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Multi-dimensional computational efforts using comprehensive and skeletal kinetics have been made to investigate the cool flame region in HCCI combustion. The work was done in parallel to an experimental study that showed the impact of the negative temperature coefficient and the cool flame on the start of combustion using different fuels, which is now the focus of the simulation work. Experiments in a single cylinder CFR research engine with n-butane and a primary reference fuel with an octane number of 70 (PRF 70) were modeled. A comparison of the pressure and heat release traces of the experimental and computational results shows the difficulties in predicting the heat release in the cool flame region. The behavior of the driving radicals for two-stage ignition is studied and is compared to the behavior for a single-ignition from the literature. Model results show that PRF 70 exhibits more pronounced cool flame heat release than n-butane.

A particle swarm optimization (PSO) algorithm was implemented with engine testing in order to accelerate the engine development process. The PSO algorithm is a stochastic, population-based evolutionary optimization algorithm. In this study, PSO was used to reduce exhaust emissions while maintaining high fuel efficiency. A merit function was defined to help reduce multiple emissions simultaneously. Engine operations using both single-injection and double-injection strategies were optimized. The present PSO algorithm was found to be very effective in finding the favorable operating conditions for low emissions. The optimization usually took 40-70 experimental runs to find the most favorable operating conditions under the constraints specified in the present testing. High EGR levels, small pilot amount, and late main injection were suggested by the PSO. Multiple emissions were reduced simultaneously without a compromise in the brake specific fuel consumption.

The objective of this work was to identify methods of reliably predicting optimum operating conditions in an experimental compression ignition engine using multiple injections. Abstract modeling offered an efficient way to predict large volumes data, when compared with simulation, although the initial cost of constructing such models can be large. This work aims to reduce that initial cost by adding knowledge about the favorable network structures and training rules which are discovered. The data were gathered from a high pressure common rail direct injection turbocharged compression ignition engine utilizing a high EGR configuration. The range of design parameters were relatively large; 100 MPa - 240 MPa for fuel pressure, up to 62% EGR using a modified, long-route, low pressure EGR system, while the pilot timing, main timing, and pilot ratio were free within the safe operating window for the engine.

Accelerated computational optimization of a diesel engine calibration was achieved by combining Support Vector Regression models with the Particle Swarm Optimization routine. The framework utilized a full engine simulation as a surrogate for a real engine test with test parameters closely resembling a typical 4.5L diesel engine. Initial tests were run with multi-modal test problems including Rastragin's, Bukin's, Ackely's, and Schubert's functions which informed the ML model tuning hyper-parameters. To improve the performance of the engine the hybrid approach was used to optimize the Fuel Pressure, Injection Timing, Pilot Timing and Fraction, and EGR rate. Nitrogen Oxides, Particulate Matter, and Specific Fuel Consumption are simultaneously reduced. As expected, optimums reflect a late injection strategy with moderately high EGR rates.

One of the most critical elements in diesel engine design is the selection and matching of the fuel injection system. The injection largely controls the combustion process, and with it also a wide range of related issues, such as: fuel efficiency, emissions, startability, load acceptance (acceleration) and combustion noise. Simulation has been a valuable tool for the engine design engineer to predict and optimize key parameters of the fuel injection system. This is a problem that spans a number of subsystems. Historically, simulations of these subsystems (hydraulics, gas dynamics, engine performance and 3-D CFD cylinder modeling) have typically been done in isolation. Recently, a simulation tool has been developed, which models the different subsystems in an integrated manner. This simulation tool combines a 1-D simulation tool for modeling of hydraulic and gas dynamics systems, with 3-D CFD code for modeling the in-cylinder combustion and emissions.

The accurate prediction of fuel sprays is critical to engine combustion and emissions simulations. A fine computational mesh is often required to better resolve fuel spray dynamics and vaporization. However, computations with a fine mesh require extensive computer time. This study developed a methodology that uses a locally refined mesh in the spray region. Such adaptive mesh refinement will enable greater resolution of the liquid-gas interaction while incurring only a small increase in the total number of computational cells. The present study uses an h-refinement adaptive method. A face-based approach is used for the inter-level boundary conditions. The prolongation and restriction procedure preserves conservation of properties in performing grid refinement/coarsening. The refinement criterion is based on the mass of spray liquid and fuel vapor in each cell. The efficiency and accuracy of the present adaptive mesh refinement scheme is demonstrated.

Effects of high injection pressure and converging nozzles on combustion and emissions of a multi-cylinder diesel engine were investigated. The engine uses a common-rail injection system that allows a maximum injection pressure of 200 MPa. Various injection pressures were tested to explore the benefits of high injection pressure in achieving low exhaust emissions in diesel engines. Injectors used in this study include conventional straight-hole nozzles and converging nozzles with a K factor of 3. Parametric studies were performed including variations in injection timings, number of injection pulses and EGR levels. It was found that low temperature combustion can be achieved by using high EGR with 1) late single injection or 2) double injection with an early pilot and a late main injection. Investigations revealed that high injection pressures significantly reduced soot emissions with an increase in NOx emissions under conventional injection timing ranges.

The simultaneous reduction of particulate matter (PM) and nitrous oxides (NOx) emissions form diesel exhaust is key to current research activities. Although various technologies have been introduced to reduce emissions from diesel engines, the in-cylinder reduction of PM and NOx due to improved combustion mechanisms will continue to be an important field in research and development of modern diesel engines. Furthermore increasing prices and question over the availability of diesel fuel derived from crude oil has introduced a growing interest. Hence it is most likely that future diesel engines will be operated on pure biodiesel and/or blends of biodiesel and crude oil-based diesel. In this study the performance of different biodiesel blends under low temperature combustion conditions (i.e., high exhaust gas recirculation and advanced fuel injection schemes) was investigated.

Particulate matters, nitrogen oxides, and carbon monoxides emissions from large utility generators using diesel/biodiesel blends were measured. Stack measurements were performed on-site in a number of power plants by following the standard procedure of US EPA. The test engines were chosen to represent typical diesel engines used for electricity generation in the state. Tests were performed using the regular diesel fuel (B0), 10%, 20% and 100% biodiesel blends (B10, B20, B100). Test results showed that particulate matters and carbon monoxides decreased significantly as biodiesel content increases, whereas nitrogen oxides increased. Test results are consistent with other studies using mobile engines in the literature. Note that arbitrary changes in fuel or engine operating conditions are prohibited in power generation industry. Results of this study have been used by the state government to allow the use of biodiesel blends in stationary generators.

Various mixtures of ammonia (NH₃) and dimethyl ether (DME) were tested in a diesel engine to explore the feasibility of using ammonia as an alternative, non-carbon fuel to mitigate greenhouse gas emissions. The original diesel fuel injection system was replaced with a new system for injecting ammonia-DME mixtures into the cylinder directly. The injection pressure was maintained at approximately 206 bar for various fuel mixtures including 100% DME, 60%DME-40%NH₃, and 40%DME-60%NH₃ (by weight). As ammonia content was increased in the fuel mixture, the injection timing needed to be advanced to ensure successful engine operation. It was found that cycle-to-cycle variation increased significantly when 40%DME-60%NH₃ was used. In the meantime, combustion of 40%DME-60%NH₃ exhibited HCCI characteristics as the injection timing ranged from 90 to 340 before top-dead-center (BTDC). Emissions data show that soot emissions remained extremely low for the fuel mixtures tested.

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.

An image acquisition-and-processing camera system was developed for in-cylinder diagnostics of a single-cylinder heavy duty diesel engine. The engine was equipped with an electronically-controlled common-rail fuel injection system that allowed both single and split (multiple) injections to be studied. The imaging system uses an endoscope to acquire luminous flame images from the combustion chamber and ensures minimum modification to the engine geometry. The system also includes an optical linkage, an image intensifier, a CID camera, a frame grabber, control circuitry and a computer. Experiments include both single and split injection cases at 90 MPa and 45 MPa injection pressures at 3/4 load and 1600 rev/min with simulated turbocharging. For the single injection at high injection pressure (90 MPa) the results show that the first luminous emissions from the ignition zone occur very close to the injector exit followed by rapid luminous flame spreading.

The causes of Unburned Hydrocarbon (UHC) emissions from a premixed compression ignited engine were investigated for both homogeneous and stratified charge conditions. A fast response Flame Ionization Detector (fast FID) was used to provide cycle-resolved UHC exhaust emission measurements. These fast FID UHC measurements were coupled with numerical flow simulation results to provide quantitative and qualitative insight into the sources of UHC emissions. The combined results were used to evaluate the effects of engine load, local gas temperatures, fuel stratification, and crevice quenching on UHC emissions.

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.

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.

Numerical simulations were performed to investigate the combustion process in the Premixed Compression Ignition (PCI) regime in a light-duty diesel engine. The CHEMKIN code was implemented into an updated KIVA-3V release 2 code to simulate combustion and emission characteristics using reduced chemistry. The test engine used for validation data was a single cylinder version of a production 1.9L four-cylinder HSDI diesel engine. The engine operating condition considered was 2,000 rev/min and 5 bar BMEP load. Because high EGR levels are required for combustion retardation to make PCI combustion possible, the EGR rate was set at a relatively high level (40%) and injection timing sweeps were considered. Since injection timings were very advanced, impingement of the fuel spray on the piston bowl wall was unavoidable. To model the effects of fuel films on exhaust emissions, a drop and wall interaction model was implemented in the present code.

A level set G-equation model has been developed to model the combustion process in spark ignition engines. The spark ignition process was modeled using an improved version of the Discrete Particle Ignition Kernel (DPIK) model. The two models were implemented into the KIVA-3V code to simulate SI engine combustion under both premixed and direct injection conditions. In the ignition model, the ignition kernel growth is tracked by Lagrangian markers, and spark discharge energy and flow turbulence effects on the kernel growth are considered. Once the ignition kernel grows to a size where the turbulent flame is fully developed, the G-equation model is used to track the mean turbulent flame evolution. When combined with a characteristic time scale combustion model, the models were also used to simulate stratified combustion in DISI engines, where the triple flame structure must be considered.

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.

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 dual fuel engine simulation model was formulated and the combustion process of a diesel/natural gas dual fuel engine was studied using an updated KIVA-3V Computational Fluid Dynamic (CFD) code. The dual fuel engine ignition and combustion process is complicated since it includes diesel injection, atomization and ignition, superimposed with premixed natural gas combustion. However, understanding of the combustion process is critical for engine performance optimization. Starting from a previously validated Characteristic-Timescale diesel combustion model, a natural gas combustion model was implemented and added to simulate the ignition and combustion process in a dual fuel bus engine. Available engine test data were used for validation of both the diesel-only and the premixed spark-ignition operation regimes. A new formulation of the Characteristic-Timescale combustion model was then introduced to allow smooth transition between the combustion regimes.