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A kinetic carbon monoxide (CO) emission model is developed to simulate engine out CO emissions for conventional diesel combustion. The model also incorporates physics governing CO emissions for low temperature combustion (LTC). The emission model will be used in an integrated system level model to simulate the operation and interaction of conventional and low temperature diesel combustion with aftertreatment devices. The Integrated System Model consists of component models for the diesel engine, engine-out emissions (such as NOx and Particulate Matter), and aftertreatment devices (such as DOC and DPF). The addition of CO emissions model will enhance the capability of the Integrated System Model to predict major emission species, especially for low temperature combustion. In this work a CO emission model is developed based on a two-step global kinetic mechanism [8].

Two different types of mesh used for diesel combustion with the KIVA-4 code are compared. One is a well established conventional KIVA-3 type polar mesh. The other is a non-polar mesh with uniform size throughout the piston bowl so as to reduce the number of cells and to improve the quality of the cell shapes around the cylinder axis which can contain many fuel droplets that affect prediction accuracy and the computational time. This mesh is specialized for the KIVA-4 code which employs an unstructured mesh. To prevent dramatic changes in spray penetration caused by the difference in cell size between the two types of mesh, a recently developed spray model which reduces mesh dependency of the droplet behavior has been implemented. For the ignition and combustion models, the Shell model and characteristic time combustion (CTC) model are employed.

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.

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.

Computational fluid dynamics of gas-fueled large-bore spark ignition engines with pre-chamber ignition can speed up the design process of these engines provided that 1) the reliability of the results is not affected by poor meshing and 2) the time cost of the meshing process does not negatively compensate for the advantages of running a computer simulation. In this work a flame propagation model that runs with arbitrary hybrid meshes was developed and coupled with the KIVA4-MHI CFD solver, in order to address these aims. The solver follows the G-Equation level-set method for turbulent flame propagation by Tan and Reitz, and employs improved numerics to handle meshes featuring different cell types such as hexahedra, tetrahedra, square pyramids and triangular prisms. Detailed reaction kinetics from the SpeedCHEM solver are used to compute the non-equilibrium composition evolution downstream and upstream of the flame surface, where chemical equilibrium is instead assumed.

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.

A computational, three-dimensional approach to investigate the behavior of diesel soot particles in the micro-channels of wall-flow Diesel Particulate Filters is presented. The KIVA3V CFD code, already extended to solve the 2D conservation equations for porous media materials [1], has been enhanced to solve in 2-D and 3-D the governing equations for reacting and compressible flows through porous media in non axes-symmetric geometries. With respect to previous work [1], a different mathematical approach has been followed in the implementation of the numerical solver for porous media, in order to achieve a faster convergency as source terms were added to the governing equations. The Darcy pressure drop has been included in the Navier-Stokes equations and the energy equation has been extended to account for the thermal exchange between the gas flow and the porous wall.

Although turbocharging can extend the high load limit of low temperature combustion (LTC) strategies such as reactivity controlled compression ignition (RCCI), the low exhaust enthalpy prevalent in these strategies necessitates the use of high exhaust pressures for improving turbocharger efficiency, causing high pumping losses and poor fuel economy. To mitigate these pumping losses, the divided exhaust period (DEP) concept is proposed. In this concept, the exhaust gas is directed to two separate manifolds: the blowdown manifold which is connected to the turbocharger and the scavenging manifold that bypasses the turbocharger. By separately actuating the exhaust valves using variable valve actuation, the exhaust flow is split between two manifolds, thereby reducing the overall engine backpressure and lowering pumping losses. In this paper, results from zero-dimensional and one-dimensional simulations of a multicylinder RCCI light-duty engine equipped with DEP are presented.

The paper reports the application of a look-up table approach within a LES combustion modelling framework for the prediction of knock limit in a highly downsized turbocharged DISI engine. During experimental investigations at the engine test bed, high cycle-to-cycle variability was detected even for relatively stable peak power / full load operations of the engine, where knock onset severely limited the overall engine performance. In order to overcome the excessive computational cost of a direct chemical solution within a LES framework, the use of look-up tables for auto-ignition modelling perfectly fits with the strict mesh requirements of a LES simulation, with an acceptable approximation of the actual chemical kinetics. The model here presented is a totally stand-alone tool for autoignition analysis integrated with look-up table reading from detailed chemical kinetic schemes for gasoline.

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.

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.

Fundamental simulations using DNS type procedures were used to investigate the ignition, combustion characteristics and the lift-off trends of a spatially evolving turbulent liquid fuel jet. In particular, the spatially evolving n-Heptane spray injected in a two-dimensional rectangular domain with an engine like environment was investigated. The computational results were compared to the experimental observations from an optical engine as reported in the literature. It was found that an initial fuel rich combustion downstream of the spray tip is followed by diffusion combustion. Investigations were also made to understand the effects of injection velocity, ambient temperature and the droplet radius on the lift-off length. For each of these parameters three different values in a given range were chosen. For both injection velocity and droplet radius, an increase resulted in a near linear increase in the lift-off length.

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.

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.

System level modeling was used to develop a suitable control strategy for Diesel Homogeneous Charge Compression Ignition (HCCI) transient operation. Intake temperature and pressure, engine speed, engine load, cylinder wall temperature, exhaust gas recirculation, etc. all significantly affect combustion phasing generating a scenario where simple ECU mapping techniques prove inadequate. Two-stage fuels such as diesel fuel pose additional challenges for accurate combustion control. Low-temperature cool-flame chemical heat release can significantly alter the thermodynamic state of the trapped gaseous mixture and hence combustion phasing. Operator and environmentally induced transients can rapidly alter combustion phasing parameters suggesting a need for model-based control. A model-based control strategy featuring the identified essential physics has been developed to control diesel HCCI combustion phasing through transient operation.

An integrated system model containing sub-models for a multi-cylinder diesel engine, NOx and soot(PM) emissions, diesel oxidation catalyst (DOC) and diesel particulate filter (DPF) has been developed to simulate the engine and aftertreatment systems at transient engine operating conditions. The objective of this work is two-fold; ensure correct implementation of the integrated system level model and apply the integrated model to understand the fuel economy trade-off for various DPF regeneration strategies. The current study focuses on a 1.9L turbocharged diesel engine and its exhaust system. The engine model was built in GT-Power and validated against experimental data at full-load conditions. The DPF model is calibrated for the current engine application by matching the clean DPF pressure drop for different mass flow rates. Load, boost pressure, speed and EGR controllers are tuned and linked with the current engine model.

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.

A novel algebraic similarity model for subgrid scalar dissipation rate has been developed as part of the Large Eddy Simulation (LES) package KIVA3V-LES for diesel engine study. The model is proposed from an a priori study using Direct Numerical Simulation (DNS) of forced isotropic turbulence. In the a posteriori test, fully resolved turbulent passive scalar field measurements are used to validate the model in actual engine flows. For reason of the length limit by SAE and the specific interest in engine applications, only a prior test and a posteriori test in engine flows are included in this paper. A posteriori tests in isotropic cube flow, turbulent round jet and flame cases will be presented in separate papers. An engine LES simulation of multi consecutive cycles was performed in this study.

System-level models containing engine model, emission models, and aftertreatment device models have been developed. All the sub-models have been developed separately and come from a variety of different sources. A new phenomenological CO model recently has been coupled into the previous integrated model. The emission models, including PM (particulate matter), NOx, and CO are also calibrated from experimental data. Some modification has been added to improve the integrated model and accept different aftertreatment device models for future work. The objective of this work is to study the DPF (Diesel Particulate Filter) regeneration during transient operating conditions using the integrated model. The integrated system-level model is used to studying the dynamic performance between engine and aftertreatment system. In this study, the calibrated emission models are validated at transient operating conditions.

This work integrated a CA10 (crank angle at 10% heat release) controller into an integrated engine, emissions and aftertreatment model platform. Two CA10 phasing targets were chosen to analyze how advancing (or retarding) the target combustion phasing (CA10) affect the formation of NO and CO. The effect of intake valve closure (IVC) timing, which is the control mechanism for maintaining the target combustion phasing, on the cylinder trapped mass, and hence the charge temperature after compression is detailed. Finally, the relation between combustion phasing and the blow-down process leading to the exhaust process is discussed. Retarding the target combustion phasing by two degrees saw a 330 K drop in compressed charge temperature and a quadrupled reduction of peak NO emitted. Peak NO₂ emission reduced three times on account of the same. However, an increase in CO emission was observed when the combustion phasing was advanced.