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This computational study compares predictions and experimental results for the use of direct injected iso-octane fuel during the negative valve overlap (NVO) period to achieve HCCI combustion. The total fuel injection was altered in two ways. First the pre-DI percent, (the ratio of direct injected fuel during the NVO period “pre-DI” to the secondary fuel supplied at the intake manifold “PI”), was varied at a fixed pre-DI injection timing, Secondly the timing of the pre-DI injection was varied while all of the fuel was supplied during the NVO period. A multi-zone, two-dimensional CFD simulation with chemistry was performed using KIVA-3V release 2 implemented with the CHEMKIN solver. The simulations were performed during the NVO period only.

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 detailed comparison of cylinder pressure derived combustion performance and engine-out emissions is made between an all-metal single-cylinder light-duty diesel engine and a geometrically equivalent engine designed for optical accessibility. The metal and optically accessible single-cylinder engines have the same nominal geometry, including cylinder head, piston bowl shape and valve cutouts, bore, stroke, valve lift profiles, and fuel injection system. The bulk gas thermodynamic state near TDC and load of the two engines are closely matched by adjusting the optical engine intake mass flow and composition, intake temperature, and fueling rate for a highly dilute, low temperature combustion (LTC) operating condition with an intake O2 concentration of 9%. Subsequent start of injection (SOI) sweeps compare the emissions trends of UHC, CO, NOx, and soot, as well as ignition delay and fuel consumption.

A procedure has been developed to build system level predictive models that incorporate physical laws as well as information derived from experimental data. In particular a soot model was developed, trained and tested using experimental data. It was seen that the model could fit available experimental data given sufficient training time. Future accuracy on data points not encountered during training was estimated and seen to be good. The approach relies on the physical phenomena predicted by an existing system level phenomenological soot model coupled with ‘weights’ which use experimental data to adjust the predicted physical sub-model parameters to fit the data. This approach has developed from attempts at incorporating physical phenomena into neural networks for predicting emissions. Model training uses neural network training concepts.

An engine cycle simulation code with detailed chemical kinetics has been developed to study Homogeneous Charge Compression Ignition (HCCI) combustion with hydrogen as the fuel. In order to attain adequate combustion duration, resulting from the self-accelerating nature of the chemical reaction, fuel and temperature inhomogeneities have been brought to the calculation by considering the combustion chamber to have various temperature and fuel distributions. Calculations have been done under various conditions including both perfectly homogeneous and inhomogeneous cases, changing the degree of inhomogeneity. The results show that intake gas temperature is more dominant on ignition timing of HCCI than equivalence ratio and that there is a possibility to control HCCI by introducing appropriate temperature inhomogeneity to in-cylinder mixture.

A fundamentally based quasi-dimensional NOx emission model for spark ignition direct injection (SIDI) gasoline engines was developed. The NOx model consists of a chemical mechanism and three sub-models. The classical extended Zeldovich mechanism and N₂O pathway for NOx formation mechanism were employed as the chemical mechanism in the model. A characteristic time model for the radical species H, O and OH was incorporated to account for non-equilibrium of radical species during combustion. A model of homogeneity which correlates fundamental dimensionless numbers and mixing time was developed to model the air-fuel mixing and inhomogeneity of the charge. Since temperature has a dominant effect on NOx emission, a flame temperature correlation was developed to model the flame temperature during the combustion for NOx calculation. Measured NOx emission data from a single-cylinder SIDI research engine at different operating conditions was used to validate the NOx model.

Engine operation with blended SRC-II and pyridine doped diesel fuel were compared relative to regular #2 diesel fuel in a 4-stroke, turbocharged, direct injection, high speed commercial diesel engine. The brake specific fuel consumption, (M-Joule/hp-hr), turbocharging, combustion characteristics and smoke did not change between blended SRC-II and regular #2 diesel fuel. This was expected since the sample fuels were blended to be of the same cetane number. The maximum torque, hydrocarbon and NOx emissions were higher for blended SRC-II. There was essentially no difference in the NOx measurements of the pyridine doped fuel and regular #2 diesel fuel. The NOx emission increase for the blended SRC-II is believed to be caused by the increased aromatic content of the blended SRC-II and not the fuel nitrogen conversion.

Modeling ignition kernel development in spark ignition engines is crucial to capturing the sources of cyclic variability, both with RANS and LES simulations. Appropriate kernel modeling must ensure that energy transfer from the electrodes to the gas phase has the correct timing, rate and locations, until the flame surface is large enough to be represented on the mesh by the G-Equation level-set method. However, in most kernel models, geometric details driving kernel growth are missing: either because it is described as Lagrangian particles, or because its development is simplified, i.e., down to multiple spherical flames. This paper covers the geometric aspects of kernel development, which makes up the core of a Triangulated Lagrangian Ignition Kernel model. One (or multiple, if it restrikes) spark channel is initialized as a one-dimensional Lagrangian particle thread.

Homogeneous low temperature combustion is believed to be a promising approach to resolve the conflict of goals between high efficiency and low exhaust emissions. Disadvantageously for this kind of combustion, the whole process depends on chemical kinetics and thus is hard to control. Reactivity controlled combustion can help to overcome this difficulty. In the so-called RCCI (reactivity controlled compression ignition) combustion concept a small amount of pilot diesel that is injected directly into the combustion chamber ignites a highly diluted gasoline-air mixture. As the gasoline does not ignite without the diesel, the pilot injection timing and the ratio between diesel and gasoline can be used to control the combustion process. A phenomenological multi-zone model to predict RCCI combustion has been developed and validated against experimental and 3D-CFD data. The model captures the main physics governing ignition and combustion.

A Texaco L-163S TCCS (Texaco Controlled Combustion System) engine was operated with pure methanol to investigate the origin and mechanism of unburned fuel (UBF) and formaldehyde emissions. The effects of engine load, speed and coolant temperature on the exhaust emissions were studied using both continuous and time-resolved sampling methods. Within the range studied, increasing the engine load resulted in a decrease of the exhaust UBF emissions and an increase in the formaldehyde emissions. Engine speed had little effect on both UBF and formaldehyde emissions. Decreasing the engine coolant temperature from 85°C to 45°C caused the exhaust UBF emissions to approximately double and the formaldehyde emission to increase approximately 20 percent. It is hypothesized that both fuel impingement and spray tailing are responsible for the high UBF emissions. In-cylinder formation of formaldehyde was found to be the major source of the exhaust aldehyde emissions in this experiment.

In this paper we report the results of experiments done during the transient operation of a single cylinder Cummins NH engine. The data taken include cycle resolved pressure, combustion chamber surface temperatures and ignition delay. The data was taken during a special type of engine operation in which the engine was repeatedly hopped from one load to another. In this way cycle to cycle variations could be averaged out by ensemble averaging individual cycles after the step load change. For analysis of the heat transfer a unique finite difference temperature probe was developed to delineate the 3-D heat transfer effects in place of the standard 1-D assumptions and a new analysis technique was developed to calculate the instantaneous heat flux during the transient. Analysis of the data indicates that the combustion reaches an equivalent steady state condition within 2000 engine cycles after the load change.

Computational fluid dynamics of gas-fueled large-bore spark ignition engines with pre-chamber ignition can speed up the design process of these engines provided that 1) the reliability of the results is not affected by poor meshing and 2) the time cost of the meshing process does not negatively compensate for the advantages of running a computer simulation. In this work a flame propagation model that runs with arbitrary hybrid meshes was developed and coupled with the KIVA4-MHI CFD solver, in order to address these aims. The solver follows the G-Equation level-set method for turbulent flame propagation by Tan and Reitz, and employs improved numerics to handle meshes featuring different cell types such as hexahedra, tetrahedra, square pyramids and triangular prisms. Detailed reaction kinetics from the SpeedCHEM solver are used to compute the non-equilibrium composition evolution downstream and upstream of the flame surface, where chemical equilibrium is instead assumed.

A single cylinder CFR research engine has been run in HCCI combustion mode for a range of temperatures and fuel compositions. The data indicate that the best HCCI operation, as measured by a combination of successful combustion with low ISFC, occurs at or near the rich limit of operation. Analysis of the pressure and heat release histories indicated the presence, or absence, and impact of the fuel's NTC ignition behavior on establishing successful HCCI operation. The auto-ignition trends observed were in complete agreement with previous results found in the literature. Furthermore, analysis of the importance of the fuel's octane sensitivity, through assessment of an octane index, successfully explained the changes in the fuels auto-ignition tendency with changes in engine operating conditions.

The heat release type models have been classified as zero-dimensional because they have no spatial resolution and therefore don't contain any information on the fluid mechanics in them. They have been a significant contribution because they incorporate the rate processes occurring in the engine and are an aid in the analysis of the data. Because they are thermodynamic models it is necessary to define the control volumes on which the thermodynamic analysis is to be performed. The different control volume descriptions, called one, two and three zone models, and the analysis of the combustion event using these models is discussed. Finally a description of second law zero-dimensional models is given. These models have similar limitations as the First Law models; no spatial resolution and a control volume definition is required. These models are useful because they enable one to analyze the magnitude of the losses that occur in the different processes which comprise the engine cycle.

Deviations between transient and steady state operation of a modern light duty diesel engine were identified by comparing rapid load transitions to steady state tests at the same speeds and fueling rates. The validity of approximating transient performance by matching the transient charge air flow rate and intake manifold pressure at steady state was also assessed. Results indicate that for low load operation with low temperature combustion strategies, transient deviations of MAF and MAP from steady state values are small in magnitude or short in duration and have relatively little effect on transient engine performance. A new approximation accounting for variations in intake temperature and excess oxygen content of the EGR was more effective at capturing transient emissions trends, but significant differences in magnitudes remained in certain cases indicating that additional sources of variation between transient and steady state performance remain unaccounted for.

Multiple injection strategies have been revealed as an efficient means to reduce diesel engine NOx and soot emissions simultaneously, while maintaining or improving its thermal efficiency. Empirical soot models widely adopted in engine simulations have not been adequately validated to predict soot formation with multiple injections. In this work, a multiple-step phenomenological (MSP) soot model that includes particle inception, surface growth, oxidation, and particle coagulation was revised to better describe the physical processes of soot formation in diesel combustion. It was found that the revised MSP model successfully reproduces measured soot emission dependence on the start-of-injection timing, while the two-step empirical and the original MSP soot models were less accurate. The revised MSP model also predicted reasonable soot and intermediate species spatial profiles within the combustion chamber.

The paper reports the application of Proper Orthogonal Decomposition (POD) to LES calculations for the analysis of combustion and knock tendency in a highly downsized turbocharged GDI engine that is currently under production. In order to qualitatively match the cyclic variability of the combustion process, Large-Eddy Simulation (LES) of the closed-valve portion of the cycle is used with cycle-dependent initial conditions from a previous multi-cycle analysis [1, 2, 3]. Detailed chemical modelling of fuel's auto-ignition quality is considered through an ad-hoc implemented look-up table approach, as a trade-off between the need for a reasonable representation of the chemistry and that of limiting the computational cost of the LES simulations. Experimental tests were conducted operating the engine at knock-limited spark advance (KLSA) and the proposed knock model was previously validated for such engine setup [3].

A kinetic carbon monoxide (CO) emission model is developed to simulate engine out CO emissions for conventional diesel combustion. The model also incorporates physics governing CO emissions for low temperature combustion (LTC). The emission model will be used in an integrated system level model to simulate the operation and interaction of conventional and low temperature diesel combustion with aftertreatment devices. The Integrated System Model consists of component models for the diesel engine, engine-out emissions (such as NOx and Particulate Matter), and aftertreatment devices (such as DOC and DPF). The addition of CO emissions model will enhance the capability of the Integrated System Model to predict major emission species, especially for low temperature combustion. In this work a CO emission model is developed based on a two-step global kinetic mechanism [8].

Accurate and useful mathematical models of physical processes can be made when we understand all of the phenomena involved. This paper reviews our understanding of the fluid flow, heat transfer and thermodynamic processes occurring in engines and the status of mathematical models expressing this understanding. Thermodynamic single system rate models are found to be extremely useful in predicting power and fuel consumption performance but of limited value in predicting emission performance. Multiple-zone, nonequilibrium models are essential for predicting emissions but are limited in accuracy by computer capacity and our understanding of engine phenomena which vary rapidly both with space and time. The need for and ability of new types of instrumentation, primarily optical, to increase our understanding of engine phenomena and improve our models is discussed.

Detailed characteristics of morphology, nanostructures, and sizes were analyzed for particulate matter (PM) emissions from low-temperature combustion (LTC) modes of a single-cylinder, light-duty diesel engine. The LTC engines have been widely studied in an effort to achieve high combustion efficiency and low exhaust emissions. Recent reports indicate that the number of nucleation mode particles increased in a broad engine operating range, which implies a negative impact on future PM emissions regulations in terms of the nanoparticle number. However, the size measurement of solid carbon particles by commercial instruments is indeed controversial due to the contribution of volatile organics to small nanoparticles. In this work, an LTC engine was operated with various biofuel blends, such as blends (B20) of soy bean oil (soy methyl ester, SME20) and palm oil (palm methyl ester, PME20), as well as an ultra-low-sulfur diesel fuel.