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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.

The heavy-duty diesel engine industry is required to meet stringent emission standards. There is also the demand for more fuel efficient engines by the customer. In a previous study on an engine with variable intake valve closure timing, the authors found that an early single injection and accompanying premixed charge compression ignition (PCCI) combustion provides advantages in emissions and fuel economy; however, unacceptably high peak pressures and rates of pressure-rise impose a severe operating constraint. The use of a Pressure Reactive Piston assembly (PRP) as a means to limit peak pressures is explored in the present work. The concept is applied to a heavy-duty diesel engine and genetic algorithms (GA) are used in conjunction with the multi-dimensional engine simulation code KIVA-3V to provide an optimized set of operating variables.

A numerical study of the effects of injection parameters and operating conditions for diesel-fuel HCCI operation is presented with consideration of Variable Geometry Sprays (VGS). Methods of mixture preparation are explored that overcome one of the major problems in HCCI engine operation with diesel fuel and conventional direct injection systems, i.e., fuel loss due to wall impingement and the resulting unburned fuel. Low pressure injection of hollow cone sprays into the cylinder of a production engine with the spray cone angle changing during the injection period were simulated using the multi-dimensional KIVA-3V CFD code with detailed chemistry. Variation of the starting and ending spray angles, injection timing, initial cylinder pressure and temperature, swirl intensity, and compression ratio were explored. As a simplified case of VGS, two-pulse, hollow-cone sprays were also simulated.

Multidimensional models require physical inputs about the engine operating conditions. This paper explores the effects of unavoidable experimental uncertainties in the specification of important parameters such as the start of injection, duration of injection, amount of fuel injected per cycle, gas temperature at IVC, and the spray nozzle hole diameter. The study was conducted for a Caterpillar 3401 heavy-duty diesel engine for which extensive experimental data is available. The engine operating conditions include operation at high and low loads, with single and double injections. The computations were performed using a modified version of the KIVA3V code. Initially the model was calibrated to give very good agreement with experimental data in terms of trends and also to a lesser degree in absolute values, over a range of operating conditions and injection timings.

Engine design is a time consuming process in which many costly experimental tests are usually conducted. With increasing prediction ability of engine simulation tools, engine design aided by CFD software is being given more attention by both industry and academia. It is also of much interest to be able to use design information gained from an existing engine design of one size in the design of engines of other sizes to reduce design time and costs. Therefore it is important to study size-scaling relationships for engines over wide range of operating conditions. This paper presents CFD studies conducted for two production diesel engines - a light-duty GM-Fiat engine (0.5L displacement) and a heavy-duty Caterpillar engine (2.5L displacement). Previously developed scaling arguments, including an equal spray penetration scaling model and an extended, equal flame lift-off length scaling model were employed to explore the parametric scaling connections between the two engines.

A computational optimization study is performed for a heavy-duty direct-injection diesel engine using the recently developed KIVA-GA computer code. KIVA-GA performs full cycle engine simulations within the framework of a Genetic Algorithm (GA) global optimization code. Design fitness is determined using a one-dimensional gas -dynamics code for calculation of the gas exchange process, and a three-dimensional CFD code based on KIVA-3V for spray, combustion and emissions formation. The performance of the present Genetic Algorithm is demonstrated using a test problem with a multi-modal analytic function in which the optimum is known a priori. The KIVA-GA methodology is next used to simultaneously investigate the effects of six engine input parameters on emissions and performance for a high speed, medium load operating point for which baseline experimental validation data is available.

The strategy of variable Intake Valve Closure (IVC) timing, as a means to improve performance and emission characteristics, has gained much acceptance in gasoline engines; yet, it has not been explored extensively in diesel engines. In this study, genetic algorithms are used in conjunction with the multi-dimensional engine simulation code KIVA-3V to investigate the optimum operating variables for a typical heavy-duty diesel engine working with late IVC. The effects of start-of-injection timing, injection duration and exhaust gas recirculation were investigated along with the intake valve closure timing. The results show that appreciable reductions in NOx+HC (∼82%), soot (∼48%) and BSFC (∼7.4%) are possible through this strategy, as compared to a baseline diesel case of (NOx+HC) = 9.48g/kW-hr, soot = 0.17 g/kW-hr and BSFC = 204 g-f/kW-hr. The additional consideration of double injections helps to reduce the high rates of pressure rise observed in a single injection scheme.

A multi-objective genetic algorithm coupled with the KIVA3V release 2 code was used to optimize the piston bowl geometry, spray targeting, and swirl ratio levels of a high speed direct injected (HSDI) diesel engine for passenger cars. Three modes, which represent full-, mid-, and low-loads, were optimized separately. A non-dominated sorting genetic algorithm II (NSGA II) was used for the optimization. High throughput computing was conducted using the CONDOR software. An automated grid generator was used for efficient mesh generation with variable geometry parameters, including open and reentrant bowl designs. A series of new spray models featuring reduced mesh dependency were also integrated into the code. A characteristic-time combustion (CTC) model was used for the initial optimization for time savings. Model validation was performed by comparison with experiments for the baseline engine at full-, mid-, and low-load operating conditions.

This study considers combustion processes in a heavy-duty diesel engine at various low emissions operating conditions. The start-of-injection timings varied from -20 to 5 ATDC while the EGR levels varied from 6% to 44%. At certain conditions, HCCI-like combustion characteristics were observed under which low emissions could be achieved. The numerical model used is an improved version of KIVA-3V that can simulate spray breakup and mixture autoignition over a wide range of conditions. The ignition and combustion processes were simulated using both detailed and standard (simplified) chemistry models. Model results show that engine combustion and emissions can be predicted reasonably well under the current conditions. The trends of NOx and soot emissions with respect to the injection timings and EGR levels were well captured. However, it was found that the model over-predicted the NOx emissions in certain early injection cases.

A radiation model based on the Discrete Ordinates Method (DOM) was incorporated into the KIVA3v multidimensional code to study the effects of soot and radiation on diesel engine performance at high load. A thermophoretic soot deposition model was implemented to predict soot concentrations in the near-wall region, which was found to affect radiative heat flux levels. Realistic, non-uniform combustion chamber wall surface temperature distributions were predicted using a finite-element-based heat conduction model for the engine metal components that was coupled with KIVA3v in an iterative scheme. The more accurate combustion chamber wall temperatures enhanced the accuracy of both the radiation and soot deposition models as well as the convective heat transfer model. For a basline case, (1500 rev/min, 100% load) it was found that radiation can account for as much as 30% of the total wall heat loss and that soot deposition in each cycle is less than 3% of the total in-cylinder soot.

A phenomenological nozzle flow model has been developed and implemented in both the FIRE and KIVA-II codes to simulate the effects of the nozzle geometry on fuel injection and spray processes. The model takes account of the nozzle passage inlet configuration, flow losses and cavitation, the injection pressure and combustion chamber conditions and provides initial conditions for multidimensional spray modeling. The discharge coefficient of the injector, the effective injection velocity and the initial drop or injected liquid ‘blob’ sizes are calculated dynamically during the entire injection event. The model was coupled with the wave breakup model to simulate experiments of non-vaporizing sprays under diesel conditions. Good agreement was obtained in liquid penetration, spray angle and drop size (Sauter Mean Diameter). The integrated model was also used to model combustion in a Cummins single-cylinder optical engine with good agreement.

In the present work the three-dimensional KIVA CFD code was used to simulate the combustion process in a HSDI diesel engine. State-of-the-art models, including the KH-RT spray breakup model, the RNG k-ε turbulence model, and a n-heptane reduced chemistry including reduced GRI NOx mechanism were used. The performances of two combustion models, KIVA-CHEMKIN and GAMUT (KIVA-CHEMKIN-G), coupled with 2-step and multi-step phenomenological soot models were compared. The numerical results were compared with available experimental data obtained from an optically accessible HSDI engine and good agreement was obtained. To assess the effects of the in-cylinder flow field on combustion and emissions, off-centered swirl flows were also considered. In these studies, the swirl center was initialized at different positions in the chamber for different cases to simulate the effects of different intake flow arrangements.

The present study uses a numerical model to investigate the effects of flow turbulence on premixed iso-octane HCCI engine combustion. Different levels of in-cylinder turbulence are generated by using different piston geometries, namely a disc-shape versus a square-shape bowl. The numerical model is based on the KIVA code which is modified to use CHEMKIN as the chemistry solver. A detailed reaction mechanism is used to simulate the fuel chemistry. It is found that turbulence has significant effects on HCCI combustion. In the current engine setup, the main effect of turbulence is to affect the wall heat transfer, and hence to change the mixture temperature which, in turn, influences the ignition timing and combustion duration. The model also predicts that the combustion duration in the square bowl case is longer than that in the disc piston case which agrees with the measurements.

Experimental data is used in conjunction with multi-dimensional modeling in a modified version of the KIVA-3V code to characterize the emissions behavior of a high-speed, direct-injection diesel engine. Injection pressure and EGR are varied across a range of typical small-bore diesel operating conditions and the resulting soot-NOx tradeoff is analyzed. Good agreement is obtained between experimental and modeling trends; the HSDI engine shows increasing soot and decreasing NOx with higher EGR and lower injection pressure. The model also indicates that most of the NOx is formed in the region where the bulk of the initial heat release first takes place, both for zero and high EGR cases. The mechanism of NOx reduction with high EGR is shown to be primarily through a decrease in thermal NOx formation rate.

Detailed chemical kinetics was implemented in the KIVA-3V multidimensional CFD code to study the combustion process in Homogeneous Charge Compression Ignition (HCCI) engines. The CHEMKIN code was implemented such that the chemistry and flow solutions were coupled. Detailed reaction mechanisms were used to simulate the fuel chemistry of ignition and combustion. Effects of turbulent mixing on the reaction rates were also considered. The model was validated using the experimental data from two modified heavy-duty diesel engines, including a Volvo engine and a Caterpillar engine operated at the HCCI mode. The results show that good levels of agreement were obtained using the present KIVA/CHEMKIN model for a wide range of engine conditions, including various fuels, injection systems, engine speeds, and EGR levels. Ignition timings were predicted well without the need to adjust any kinetic constants.

The combustion and emissions of a diesel/natural gas dual-fuel engine are studied. Available engine experimental data demonstrates that the dual-fuel configuration provides a potential alternative to diesel engine operation for reducing emissions. The experiments are compared to multi-dimensional model results. The computer code used is based on the KIVA-3V code and consists of updated sub-models to simulate more accurately the fuel spray atomization, auto-ignition, combustion and emissions processes. The model results show that dual-fuel engine combustion and emissions are well predicted by the present multi-dimensional model. Significant reduction in NOx emissions is observed in both the experiments and simulations when natural gas is substituted for diesel fuel. The HC emissions are under predicted by numerical model as the natural gas substitution is increased.

An improved discrete particle ignition kernel (DPIK) model and the G-equation combustion model have been developed and implemented in KIVA-3V. In the ignition model, the spark ignition kernel growth is tracked by Lagrangian markers and the spark discharge energy and flow turbulence effects on the ignition kernel growth are considered. The predicted ignition kernel size was compared with the available measurements and good agreement was obtained. Once the ignition kernel grows to a size where the turbulent flame is fully developed, the level set method (G-equation) is used to track the mean turbulent flame propagation. It is shown that, by ignoring the detailed turbulent flame brush structure, fine numerical resolution is not needed, thus making the models suitable for use in multidimensional modeling of SI engine combustion.

A multi-dimensional Computational Fluid Dynamics (CFD) code with detailed chemistry, the KIVA-CHEMKIN-GA code, was employed in this study, where Genetic Algorithms (GA) were used to optimize heavy-duty diesel engine operating parameters. A two-stage combustion (TSC) concept was explored to optimize the combustion process at high speed (1737 rev/min) and medium load (57% load). Two combustion modes were combined in this concept. The first stage is ideally Homogeneous Charge Compression Ignition (HCCI) combustion and the second stage is diffusion combustion under high temperature and low oxygen concentration conditions. This can be achieved for example by optimization of two-stage combustion using multiple injection or sprays from two different injectors.

Combustion in an HSDI diesel engine using different injectors to realize low emissions is modeled using detailed chemical kinetics in this study. Emission characteristics of the engine are investigated using injectors that have different included spray angles, ranging from 50 to 130 degrees. The engine was operated under PCCI conditions featuring early injection times, high EGR levels and high intake temperatures. The Representative Interactive Flamelet (RIF) model was used with the KIVA code for combustion and emission modeling. Modeling results show that spray targeting plays an important role in determining the in-cylinder mixture distributions, which in turn affect the resulting pollutant emissions. High soot emissions are observed for injection conditions that result in locally fuel rich regions due to spray impingement normal to the piston surface.

A computer model that is able to predict the occurrence of knock in spark ignition engines has been developed and implemented into the KIVA-3V code. Three major sub-models were used to simulate the overall process, namely the spark ignition model, combustion model, and end-gas auto-ignition models. The spark ignition and early flame development is modeled by a particle marker technique to locate the flame kernel. The characteristic-time combustion model is applied to simulate the propagation of the regular flame. The autoignition chemistry in the end-gas was modeled by a reduced chemical kinetics mechanism that is based on the Shell model. The present model was validated by simulating the experimental data in three different engines. The spark ignition and the combustion models were first validated by simulating a premixed Caterpillar engine that was converted to run on propane. Computed cylinder pressure agrees well with the experimental data.