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Two advanced combustion models have been validated with the KIVA-3V Release 2 code in the context of two-stage combustion in a heavy duty diesel engine. The first model uses CHEMKIN to directly integrate chemistry in each computational cell. The second model accounts for flame propagation with the G-equation, and CHEMKIN predicts autoignition and handles chemistry ahead of and behind the flame front. A Damköhler number criterion was used in flame containing cells to characterize the local mixing status and determine whether heat release and species change should be a result of flame propagation or volumetric heat release. The purpose of this criterion is to make use of physical and chemical time scales to determine the most appropriate chemistry model, depending on the mixture composition and thermodynamic properties of the gas in each computational cell.

An integrated system model containing sub-models for diesel engine, emissions, and aftertreatment devices has been developed. The objective is to study engine-device and device-device interactions. The emissions sub-models used are for NOx and PM (particulate matter) prediction. The aftertreatment sub-models used include a diesel oxidation catalyst (DOC) and a diesel particulate filter (DPF). Controllers have also been developed to allow for transient simulations, active DPF regeneration, and prevention/control of runaway DPF regenerations. The integrated system-level model has been used to simulate DPF regeneration via exhaust fuel injection ahead of the DOC. In addition, the controller model can use intake throttling to assist in active DPF regeneration if needed. Regeneration studies have been done for both steady engine load and with load transients. High to low engine load transients are of particular interest because they can lead to runaway DPF regeneration.

A comprehensive system level modeling approach is used to understand the effects of the various physical actuators during diesel HCCI transients. Control concepts during transient operations are simulated using a set of actuators suitable for combustion control in diesel HCCI engines (intake valve actuation, injection timing, cooled EGR, intake boost pressure and droplet size). The impact of these actuating techniques on the overall engine performance is quantified by investigating the amount of actuation required, timing of actuation and the use of a combination of actuators. Combined actuation improved actuation space that can be used to phase combustion timing better and in extending the operating range. The results from transient simulations indicate that diesel HCCI operation would benefit from the combined actuation of intake valve closure, injection timing, boost and cooled EGR.

An integrated system model containing sub-models for a diesel engine, NOx and soot emissions, and a diesel particulate filter (DPF) has been used to simulate stead-state engine operating conditions. The simulation results have been used to investigate the effect of DPF loading and passive regeneration on engine performance and emissions. This work is the continuation of previous work done to create an overall diesel engine/exhaust system integrated model. As in the previous work, a diesel engine, exhaust system, engine soot emissions, and diesel particulate filter (DPF) sub-models have been integrated into an overall model using Matlab Simulink. For the current work new sub-models have been added for engine-out NOx emissions and an engine feedback controller. The integrated model is intended for use in simulating the interaction of the engine and exhaust aftertreatment components.

An overall diesel engine and aftertreatment system model has been created that integrates diesel engine, exhaust system, engine emissions, and diesel particulate filter (DPF) models using MATLAB Simulink. The 1-D engine and exhaust system models were developed using WAVE. The engine emissions model combines a phenomenological soot model with artificial neural networks to predict engine out soot emissions. Experimental data from a light-duty diesel engine was used to calibrate both the engine and engine emissions models. The DPF model predicts the behavior of a clean and particulate-loaded catalyzed wall-flow filter. Experimental data was used to validate this sub-model individually. Several model integration issues were identified and addressed. These included time-step selection, continuous vs. limited triggering of sub-models, and code structuring for simulation speed. Required time-steps for different sub models varied by orders of magnitude.

An integrated system based modeling approach has been developed to understand early Direct Injection (DI) Diesel Homogeneous Charge Compression Ignition (HCCI) process. GT-Power, a commercial one-dimensional (1-D) engine cycle code has been coupled with an external cylinder model which incorporates sub-models for fuel injection, vaporization, detailed chemistry calculations (Chemkin), heat transfer, energy conservation and species conservation. In order to improve the modeling accuracy, a multi-zone model has been implemented to account for temperature and fuel stratifications in the cylinder charge. The predictions from the coupled simulation have been compared with experimental data from a single cylinder Caterpillar truck engine modified for Diesel HCCI operation. A parametric study is conducted to examine the effect of combustion timing on four major control parameters. Overall the results show good agreement of the trends between the experiments and model predictions.

In this study, a one-equation LES sub-grid model from Menon, et al. [5] is used in simulating the diesel combustion process. In addition, based on the one-equation methodology of Menon et al., a new one-equation LES scalar transport model is formulated. These models allow for the turbulent transfer coefficients for both momentum and scalar flux to be determined independent of each other. The turbulent viscosity, μt, is determined as a function of the sub-grid kinetic energy, which is in turn determined from the one-equation model. The formulation for the scalar transfer coefficient, μs, is similar to that of the turbulent viscosity, yet is made to be consistent with scalar transport. Results for the LES momentum transfer are compared to experimental data of a backward facing step. This model, in conjunction with the LES scalar flux model, is verified by comparing with experimental data for a non-reacting turbulent jet.

Many commercial fuels, including gasoline and diesel, are multicomponent hydrocarbons. During the fuel vaporization process, the volatile components evaporate first, which dominate the region near the nozzle exit. The lately evaporated vapor with high penetration has high molecular weight. Thus, ignition and combustion of multicomponent fuels are not only influenced by distribution of fuel vapor mass fraction, but also by distribution of the components. This paper presents a spark ignition and combustion model with consideration of such multicomponent effects for GDI engines. Ignition kernel growth due to flame front propagation is considered in the model to eliminate the sensitivity of the numerical mesh size on the results.