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The accurate prediction of pollutant emissions generated by IC engines is a key aspect to guarantee the respect of the emission regulation legislation. This paper describes the approach followed by the authors to achieve a strict numerical coupling of two different 1D modeling tools in a co-simulation environment, aiming at a reliable calculation of engine-out and tailpipe emissions. The main idea is to allow an accurate 1D simulation of the unsteady flows and wave motion inside the intake and exhaust systems, without resorting to an over-simplified geometrical discretization, and to rely on advanced thermodynamic combustion models and kinetic sub-models for the calculation of cylinder-out emissions. A specific fluid dynamic approach is then used to track the chemical composition along the exhaust duct-system, in order to evaluate the conversion efficiency of after-treatment devices, such as TWC, GPF, DPF, DOC, SCR and so on.

The transient heat transfer behavior of an automotive catalytic converter has been simulated with OpenFOAM in 1D. The model takes into consideration the gas-solid convective heat transfer, axial wall conduction and heat capacity effects in the solid phase, but also the chemical reactions of CO oxidation, based on simplified Arrhenius and Langmuir-Hinshelwood approaches. The associated parameters are the results of data in literature tuned by experiments. Simplified cases of constant flow rates and gas temperatures in the catalyst inflow have been chosen for a comprehensive analysis of the heat and mass transfer phenomena. The impact of inlet flow temperatures and inlet flow rates on the heat up characteristics as well as in the CO emissions have been quantified. A dimensional analysis is proposed and dimensionless temperature difference and space-time coordinates are introduced.

To achieve low tailpipe NOX emissions in Heavy-Duty engines, the rapid warm-up of the exhaust aftertreatment system (EAS) needs to be assisted by the adoption of new technologies to reduce engine-out emissions and increase the EAS conversion efficiency. Engine measures like cylinder deactivation, retarded start of the main injection, late intake valve closing, intake throttling and elevated idle speed can substantially increase the available exhaust gas enthalpy and temperature at the expense of additional fuel as has been shown in the literature. On the other hand, the exhaust system can be optimized in terms of hardware and controls, which is nowadays strongly supported by simulation. However, these simulation studies typically assume a fixed engine hardware and calibration and thus fixed engine-out simulation boundary conditions. Moving forward to tougher and real-world oriented legislation, the fixed cycle and engine-out boundary condition becomes insufficient.

Stoichiometric natural gas (CNG) engines are an attractive solution for heavy-duty vehicles considering their inherent advantage in emitting lower CO2 emissions compared to their Diesel counterparts. Additionally, their aftertreatment system can be simpler and less costly as NOx reduction is handled simultaneously with CO/HC oxidation by a Three-Way Catalyst (TWC). The conversion of methane over a TWC shows a complex behavior, significantly different than non-methane hydrocarbons in stoichiometric gasoline engines. Its performance is maximized in a narrow A/F window and is strongly affected by the lean/rich cycling frequency. Experimental and simulation results indicate that lean-mode efficiency is governed by the palladium’s oxidation state while rich conversion is governed by the gradual formation of carbonaceous compounds which temporarily deactivate the active materials.