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A fundamentally based quasi-dimensional NOx emission model for spark ignition direct injection (SIDI) gasoline engines was developed. The NOx model consists of a chemical mechanism and three sub-models. The classical extended Zeldovich mechanism and N₂O pathway for NOx formation mechanism were employed as the chemical mechanism in the model. A characteristic time model for the radical species H, O and OH was incorporated to account for non-equilibrium of radical species during combustion. A model of homogeneity which correlates fundamental dimensionless numbers and mixing time was developed to model the air-fuel mixing and inhomogeneity of the charge. Since temperature has a dominant effect on NOx emission, a flame temperature correlation was developed to model the flame temperature during the combustion for NOx calculation. Measured NOx emission data from a single-cylinder SIDI research engine at different operating conditions was used to validate the NOx model.

Modeling ignition kernel development in spark ignition engines is crucial to capturing the sources of cyclic variability, both with RANS and LES simulations. Appropriate kernel modeling must ensure that energy transfer from the electrodes to the gas phase has the correct timing, rate and locations, until the flame surface is large enough to be represented on the mesh by the G-Equation level-set method. However, in most kernel models, geometric details driving kernel growth are missing: either because it is described as Lagrangian particles, or because its development is simplified, i.e., down to multiple spherical flames. This paper covers the geometric aspects of kernel development, which makes up the core of a Triangulated Lagrangian Ignition Kernel model. One (or multiple, if it restrikes) spark channel is initialized as a one-dimensional Lagrangian particle thread.

Homogeneous low temperature combustion is believed to be a promising approach to resolve the conflict of goals between high efficiency and low exhaust emissions. Disadvantageously for this kind of combustion, the whole process depends on chemical kinetics and thus is hard to control. Reactivity controlled combustion can help to overcome this difficulty. In the so-called RCCI (reactivity controlled compression ignition) combustion concept a small amount of pilot diesel that is injected directly into the combustion chamber ignites a highly diluted gasoline-air mixture. As the gasoline does not ignite without the diesel, the pilot injection timing and the ratio between diesel and gasoline can be used to control the combustion process. A phenomenological multi-zone model to predict RCCI combustion has been developed and validated against experimental and 3D-CFD data. The model captures the main physics governing ignition and combustion.

While Low Temperature Combustion (LTC) strategies such as Reactivity Controlled Compression Ignition (RCCI) exhibit high thermal efficiency and produce low NOx and soot emissions, low load operation is still a significant challenge due to high unburnt hydrocarbon (UHC) and carbon monoxide (CO) emissions, which occur as a result of poor combustion efficiencies at these operating points. Furthermore, the exhaust gas temperatures are insufficient to light-off the Diesel Oxidation Catalyst (DOC), thereby resulting in poor UHC and CO conversion efficiencies by the aftertreatment system. To achieve exhaust gas temperature values sufficient for DOC light-off, combustion can be appropriately phased by changing the ratio of gasoline to diesel in the cylinder, or by burning additional fuel injected during the expansion stroke through post-injection.

Diesel particulate samples were collected from a light duty engine operated at a single speed-load point with a range of biodiesel and conventional fuel blends. The oxidation reactivity of the samples was characterized in a laboratory reactor, and BET surface area measurements were made at several points during oxidation of the fixed carbon component of both types of particulate. The fixed carbon component of biodiesel particulate has a significantly higher surface area for the initial stages of oxidation, but the surface areas for the two particulates become similar as fixed carbon oxidation proceeds beyond 40%. When fixed carbon oxidation rates are normalized to total surface area, it is possible to describe the oxidation rates of the fixed carbon portion of both types of particulates with a single set of Arrhenius parameters. The measured surface area evolution during particle oxidation was found to be inconsistent with shrinking sphere oxidation.

Fundamental simulations in a quiescent cell under adiabatic conditions were made to understand the effect of temperature, equivalence ratio and the components of the recirculated exhaust gas, viz., CO2 and H2O, on the combustion of n-Heptane. Simulations were made in single phase in which evaporated n-Heptane was uniformly distributed in the domain. Computations were made for two different temperatures and four different EGR levels. CO2 or H2O or N2was used as EGR. It was found that the initiation of the main combustion process was primarily determined by two competing factors, i.e., the amount of initial OH concentration in the domain and the specific heat of the mixture. Further, initial OH concentration can be controlled by the manipulating the ambient temperature in the domain, and the specific heat capacity of the mixture via the mixture composition. In addition to these, the pre combustion and the subsequent post combustion can also be controlled via the equivalence ratio.

Three time integration schemes and four finite volume interpolation schemes for the convection term in momentum equation were tested under turbulent planar gas jet and Sandia non-reacting vaporizing Spray-H cases. The three time integration schemes are the first-order Euler implicit scheme, the second-order backward scheme, and the second-order Crank-Nicolson scheme. The four spatial interpolation schemes are cubic central, linear central, upwind, and vanLeer schemes. Velocity magnitude contour, centerline and radial mean velocity and Reynolds stress profiles for the planar turbulent gas jet case, and fuel vapor contour and liquid and vapor penetrations for the Diesel spray case predicted by the different numerical schemes were compared. The sensitivity of the numerical schemes to mesh resolution was also investigated. The non-viscosity based dynamic structure subgrid model was used. The numerical tool used in this study was OpenFOAM.

Large-eddy simulation (LES) is a useful approach for the simulation of turbulent flow and combustion processes in internal combustion engines. This study employs the ANSYS Forte CFD package and explores several key and fundamental components of LES, namely, the subgrid-scale (SGS) turbulence models, the numerical schemes used to discretize the transport equations, and the computational mesh. The SGS turbulence models considered include the classic Smagorinsky model and a dynamic structure model. Two numerical schemes for momentum convection, quasi-second-order upwind (QSOU) and central difference (CD), were evaluated. The effects of different computational mesh sizes controlled by both fixed mesh refinement and a solution-adaptive mesh-refinement approach were studied and compared. The LES models are evaluated and validated against several flow configurations that are critical to engine flows, in particular, to fuel injection processes.

A novel 2-zone combustion system was examined at medium load operation consistent with loads in the light duty vehicle drive cycle (7.6 bar BMEP and 2600 rev/min). Pressure rise rate and noise can limit the part of the engine map where pre-mixed combustion strategies such as HCCI or RCCI can be used. The present 2-zone pistons have an axial projection that divides the near TDC volume into two regions (inner and outer) joined by a narrow communication channel defined by the squish height. Dividing the near TDC volume provides a means to prepare two fuel-air mixtures with different ignition characteristics. Depending on the fuel injection timing, the reactivity of the inner or outer volume can be raised to provide an ignition source for the fuel-air mixture in the other, less reactive volume. Multi-dimensional CFD modeling was used to design the 2-zone piston geometry examined in this study.

The SCR Filter simultaneously reduces NOx and Particle Matter (PM) in the exhaust and is considered an effective way to meet emission regulations. By combining the function of a Diesel Particulate Filtration (DPF) and a Selective Catalytic Reduction (SCR), the SCR Filter reduces the complexity and cost of aftertreatment systems in diesel vehicles. Moreover, it provides an effective reaction surface and potentially reduces backpressure by combining two devices into one. However, unlike traditional flow through type SCR, the deNOx reactions in the SCR Filter can be affected by the particulate filtration and regeneration process. Additionally, soot oxidation can be affected by the deNOx process. A 1-D kinetic model for integrated DPF and NH3-SCR system over Cu-zeolite catalysts was developed and validated with experimental data in previous work[1].

A novel 2-zone combustion chamber concept (patent pending) was developed using multi-dimensional modeling. At minimum volume, an axial projection in the piston divides the volume into distinct zones joined by a communication channel. The projection provides a means to control the mixture formation and combustion phasing within each zone. The novel combustion system was applied to reactivity controlled compression ignition (RCCI) combustion in both light-duty and heavy-duty diesel engines. Results from the study of an 8.8 bar BMEP, 2600 RPM operating condition are presented for the light-duty engine. The results from the heavy-duty engine are at an 18.1 bar BMEP, 1200 RPM operating condition. The effect of several major design features were investigated including the volume split between the inner and outer combustion chamber volumes, the clearance (squish) height, and the top ring land (crevice) volume.

Numerical investigation is carried out to explore various strategies of combustion mode switching in a diesel engine operating at high power. Numerical results are compared with high power single cylinder (CAT 3401E) experiments for combustion phasing and emission characteristics. In this study CFD calculations are carried out using the KIVA CFD code with Large Eddy Simulation turbulence model and Direct Chemistry Solver sub-models. The advanced turbulence and combustion sub-models enabled more realistic visualization of the effects of single-cycle mode switching on in-cylinder flow structures, fuel-air mixing behavior and combustion phasing. Two circumstances of mode switch are presented in this study. Mode switches are performed from traditional High Temperature Combustion to early injection PCCI combustion and vice versa. In this investigation several aspects of combustion control are investigated.

Numerical investigation is carried out in order to explore diesel combustion using advanced turbulence and combustion models. Turbulence is modeled by one-equation non-viscosity dynamic structure Large Eddy Simulation (LES) model. Sub-grid fuel-air mixing is calculated using a dynamic scale similarity sub-grid scalar dissipation model to represent the local state of combustion. Fuel-air mixing time scale is used in order to determine the local in-homogeneity and rate of mixing of fuel and air. Diesel combustion is studied and compared with experimental results for high power diesel engine setup at different conditions representing both low temperature combustion and traditional high temperature combustion regimes. Further studies are carried out in diesel engine to investigate in-cylinder fuel air mixing and the onset of ignition.

Using non-viscosity dynamic structure Large Eddy Simulations (LES) turbulence model, spray=induced turbulence is investigated on a number of different Computational Fluid Dynamics (CFD) grids of varying mesh sizes (from 0.5 to 2 mm mesh). Turbulent flow is induced inside a quiescent chamber by liquid fuel spray and then left to decay after end of injection by virtue of its molecular viscosity and turbulent dissipation. Coherent structures (CS) of this turbulent flow are constructed and visualized using λ2 definition. Using CS, analysis is performed on the turbulent flow around the liquid spray jet. These CS from LES are then compared against the results from RANS calculations as well. The visualization of CS helps to explain the mechanism of fuel-air mixing obtained from LES results and its difference with RANS calculations.

To meet stringent emissions regulations, filtration devices are often used in engine exhaust systems to reduce particulate mass (PM) and particulate number (PN). Diesel particulate filters (DPFs) are a well-established means of reducing PM from diesel engines to meet emissions regulations. New emissions regulations will most likely require a similar technology on gasoline engines with direct injection, gasoline particulate filters (GPFs). Due to differences in the exhaust and particulate characteristics, the design and operation of GPFs and DPFs differ. In a DPF filtration is dominated by the buildup of a soot cake. Whereas in a GPF, much of the soot is trapped inside the porous substrate, or filter wall, where deep-bed filtration is dominant. Thus, an accurate model describing the porous filtration properties of GPF substrates is desired. The pore filtration model (PFM) was developed to more accurately model the deep-bed filtration process that occurs in a GPF.

A Three-Way Catalyst (TWC) model with global TWC kinetics for lean burn DISI engines were developed and validated. The model incorporates kinetics of hydrocarbons and carbon monoxide oxidations, NOx reduction, water-gas and steam reforming and oxygen storage. Ammonia (NH₃) and new nitrous oxide (N₂O) kinetics were added into the model to study NH₃ and N₂O formation in TWC systems. The model was validated over a wide range of engine operating conditions using various types of experimental data from a lean burn automotive SIDI engine. First, well-controlled time-resolved steady state data were used for calibration and initial model tests. In these steady state operations, the engine was switched between lean and rich conditions for NOx emission control. Then, the model was further validated using a large set of time-averaged steady state data. Temperature dependencies of NH₃ and N₂O kinetics in the TWC model were examined and well captured by the model.

Diesel engine combustion is simulated using Large Eddy Simulation (LES) with a multi-mode combustion (MMC) model. The MMC model is based on the combination of chemical kinetics, chemical equilibrium, and quasi-steady flamelet calculations in different local combustion regimes. The local combustion regime is identified by two combustion indices based on the local temperature and the extent of mixture homogeneity. The LES turbulence model uses the dynamic structure model (DSM) for sub-grid stresses. A new spray model in the LES context is used, and the Reynolds-averaged Navier-Stokes (RANS) based wall model is retained with the LES derived scales. These models are incorporated in the KIVA3V-ERC-Release 2 code for engine combustion simulations. A wide range of diesel engine operating conditions were chosen to validate the combustion model.