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In multidimensional modeling, fuels have been represented predominantly by single components, such as octane for gasoline. Several bicomponent studies have been performed, but these are still limited in their ability to represent real fuels, which are blends of as many as 300 components. This study outlines a method by which the fuel composition is represented by a distribution function of the fuel molecular weight. This allows a much wider range of compositions to be modeled, and only requires including two additional “species” besides the fuel, namely the mean and second moment of the distribution. This approach has been previously presented but is applied here to multidimensional calculations. Results are presented for single component droplet vaporization for comparison with single component fuel predictions, as well as results for a multicomponent gasoline and a diesel droplet.

The lift-off length plays a significant role in spray combustion as it influences the air entrainment upstream of the lift-off location and hence the soot formation. Accurate prediction of lift-off length thus becomes a prerequisite for accurate soot prediction in lifted flames. In the present study, KIVA-3v coupled with CHEMKIN, as developed at the Engine Research Center (ERC), is used as the CFD model. Experimental data from the Sandia National Labs. is used for validating the model predictions of n-heptane lift-off lengths and soot formation details in a constant volume combustion chamber. It is seen that the model predictions, in terms of lift-off length and soot mass, agree well with the experimental results for low ambient density (14.8 kg/m3) cases with different EGR rates (21% O2 - 8% O2). However, for high density cases (30 kg/m3) with different EGR rates (15% O2 - 8% O2) disagreements were found.

A continuous multi-component fuel evaporation model has been integrated with an improved G-equation combustion and detailed chemical kinetics model. The integrated code has been successfully used to simulate a gasoline direct injection engine. In the multi-component fuel model, the theory of continuous thermodynamics is used to model the properties and composition of multi-component fuels such as gasoline. In the improved G-equation combustion model a flamelet approach based on the G-equation is used that considers multi-component fuel effects. To precisely calculate the local and instantaneous residual which has a great effect on the laminar flame speed, a “transport equation residual” model is used. A Damkohler number criterion is used to determine the combustion mode in flame containing cells.

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.

A direct injection-gasoline (DI-G) system was applied to a heavy-duty diesel-type engine to study the effects of charge stratification on the performance of premixed compression ignited combustion. The effects of the fuel injection parameters on combustion phasing were of primary interest. The simultaneous effects of the fuel stratification on Unburned Hydrocarbon (UHC), Oxides of Nitrogen (NOx), Carbon Monoxide (CO), and smoke emissions were also measured. Engine tests were conducted with altered injection parameters covering the entire load range of normally aspirated Homogeneous Charge Compression Ignited (HCCI) combustion. Combustion phasing tests were also conducted at several engine speeds to evaluate its effects on a fuel stratification strategy.

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.

Diesel engine in-cylinder combustion processes have been studied using computational models with particular attention to spray development, vaporization, fuel/air mixture formation and combustion. A thermodynamic zero-dimensional cycle analysis program was used to determine initial conditions for the multidimensional calculations. A modified version of the time-dependent, three-dimensional computational fluid dynamics code KIVA-II was used for the computations, with a detailed treatment for the spray calculations and a simplified model for combustion. The calculations were used to obtain an understanding of the potential predictive capabilities of the models. It was found that there is a strong sensitivity of the results to numerical grid resolution. With proper grid resolution, the calculations were found to reproduce experimental data for non- vaporizing and vaporizing sprays. However, for vaporizing sprays with combustion, extremely fine grids are needed.

The simulation of combustion chemistry in internal combustion engines is challenging due to the need to include detailed reaction mechanisms to describe the engine physics. Computational times needed for coupling full chemistry to CFD simulations are still too computationally demanding, even when distributed computer systems are exploited. For these reasons the present paper proposes a time scale separation approach for the integration of the chemistry differential equations and applies it in an engine CFD code. The time scale separation is achieved through the estimation of a characteristic time for each of the species and the introduction of a sampling timestep, wherein the chemistry is subcycled during the overall integration. This allows explicit integration of the system to be carried out, and the step size is governed by tolerance requirements.

Due to concerns regarding pollutant and CO2 emissions, advanced combustion modes that can simultaneously reduce exhaust emissions and improve thermal efficiency have been widely investigated. The main characteristic of the new combustion strategies, such as HCCI and LTC, is that the formation of a homogenous mixture or a controllable stratified mixture is required prior to ignition. The major issue with these approaches is the lack of a direct method for the control of ignition timing and combustion rate, which can be only indirectly controlled using high EGR rates and/or lean mixtures. Homogeneous Charge Progressive Combustion (HCPC) is based on the split-cycle principle. Intake and compression phases are performed in a reciprocating external compressor, which drives the air into the combustor cylinder during the combustion process, through a transfer duct. A transfer valve is positioned between the compressor cylinder and the transfer duct.

In a recent study, quantitative measurements were presented of in-cylinder spatial distributions of mixture equivalence ratio in a single-cylinder light-duty optical diesel engine, operated with a non-reactive mixture at conditions similar to an early injection low-temperature combustion mode. In the experiments a planar laser-induced fluorescence (PLIF) methodology was used to obtain local mixture equivalence ratio values based on a diesel fuel surrogate (75% n-heptane, 25% iso-octane), with a small fraction of toluene as fluorescing tracer (0.5% by mass). Significant changes in the mixture's structure and composition at the walls were observed due to increased charge motion at high swirl and injection pressure levels. This suggested a non-negligible impact on wall heat transfer and, ultimately, on efficiency and engine-out emissions.

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.

Progress on the development and validation of a CFD model for diesel engine combustion and flow is described. A modified version of the KIVA code is used for the computations, with improved submodels for liquid breakup, drop distortion and drag, spray/wall impingement with rebounding, sliding and breaking-up drops, wall heat transfer with unsteadiness and compressibility, multistep kinetics ignition and laminar-turbulent characteristic time combustion models, Zeldovich NOx formation, and soot formation with Nagle Strickland-Constable oxidation. The code also considers piston-cylinder-liner crevice flows and allows computations of the intake flow process in the realistic engine geometry with two moving intake valves. Significant progress has been made using a modified RNG k-ε turbulence model, and a multicomponent fuel vaporization model and a flamelet combustion model have been implemented.

Studies on the effects of methyl soyate (biodiesel) blends with #2 diesel fuel in conjunction with various high pressure injection schemes were conducted on a single cylinder version of the Caterpillar 3400 series heavy duty diesel engine. Engine operating conditions at both high and low loads were investigated. Experiments were performed over a range of injection timings allowing particulate versus NOx trade-off curves to be generated. Phillips 66 certified #2 diesel fuel was used as the baseline; mixtures of 20% and 40% by volume of methyl soyate with the baseline fuel were used as the biodiesel blends. A blend of 20% by volume octadecene (a hydrocarbon fuel that is representative of the biodiesel hydrocarbon's composition but without the oxygen) in #2 diesel fuel was also investigated to help determine the mechanisms of emissions reduction.

A, three-dimensional CFD code, based on the KIVA code, is used to explore alternatives to conventional DI diesel engine designs for reducing NOx and soot emissions without sacrificing engine performance. The effects of combustion chamber design and fuel spray orientation are investigated using a new proposed GAMMA engine concept, and two new multiple injector combustion system (MICS) designs which utilize multiple injectors to increase gas motion and enhance fuel/air mixing in the combustion chamber. From these computational studies, it is found that both soot and nitrous oxide emissions can be significantly reduced without the need for more conventional emission control strategies such as EGR or ultra high injection pressure. The results suggest that CFD models can be a useful tool not only for understanding combustion and emissions production, but also for investigating new design concepts.

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.

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.