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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.

A droplet vaporization model has been developed for use in high pressure spray modeling. The model is a modification of the common Spalding vaporization model that accounts for the effects of high pressure on phase equilibrium, transport properties, and surface tension. The new model allows for a nonuniform temperature within the liquid by using a simple 2-zone model for the droplet. The effects of the different modifications are tested both for the case of a single vaporizing droplet in a quiescent environment as well as for a high pressure spray using the KIVA II code. Comparisons with vaporizing spray experiments show somewhat improved spray penetration predictions. Also, the effect of the vaporization model on diesel combustion predictions was studied by applying the models to simulate the combustion process in a heavy duty diesel engine. In this case the standard and High Pressure vaporization models were found to give similar heat release and emissions results.

A transport equation residual model incorporating refined G-equation and detailed chemical kinetics combustion models has been developed and implemented in the ERC KIVA-3V release2 code for Gasoline Direct Injection (GDI) engine simulations for better predictions of flame propagation. In the transport equation residual model a fictitious species concept is introduced to account for the residual gases in the cylinder, which have a great effect on the laminar flame speed. The residual gases include CO2, H2O and N2 remaining from the previous engine cycle or introduced using EGR. This pseudo species is described by a transport equation. The transport equation residual model differentiates between CO2 and H2O from the previous engine cycle or EGR and that which is from the combustion products of the current engine cycle.

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.

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, 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.

Two different types of mesh used for diesel combustion with the KIVA-4 code are compared. One is a well established conventional KIVA-3 type polar mesh. The other is a non-polar mesh with uniform size throughout the piston bowl so as to reduce the number of cells and to improve the quality of the cell shapes around the cylinder axis which can contain many fuel droplets that affect prediction accuracy and the computational time. This mesh is specialized for the KIVA-4 code which employs an unstructured mesh. To prevent dramatic changes in spray penetration caused by the difference in cell size between the two types of mesh, a recently developed spray model which reduces mesh dependency of the droplet behavior has been implemented. For the ignition and combustion models, the Shell model and characteristic time combustion (CTC) model are employed.

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.

Multidimensional modeling is used to study air-fuel mixing in a direct-injection spark-ignition engine. Emphasis is placed on the effects of the start of fuel injection on gas/spray interactions, wall wetting, fuel vaporization rate and air-fuel ratio distributions in this paper. It was found that the in-cylinder gas/spray interactions vary with fuel injection timing which directly impacts spray characteristics such as tip penetration and spray/wall impingement and air-fuel mixing. It was also found that, compared with a non-spray case, the mixture temperature at the end of the compression stroke decreases substantially in spray cases due to in-cylinder fuel vaporization. The computed trapped-mass and total heat-gain from the cylinder walls during the induction and compression processes were also shown to be increased in spray cases.

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.

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 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.

Improved atomization is important in fuel injection applications since atomization influences fuel-air mixing and vaporization rates. The present paper explores the use of low pressure gas/air injection and methods to achieve a dispersed two-phase flow to enhance the atomization process. Gas-driven twin-fluid atomization has been achieved by combining X-ray lithographic/micro-machining technology to mechanically disperse a driving gas into a liquid to be sprayed. This technique forces the gas through a designed pattern of micron sized holes thereby yielding a field of micro-bubbles immediately upstream of the < I mm. diameter discharge orifice. Precise control of both uniformity of hole diameter and inter-hole spacing is critical to producing a well dispersed bubbly flow. The results show that the method of gas injection influences the liquid breakup process. Results are given for steady-flow atomization with low pressure injection into ambient air.

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline injected using a triple-pulse strategy in the low temperature combustion (LTC) regime is presented. This work aims to extend the operation ranges for a light-duty diesel engine, operating on gasoline, that have been identified in previous work via extended controllability of the injection process. The single-cylinder engine (SCE) was operated at full load (16 bar IMEP, 2500 rev/min) and computational simulations of the in-cylinder processes were performed using a multi-dimensional CFD code, KIVA-ERC-Chemkin, that features improved sub-models and the Chemkin library. The oxidation chemistry of the fuel was calculated using a reduced mechanism for primary reference fuel combustion chosen to match ignition characteristics of the gasoline fuel used for the SCE experiments.

Many recent studies have shown that the Reactivity Controlled Compression Ignition (RCCI) combustion strategy can achieve high efficiency with low emissions. However, it has also been revealed that RCCI combustion is difficult at high loads due to its premixed nature. To operate at moderate to high loads with gasoline/diesel dual fuel, high amounts of EGR or an ultra low compression ratio have shown to be required. Considering that both of these approaches inherently lower thermodynamic efficiency, in this study natural gas was utilized as a replacement for gasoline as the low-reactivity fuel. Due to the lower reactivity (i.e., higher octane number) of natural gas compared to gasoline, it was hypothesized to be a better fuel for RCCI combustion, in which a large reactivity gradient between the two fuels is beneficial in controlling the maximum pressure rise rate.

A three-dimensional computer code (KIVA) is being modified to include state-of-the-art submodels for diesel engine flow and combustion: spray atomization, drop breakup/coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, soot and radiation and the intake flow process. Improved and/or new submodels which have been completed are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NOx, and spray/wall impingement with rebounding and sliding drops.

Various single and split injection schemes are studied to provide a better understanding of fuel distribution during cold starting in DI diesel engines. Improved spray-wall interaction, fuel film and multicomponent vaporization models are used to analyze the combustion processes. Better combustion characteristics are obtained for the split injection schemes than with a single injection. An analysis of the fuel impingement processes identifies the mechanisms involved in producing the differences in vaporization and combustion of the fuel. A greater amount of splashing occurred for the split injections compared to a single injection. This behavior is attributed to the decreased film thickness (less dissipation of impingement energy), the decreased impingement area (obtained by increasing the impingement Weber number), and most importantly, the reduced frequency of drop impingement.

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 combustion mechanism in a Compression Ignition Homogeneous Charge (CIHC) engine was studied. Previous experiments done on a four-stroke CIHC engine were modeled using the KIVA-II code with modifications to the combustion, heat transfer, and crevice flow submodels. A laminar and turbulence characteristic time combustion model that has been used for spark-ignited engine studies was extended to allow predictions of ignition. The rate of conversion from one chemical species to another is modeled using a characteristic time which is the sum of a laminar (high temperature) chemistry time, an ignition (low temperature) chemistry time, and a turbulence mixing time. The ignition characteristic time was modeled using data from elementary initiation reactions and has the Arrhenius form. It was found to be possible to match all engine test cases reasonably well with one set of combustion model constants.

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.