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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.

A two dimensional CFD model has been developed to study the mechanism of soot deposition on the porous wall surface in a Diesel Particulate Filter (DPF). The goal is to improve understanding of the soot deposition and its interaction with the hydrodynamic behaviour of the device. The KIVA3V CFD code and pre-processor were modified to simulate a single channel in a DPF. The code was extended to solve the conservation equations in porous media materials, to account for the sticking of particles on a porous surface and to evaluate the increasing resistance to the flow as the soot inside the trap accumulates. The code is already configured to track Lagrangian particles and these were modified to represent the soot particles in the flow. The code pre-processor was modified to allow definition of a double-symmetric geometry and to specify porous cells.

In this study, a new combustion model for simulating the diesel combustion process is introduced. This model was verified by comparing numerical simulations to experimental data for a six-mode test cycle using a Caterpillar 3400 series engine. Additional comparisons are made for baseline cases for both a Caterpillar 3500 series engine and a Sandia optical access engine. In the combustion model, reactions limited by diffusion are modeled using a probability density function (PDF) model. For kinetically limited (premixed) combustion, an Arrhenius rate is used. To include effects of temperature fluctuations, this reaction rate is weighted by a temperature probability density function. A transport equation for premixed fuel was implemented to transition between the premixed and diffusion burning modes. The ratio of fuel in a computational cell that is premixed is used to determine the combustion mode.

To model sprays from pressure-swirl atomizers, the connection between the injector and the downstream spray must be considered. A new model for pressure-swirl atomizers is presented which assumes little knowledge of the internal details of the injector, but instead uses available observations of external spray characteristics. First, a correlation for the exit velocity at the injector exit is used to define the liquid film thickness. Next, the film must be modeled as it becomes a thin, liquid sheet and breaks up, forming ligaments and droplets. A linearized instability analysis of the breakup of a viscous, liquid sheet is used as part of the spray boundary condition. The spray angle is estimated from spray photographs and patternator data. A mass averaged spray angle is calculated from the patternator data and used in some of the calculations.

Diesel fuel spray characteristics are thought to depend on cavitation inside the fuel injector nozzles. These nozzles are very small and the fuel flow is very fast, making experimental observation very difficult. Numerical simulation of the two-phase flow is hindered by the severe density difference between the liquid and vapor as well as the existence of complex free surfaces. Recent experimental and numerical advances are now permitting visual observation of real-scale cavitating flow and two-dimensional simulation of the cavitating flow. In contrast to past work, we have chosen to study asymmetric nozzle flow. Asymmetry is more representative of real injector geometry than symmetric nozzles and may yield more reproducible results. Experimental runs of 1 mm long nozzles were made at upstream pressures up to 120 bar with downstream pressures from 1 to 50 bar. Photographs of planar asymmetric nozzles revealed complex transient structures on the fuel-vapor interface.

Using modified versions of the KIVA-II and KIVA-3 CFD codes, intake, compression, and combustion of a Caterpillar diesel engine was modeled. Seven variations on intake and two injection schemes were explored so that a detailed understanding of the effects of intake on various flow properties and their subsequent influence on combustion and emissions could be obtained. The results revealed that, in many cases, one of three factors: swirl ratio, temperature, and turbulence, was dominant in describing a combustion or emission behavior. In addition, stratification of fuel and oxygen was found to be a result of high swirl ratios. This had a profound impact on combustion and emissions, especially for split injection cases.

Variations in the in cylinder flow field which result from differences in the intake flow are known to have important effects on the performance and emissions behavior of diesel engines. The intake flow and combustion in a heavy duty DI diesel engine with a dual valve port have been simulated using the computational fluid dynamics code KIVA-3. Variation of the in-cylinder flow field has been achieved by varying the intake valve timing. Variations in the in-cylinder flow, including a range of length scales, degrees of inhomogeneity in a number of scalar and vector quantities, and the persistence of various flow structures, are compared, and their significance to combustion and emissions parameters are assessed. The interaction of fuel spray parameters, particularly spray-wall interaction with structures present in the flow field are evaluated.

The development of analytic models of diesel engine flow, combustion and subprocesses is described. The models are intended for use as design tools by industry for the prediction of engine performance and emissions to help reduce engine development time and costs. Part of the research program includes performing engine experiments to provide validation data for the models. The experiments are performed on a single-cylinder version of the Caterpillar 3406 engine that is equipped with state-of-the-art high pressure electronic fuel injection and emissions instrumentation. In-cylinder gas velocity and gas temperature measurements have also been made to characterize the flows in the engine.

The three-dimensional computer code, KIVA, is being modified to include state-of-the-art submodels for diesel engine flow and combustion. Improved and/or new submodels which have already been implemented are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NOx, and spray/wall impingement with rebounding and sliding drops. Progress on the implementation of improved spray drop drag and drop breakup models, the formulation and testing of a multistep kinetics ignition model and preliminary soot modeling results are described. In addition, the use of a block structured version of KIVA to model the intake flow process is described. A grid generation scheme has been developed for modeling realistic (complex) engine geometries, and initial computations have been made of intake flow in the manifold and combustion chamber of a two-intake-valve engine.

Intake port and cylinder flow have been modeled for a dual intake valve diesel engine. A block structured grid was used to represent the complex geometry of the intake port, valves, and cylinder. The calculations were made using a pre-release version of the KIVA-3 code developed at Los Alamos National Laboratories. Both steady flow-bench and unsteady intake calculations were made. In the flow bench configuration, the valves were stationary in a fully open position and pressure boundary conditions were implemented at the domain inlet and outlet. Detailed structure of the in-cylinder flow field set up by the intake flow was studied. Three dimensional particle trace streamlines reveal a complex flow structure that is not readily described by global parameters such as swirl or tumble. Streamlines constrained to lie in planes normal to the cylinder axis show dual vortical structures, which originated at the valves, merging into a single structure downstream.

A three-dimensional computer code (KIVA) is being modified to include state-of-the-art submodels for diesel engine flow and combustion: spray atomization, drop breakup/coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, soot and radiation and the intake flow process. Improved and/or new submodels which have been completed are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NOx, and spray/wall impingement with rebounding and sliding drops.