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Over the last two decades, global emission regulations have become more stringent and have required the use of more advanced fuel injection systems. This includes the use of tighter tolerances, more rapid injections and internal components actuated by weaker injection forces. Unfortunately, these design features make the entire system more susceptible to fuel contaminants. Over the last six years, the composition of these contaminants has evolved from hard insoluble debris, such as dust and rocks, to soluble chemical contaminants. Recent research by the diesel engine manufacturers, fuel injection equipment suppliers and the fuel and fuel additive industry has discovered a major source of the soluble chemical contaminant that leads to injector deposits to be derived from cost effective and commonly used additives used to protect against pipeline corrosion.

The life of an automotive engine is often limited by the ability of its components to resist wear. Zinc dialkyldithiophosphate (ZDDP) is an engine oil additive that reduces wear in an engine by forming solid antiwear films at points of moving contact. The effects of this additive are fairly well understood, but there is little theory behind the kinetics of antiwear film formation and removal. This lack of dynamic modeling makes it difficult to predict the effects of wear at the design stage for an engine component or a lubricant formulation. The purpose of this discussion is to develop a framework for modeling the formation and evolution of ZDDP antiwear films based on the relevant chemical pathways and physical mechanisms at work.

Battery packs for Hybrids, Plug-in Hybrids, and Electric Vehicles are assembled from a system of modules (sheets) with a tight sheet metal casing around them. Each module consists of an array of individual cells which vary in the composition of electrodes and separator from one manufacturer to another. In this paper a general procedure is outlined on the development of a constitutive and computational model of a cylindrical cell. Particular emphasis is placed on correct prediction of initiation and propagation of a tearing fracture of the steel can. The computational model correctly predicts rupture of the steel can which could release aggressive chemicals, fumes, or spread the ignited fire to the neighboring cells. The initiation site of skin fracture depends on many factors such as the ductility of the casing material, constitutive behavior of the system of electrodes, and type of loading.

Diesel exhaust fluid, DEF, (32.5 wt.% urea aqueous solution) is widely used as the NH3 source for selective catalytic reduction (SCR) of NOx in diesel aftertreatment systems. The transformation of sprayed liquid phase DEF droplets to gas phase NH3 is a complex physical and chemical process. Briefly, it experiences water vaporization, urea thermolysis/decomposition and hydrolysis. Depending on the DEF doser, decomposition reaction tube (DRT) design and operating conditions, incomplete decomposition of injected urea could lead to solid urea deposit formation in the diesel aftertreatment system. The formed deposits could lead to engine back pressure increase and DeNOx performance deterioration etc. The formed urea deposits could be further transformed to chemically more stable substances upon exposure to hot exhaust gas, therefore it is critical to understand this transformation process.

Accurate estimation of catalyst bed temperatures is very crucial for effective control and diagnostics of aftertreatment systems. The architecture of most aftertreatment systems contains temperature sensors for measuring the exhaust gas temperatures at the inlet and outlet of the aftertreatment systems. However, the temperature that correctly reflects the temperature of the chemical reactions taking place on the catalyst surface is the catalyst bed temperature. From the Arrhenius relationship which governs the chemical reaction kinetics occurring in different aftertreatment systems, the rate of chemical reaction is very sensitive to the reaction temperature. Considerable changes in tailpipe emissions can result from small changes in the reaction temperature and robust emissions control systems should be able to compensate for these changes in reaction temperature to achieve the desired tailpipe emissions.

The chemistry of unburned hydrocarbon oxidation in SI engine exhaust was modeled as a function of temperature and concentration of unburned gas for lean and rich mixtures. Detailed chemical kinetic mechanisms were used to model isothermal reactions of unburned fuel/air mixture in an environment of burned gases at atmospheric pressure. Simulations were performed using five pure fuels (methane, ethane, propane, n-butane and toluene) for which chemical kinetic mechanisms and steady state hydrocarbon (HC) emissions data were available. A correlation is seen between reaction rates and HC emissions for different fuels. Calculated relative amounts of intermediate oxidation products are shown to be consistent with experimental measurements.

The oxidation chemistry of paraffins, aromatics, olefins and MTBE were examined. Detailed chemical kinetics calculations were carried out for oxidation of these compounds in the engine cycle. The oxidation rates are very sensitive to temperature. At temperatures of over 1400 K (depending on the fuel), all the hydrocarbons are essentially oxidized for typical residence time in the engine. Based on the kinetics calculations, a threshold temperature is defined for the conversion of the fuel species to CO, CO2, H2O and partially oxidized products. The difference in the survival fraction between aromatics and non-aromatics is attributed to the higher threshold temperature of the aromatics.

THE autoignition characteristics of several fuels under various conditions of mixture strength, compression ratio, and temperature have been studied by means of a rapid-compression machine. The behaviors of a knock inhibitor, tetraethyl lead, and a knock inducer, ethyl nitrite, have also been studied. Simultaneous records of pressure, volume, and the inflammation have been obtained. These records show the diverse aspects of the autoignition phenomenon and indicate, among other things, according to the authors, that a comparison of the detonating tendencies of fuels must include not only a consideration of the length of the delay period but also an evaluation of the rate of pressure rise during autoignition. Physical interpretations of the data are presented but chemical interpretations have been avoided. The work was exploratory in nature. The authors hope that the results will stimulate activity in this important branch of combustion research.

Three-way catalysts have been used in a variety of stoichiometric natural gas engines for emission control. During real-world operation, these catalysts have experienced a large number of temporary and permanent deactivations including thermal aging and chemical contamination. Thermal aging is typically induced either by high engine-out exhaust temperatures or the reaction exotherm generated on the catalysts. Chemical contamination originates from various inorganic species such as Phosphorous (P) and Sulfur (S) that contain in engine fluids, which can poison and/or mask the catalyst active components. Such deactivations are quite difficult to simulate under laboratory conditions, due to the fact that multiple deactivation modes may occur at the same time in the real-world operations. In this work, a set of field-aged TWCs has been analyzed through detailed laboratory research in order to identify and quantify the real-world aging mechanisms.

Recent studies have shown that for a given RON, fuels with a higher sensitivity (RON-MON) tend to have better antiknock performance at most knock-limited conditions in modern engines. The underlying chemistry behind fuel sensitivity was therefore investigated to understand why this trend occurs. Chemical kinetic models were used to study fuels of varying sensitivities; in particular their autoignition delay times and chemical intermediates were compared. As is well known, non-sensitive fuels tend to be paraffins, while the higher sensitivity fuels tend to be olefins, aromatics, diolefins, napthenes, and alcohols. A more exact relationship between sensitivity and the fuel's chemical structure was not found to be apparent. High sensitivity fuels can have vastly different chemical structures. The results showed that the autoignition delay time (τ) behaved differently at different temperatures. At temperatures below 775 K and above 900 K, τ has a strong temperature dependence.