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Lagrangian-Droplet and Eulerian-Fluid (LDEF) based spray models are widely used in engine and combustion system computations. Numerical grid and time-step-dependencies of Discrete Droplet Lagrangian spray models have been identified by previous researchers [1, 2]. The two main sources of grid-dependency are due to errors in predicting the droplet-gas relative velocity, and errors in describing droplet-droplet collision and coalescence processes. For reducing grid-dependency due to the relative velocity effects, results from gas jet theory are introduced along with a Lagrangian collision model [1, 3] and applied to model diesel sprays. The improved spray model is implemented in the engine simulation code KIVA-3V [4] and is tested under various conditions, including constant volume chambers and various engine geometries with vaporizing and combusting sprays with detailed chemistry.

This paper concerns a study of an innovative concept to control HCCI combustion in diesel-fueled engines. The concept consists in forming a pre-compressed homogeneous charge outside the cylinder and in gradually admitting it into the cylinder during the combustion process. This new combustion concept has been called Homogeneous Charge Progressive Combustion (HCPC). CFD analysis was conducted to understand the feasibility of the HCPC concept and to identify the parameters that control and influence this novel HCCI combustion. A CFD code with detailed kinetic chemistry (AVL FIRE) was used in the study. Results in terms of pressure, heat release rate, temperature, and emissions production are presented that demonstrate the validity of the HCPC combustion concept.

This paper presents three approaches that can be used for efficient multidimensional simulations of HCCI and DI engine combustion. The first approach uses a newly developed Adaptive Multi-grid Chemistry (AMC) model. The AMC model allows a fine mesh to be used to provide adequate resolution for the spray simulation, while dramatically reducing the number of cells that need to be computed by the chemistry solver. The model has been implemented into the KIVA3v2-CHEMKIN code and it was found that computer time was reduced by a factor of ten for HCCI cases and a factor of three to four for DI cases without losing prediction accuracy. The simulation results were compared with experimental data obtained from a Honda engine operated with n-heptane under HCCI conditions for which directly measured in-cylinder temperature and H2O mole fraction data are available.

A multi-objective genetic algorithm methodology was applied to a heavy-duty diesel engine at three different operating conditions of interest. Separate optimizations were performed over various fuel injection nozzle parameters, piston bowl geometries and swirl ratios (SR). Different beginning of injection (BOI) timings were considered in all optimizations. The objective of the optimizations was to find the best possible fuel economy, NOx, and soot emissions tradeoffs. The input parameter ranges were determined using design of experiment methodology. A non-dominated sorting genetic algorithm II (NSGA II) was used for the optimization. For the optimization of piston bowl geometry, an automated grid generator was used for efficient mesh generation with variable geometry parameters. The KIVA3V release 2 code with improved ERC sub-models was used. The characteristic time combustion (CTC) model was employed to improve computational efficiency.

The objective of this investigation is to optimize a light-duty diesel engine in order to minimize soot, NOx, carbon monoxide (CO), unburned hydrocarbon (UHC) emissions and peak pressure rise rate (PPRR) while improving fuel economy in a low oxygen environment. Variables considered are the injection timings, fractional amount of fuel per injection, half included spray angle, swirl, and stepped-bowl piston geometry. The KIVA-CHEMKIN code, a multi-dimensional computational fluid dynamics (CFD) program with detailed chemistry is used and is coupled to a multi-objective genetic algorithm (MOGA) along with an automated grid generator. The stepped-piston bowl allows more options for spray targeting and improved charge preparation. Results show that optimal combinations of the above variables exist to simultaneously reduce emissions and fuel consumption. Details of the spray targeting were found to have a major impact on the combustion process.

The present work proposes a methodology for diesel engine development using multi-dimensional CFD and computer optimization. A multi-objective genetic algorithm coupled with the KIVA3V Release 2 code was used to optimize a high speed direct injection (HSDI) diesel engine for passenger car applications. The simulations were conducted using high-throughput computing with the CONDOR system. An automated grid generator was used for efficient mesh generation with 11 variable piston bowl geometry parameters. The first step in the procedure was to search for an optimal nozzle and piston bowl design. In this case, spray targeting, swirl ratio, and piston bowl shape were optimized separately for two full-load cases using simpler efficient combustion models (the characteristic time scale model and the shell ignition model). The optimal designs from the two optimizations were then validated using a combustion model with detailed chemistry (KIVA-CHEMKIN model and ERC n-heptane mechanism).

A set of scaling laws were previously developed to guide the transfer of combustion system designs between diesel engines of different sizes [ 1 , 2 , 3 , 4 ]. The intent of these scaling laws was to maintain geometric similarity of key parameters influencing diesel combustion such as in-cylinder spray penetration and flame lift-off length. The current study explores the impact of design constraints or limitations on the application of the scaling laws and the effect this has on the ability to replicate combustion and emissions. Multi dimensional computational fluid dynamics (CFD) calculations were used to evaluate the relative impact of engine design parameters on engine performance under full load operating conditions. The base engine was first scaled using the scaling laws. Design constraints were then applied to assess how such constraints deviate from the established scaling laws and how these alter the effectiveness of the scaling effort.

Detailed knowledge of hydrocarbon fuel combustion chemistry has grown tremendously in recent years. However, the gap between detailed chemistry and computational fluid dynamics (CFD) remains, because of the high cost of solving detailed chemistry in a large number of computational cells. This paper presents the results of applying a suite of techniques aimed at closing this gap. The techniques include use of a surrogate blend optimizer and a guided mechanism reduction methodology, as well as advanced methods for efficiently and accurately coupling the pre-reduced kinetic models with the multidimensional transport equations. The advanced methods include dynamic adaptive chemistry (DAC) and dynamic cell clustering (DCC) algorithms.

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.

The effect of injection rate shape on spray evolution and emission characteristics is investigated and a methodology for active control of fuel injection is proposed. Extensive validation of advanced vaporization and primary jet breakup models was performed with experimental data before studying the effects of systematic changes of injection rate shape. Excellent agreement with the experiments was obtained for liquid and vapor penetration lengths, over a broad range of gas densities and temperatures. Also the predicted flame lift-off lengths of reacting diesel fuel sprays were in good agreement with the experiments. After the validation of the models, well-defined rate shapes were used to study the effect of injection rate shape on liquid and vapor penetration, flame lift-off lengths and emission characteristics.

The recently developed KIVA-GA computer code was used in the current study to optimize the combustion chamber geometry of a heavy -duty diesel truck engine and a high-speed direct-injection (HSDI) small-bore diesel engine. KIVA-GA performs engine simulations within the framework of a genetic algorithm (GA) global optimization code. Design fitness was determined using a modified version of the KIVA-3V code, which calculates the spray, combustion, and emissions formation processes. The measure of design fitness includes NOx, unburned HC, and soot emissions, as well as fuel consumption. The simultaneous minimization of these factors was the ultimate goal. The KIVA-GA methodology was used to optimize the engine performance using nine input variables simultaneously. Three chamber geometry related variables were used along with six other variables, which were thought to have significant interaction with the chamber geometry.

Practical diesel fuel sprays under high-pressure conditions were investigated by using multidimensional modeling combined with continuous thermodynamics and high-pressure multicomponent fuel vaporization models. Transport equations, which are general for the moments of the distributions and independent of the distribution function, are derived for the continuous system consisting of the both gas and liquid phases. A general treatment of the vapor-liquid equilibrium (VLE) is conducted, and the Peng-Robinson Equation of State (EOS) is used to find the surface equilibrium composition. Relations for the properties of the continuous species are formulated. The KH-RT model is used for spray breakup prediction. The fuel droplets are assumed to be well mixed with uniform temperature and composition within each droplet. The turbulent flow field is calculated using the RNG k -ε turbulence model.

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.

A study of the combined use of split injections, EGR, and flexible boosting was conducted. Statistical optimization of the engine operating parameters was accomplished using a new response surface method. The objective of the study was to demonstrate the emissions and fuel consumption capabilities of a state-of-the-art heavy -duty diesel engine when using split injections, EGR, and flexible boosting over a wide range of engine operating conditions. Previous studies have indicated that multiple injections with EGR can provide substantial simultaneous reductions in emissions of particulate and NOx from heavy-duty diesel engines, but careful optimization of the operating parameters is necessary in order to receive the full benefit of these combustion control techniques. Similarly, boost has been shown to be an important parameter to optimize. During the experiments, an instrumented single-cylinder heavy -duty diesel engine was used.

Simultaneous two-component measurements of gas velocity and multi-dimensional numerical simulation are employed to characterize the evolution of the in-cylinder turbulent flow structure in a re-entrant bowl-in-piston engine under motored operation. The evolution of the mean flow field, turbulence energy, turbulent length scales, and the various terms contributing to the production of the turbulence energy are correlated and compared, with the objectives of clarifying the physical mechanisms and flow structures that dominate the turbulence production and of identifying the source of discrepancies between the measured and simulated turbulence fields. Additionally, the applicability of the linear turbulent stress modeling hypothesis employed in the k-ε model is assessed using the experimental mean flow gradients, turbulence energy, and length scales.

The present study investigated HCCI combustion in a heavy-duty diesel engine both experimentally and numerically. The engine was equipped with a hollow-cone pressure-swirl injector using gasoline direct injection. Characteristics of HCCI combustion were obtained by very early injection with a heated intake charge. Experimental results showed an increase in NOx emission and a decrease in UHC as the injection timing was retarded. It was also found that optimization can be achieved by controlling the intake temperature together with the start-of-injection timing. The experiments were modeled by using an engine CFD code with detailed chemistry. The CHEMKIN code was implemented into KIVA-3V such that the chemistry and flow solutions were coupled. The model predicted ignition timing, cylinder pressure, and heat release rates reasonably well. The NOx emissions were found to increase as the injection timing was retarded, in agreement with experimental results.

In-cylinder fluid velocity is measured in an optically accessible, fired HSDI engine at idle. The velocity field is also calculated, including the full induction stroke, using multi-dimensional fluid dynamics and combustion simulation models. A detailed comparison between the measured and calculated velocities is performed to validate the computed results and to gain a physical understanding of the flow evolution. Motored measurements are also presented, to clarify the effects of the fuel injection process and combustion on the velocity field evolution. The calculated mean in-cylinder angular momentum (swirl ratio) and mean flow structures prior to injection agree well with the measurements. Modification of the mean flow by fuel injection and combustion is also well captured.

Cycle-resolved analysis of velocity data obtained in the re-entrant bowl of a fired high-;speed, direct-injection diesel engine, demonstrates an unambiguous, approximately 100% increase in late-cycle turbulence levels over the levels measured during motored operation. Model predictions of the flow field, obtained employing RNG k-ε turbulence modeling in KIVA-3V, do not capture this increased turbulence. A combined experimental and computational approach is taken to identify the source of this turbulence. The results indicate that the dominant source of the increased turbulence is associated with the formation of an unstable distribution of mean angular momentum, characterized by a negative radial gradient. The importance of this source of flow turbulence has not previously been recognized for engine flows. The enhanced late-cycle turbulence is found to be very sensitive to the flow swirl level.

A micro-genetic algorithm (μGA) optimization method was applied to a heavy-duty, direct-injected diesel engine via an automated test bed system. The goal of this application was to demonstrate the feasibility and advantages of automated optimization experiments. With the genetic algorithm, no user input was required other than the factors of interest and their allowable ranges. This means that once the routine was initiated, it was essentially run undisturbed until a preset objective level was reached or a preset number of generations had been run. The automated μGA was successfully demonstrated at all points of the six-mode transient cycle simulation, excluding idle. To accomplish the automated experiments, an automated testing system was developed around a Caterpillar single-cylinder diesel engine.