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The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

A numerical simulation and optimization study was conducted for a medium speed direct injection diesel engine. The engine's operating characteristics were first matched to available experimental data to test the validity of the numerical model. The KIVA-3V ERC CFD code was then modified to allow independent spray events from two rows of nozzle holes. The angular alignment, nozzle hole size, and injection pressure of each set of nozzle holes were optimized using a micro-genetic algorithm. The design fitness criteria were based on a multi-variable merit function with inputs of emissions of soot, NOx, unburned hydrocarbons, and fuel consumption targets. Penalties to the merit function value were used to limit the maximum in-cylinder pressure and the burned gas temperature at exhaust valve opening. The optimization produced a 28.4% decrease in NOx and a 40% decrease in soot from the baseline case, while giving a 3.1% improvement in fuel economy.

Vaporization models for continuous multi-component liquid sprays and liquid wall films are presented using a continuous thermodynamics formulation. The models were implemented in the KIVA3V-Release 2.0 code. The models are first applied to clarify the characteristics of vaporizing continuous multi-component liquid wall films and liquid drops, and then applied to numerically analyze a practical continuous multi-component fuel - gasoline behavior in a 4-valve port fuel injection (PFI) gasoline engine under warm conditions. Corresponding computations with single-component fuels are also performed and presented for comparison purposes. As compared to the results of its single-component counterpart, the vaporizing continuous multi-component fuel drop displays a larger vaporization rate initially and a smaller vaporization rate as it becomes more and more dominated by heavy species.

A study of statistical optimization of engine operating parameters was conducted. The objective of the study was to develop a strategy to efficiently optimize operating parameters of diesel engines with multiple injection and EGR capabilities. 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. The goal of the present study was to optimize the control parameters to reduce emissions and brake specific fuel consumption. An instrumented single-cylinder heavy-duty diesel engine was used with a prototype mechanically actuated (cam driven) fuel injection system.

An electronically controlled Caterpillar single-cylinder oil test engine (SCOTE) was used to study diesel combustion. The SCOTE retains the port, combustion chamber, and injection geometry of the production six cylinder, 373 kW (500 hp) 3406E heavy-duty truck engine. The engine was equipped with an electronic unit injector and an electronically controlled common rail injector that is capable of multiple injections. An emissions investigation was carried out using a six-mode cycle simulation of the EPA Federal Transient Test Procedure. The results show that the SCOTE meets current EPA mandated emissions levels, despite the higher internal friction imposed by the single-cylinder configuration. NOx versus particulate trade-off curves were generated over a range of injection timings for each mode and results of heat release calculations were examined, giving insight into combustion phenomena in current “state of the art” heavy-duty diesel engines.

A study was performed that takes into account both turbulence and chemical kinetic effects in the numerical simulation of diesel engine combustion in order to better understand the importance of their respective roles at changing operating conditions. An approach was developed which combines the simplicity and low computational and storage requests of the laminar-and-turbulent characteristic-time model with a detailed combustion chemistry model based on well-known simplified mechanisms. Assuming appropriate simplifications such as steady state or equilibrium for most of the radicals and intermediate species, the kinetics of hydrocarbons can be described by means of three overall steps. This approach was integrated in the KIVA-II code. The concept was validated and applied to a single-cylinder, heavy-duty engine. The simulation covers a wide range of operating conditions.

Combustion simulations utilizing the characteristic time combustion model have been performed for four DI diesel engines ranging in size from heavy-duty to large-bore designs. It has been found that the pre-factor to the turbulent characteristic time acts as a scaling parameter between the engines. This phenomenon is explained in terms of the non-equilibrium behavior of the turbulent time and length scales, as is encountered in the rapidly distorting, spray-induced flows of DI diesel engines. In fact, the equilibrium assumption between turbulence production and dissipation, which forms the basis for the employed k-ε-type turbulence models, does not hold in these situations. For such flows, the real turbulent dissipation time scale is locally proportional to the turbulent characteristic time scale which is determined by a typical eddy turnover time.

An experimental study of luminous combustion in a modern diesel engine was performed to investigate the effect of injection parameters on NOX and soot formation via flame temperature and soot KL factor measurements. The two-color technique was applied to 2-D soot luminosity images and area-averaged soot radiation signals to obtain spatially and temporally resolved flame temperature and soot KL factor. The imaging system used for this study was based on a wide-angle endoscope that was mounted in the cylinder head and allowed different views of the combustion chamber. The experiments were carried out on a single-cylinder 2.4 liter D.I. diesel engine equipped with an electronically controlled common-rail injection system. Operating conditions were 1600 rpm and 75% load. The two-color results confirm that retarding the injection timing causes lower flame temperatures and NOX emissions but increased soot formation, independent of injection strategy.

Droplet vaporization models that are currently employed in simulating diesel engine sprays are based on a quasi-steady, low-pressure formulation. This formulation does not adequately represent many high-pressure effects, such as non-ideal gas behavior, solubility of gases into liquid, pressure dependence of liquid- and gas-phase thermophysical properties, and transient liquid transport in the droplet interior. More importantly, the quasi-steady assumption becomes increasingly questionable as the ambient pressure approaches and /or exceeds the fuel critical pressure. In the present study, a high-pressure, quasi-steady vaporization model is developed. Except for the quasi-steady assumption that is retained in the model, it incorporates all the other high-pressure effects.

A correction for the turbulence dissipation, based on non-equilibrium turbulence considerations from rapid distortion theory, has been derived and implemented in combination with the RNG k - ε model in a KIVA-based code. This model correction has been tested and compared with the standard RNG k - ε model for the compression and the combustion phase of two heavy duty DI diesel engines. The turbulence behavior in the compression phase shows clear improvements over the standard RNG k - ε model computations. In particular, the macro length scale is consistent with the corresponding time scale and with the turbulent kinetic energy over the entire compression phase. The combustion computations have been performed with the characteristic time combustion model. With this dissipation correction no additional adjustments of the turbulent characteristic time model constant were necessary in order to match experimental cylinder pressures and heat release rates of the two engines.