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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.

In the urea SCR system, urea solution is injected by injector installed in the front stage of the SCR catalyst, and NOx can be purified on the SCR catalyst by using NH3 generated by the chemical reaction of urea. NH3 is produced by thermolysis of urea and hydrolysis of isocyanic acid after evaporation of water in the urea solution. But, biuret and cyanuric acid which may cause deposit are sometimes generated by the chemical reactions without generating NH3. Spray behavior and chemical reaction of urea solution injected into the tail-pipe are complicated. The purpose of this study is to reveal the spray behavior and NH3 generation process in the tail-pipe, and to construct the model capable of predicting those accurately. In this report, the impingement spray behavior is clarified by scattered light method in high temperature flow field. Liquid film adhering to the wall and deposit generated after evaporation of water from the liquid film are photographed by the digital camera.

Fundamental simulations using DNS type procedures were used to investigate the ignition, combustion characteristics and the lift-off trends of a spatially evolving turbulent liquid fuel jet. In particular, the spatially evolving n-Heptane spray injected in a two-dimensional rectangular domain with an engine like environment was investigated. The computational results were compared to the experimental observations from an optical engine as reported in the literature. It was found that an initial fuel rich combustion downstream of the spray tip is followed by diffusion combustion. Investigations were also made to understand the effects of injection velocity, ambient temperature and the droplet radius on the lift-off length. For each of these parameters three different values in a given range were chosen. For both injection velocity and droplet radius, an increase resulted in a near linear increase in the lift-off length.

The role of mixture stratification on combustion rate has been investigated in a constant volume combustion vessel in which mixtures of different equivalence ratios can be added in a spatially and temporally controlled fashion. The experiments were performed in a regime of low fluid motion to avoid the complicating effects of turbulence generated by the injection of different masses of fluid. Different mixture combinations were investigated while maintaining a constant overall equivalence ratio and initial pressure. The results indicate that the highest combustion rate for an overall lean mixture is obtained when all of the fuel is contained in a stoichiometric mixture in the vicinity of the ignition source. This is the result of the high burning velocity of these mixtures, and the complete oxidation which releases the full chemical energy.

Fundamental simulations in a quiescent cell under adiabatic conditions were made to understand the effect of temperature, equivalence ratio and the components of the recirculated exhaust gas, viz., CO2 and H2O, on the combustion of n-Heptane. Simulations were made in single phase in which evaporated n-Heptane was uniformly distributed in the domain. Computations were made for two different temperatures and four different EGR levels. CO2 or H2O or N2was used as EGR. It was found that the initiation of the main combustion process was primarily determined by two competing factors, i.e., the amount of initial OH concentration in the domain and the specific heat of the mixture. Further, initial OH concentration can be controlled by the manipulating the ambient temperature in the domain, and the specific heat capacity of the mixture via the mixture composition. In addition to these, the pre combustion and the subsequent post combustion can also be controlled via the equivalence ratio.

An investigation of the effect of microflow machining on the spray characteristics of diesel injectors was undertaken. A collection of four VCO injector tips were tested prior to and after an abrasive flow process using a high viscosity media. The injector nozzles were tested on a spray fixture. Rate of injection measurements and high-speed digital images were used for the quantification of the air entrainment rate. Comparisons of the spray characteristics and A/F ratios were made for conditions of before and after the abrasive flow process. Results showed a significant decrease in the injection-to-injection variability and improvement of the spray symmetry. A link between the quantity of air entrained and potential differences in spray plume internal chemical composition and temperature is proposed via equilibrium calculations.

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.

This paper confirms a structure for the soot formation process inside a burning diesel jet plume of oxygenated fuels. An explanation of how the soot formation process changes by the use of oxygenated fuel in comparison with that for using a conventional diesel fuel, and why oxygenated fuel drastically suppresses the soot formation has been derived from the chemical kinetic analysis. A detailed chemical kinetic mechanism, which is combined with various proposed chemical kinetic models including normal paraffinic hydrocarbon oxidation, oxygenated hydrocarbon oxidation, and poly-aromatic hydrocarbon (PAH) formation, was developed in present study. The calculated results are presented to elucidate the influence of fuel mixture composition and fuel structure, especially relating to oxygenated fuels, on PAH formation. The analysis also provides a new insight into the initial soot formation process in terms of the temperature range of PAH formation.

An experimental study was performed to investigate the effect of fuel composition on combustion, gaseous emissions, and detailed chemical composition and size distributions of diesel particulate matter (PM) in a modern heavy-duty diesel engine with the use of the enhanced full-dilution tunnel system of the Engine Research Center (ERC) of the UW-Madison. Detailed description of this system can be found in our previous reports [1,2]. The experiments were carried out on a single-cylinder 2.3-liter D.I. diesel engine equipped with an electronically controlled unit injection system. The operating conditions of the engine followed the California Air Resources Board (CARB) 8-mode test cycle. The fuels used in the current study include baseline No. 2 diesel (Fuel A: sulfur content = 352 ppm), ultra low sulfur diesel (Fuel B: sulfur content = 14 ppm), and Fisher-Tropsch (F-T) diesel (sulfur content = 0 ppm).

An experimental study was carried out to investigate the effects of fuel injection timing on detailed chemical composition and size distributions of diesel particulate matter (PM) and regulated gaseous emissions in a modern heavy-duty D.I. diesel engine. These measurements were made for two different diesel fuels: No. 2 diesel (Fuel A) and ultra low sulfur diesel (Fuel B). A single-cylinder 2.3-liter D.I. diesel engine equipped with an electronically controlled unit injection system was used in the experiments. PM measurements were made with an enhanced full-dilution tunnel system at the Engine Research Center (ERC) of the University of Wisconsin-Madison (UW-Madison) [1, 2]. The engine was run under 2 selected modes (25% and 75% loads at 1200 rpm) of the California Air Resources Board (CARB) 8-mode test cycle.

Methyl butanoate (MB) and methyl decanoate (MD) are surrogates for biodiesel fuels. According to computational results with their detailed reaction mechanisms, MB and MD indicate shorter ignition delays than long alkanes such as n-heptane and n-dodecane do at an initial temperature over 1000 K. The high ignitability of these methyl esters was computationally analyzed by means of contribution matrices proposed by some of the authors. Due to the high acidity of an α-H atom in a carbonyl compound, hydroperoxy radicals are generated out of the equilibrium between forward and backward reactions of O₂ addition to methyl ester radicals by the internal transfer of an α-H atom in the initial stage of an ignition process. Some of the hydroperoxy methyl ester radicals can generate OH to activate initial reactions. MB has an efficient CH₃O formation path via CH₃ generated by the β-scission of an MB radical which has a radical site on the α-C atom to the carbonyl group.

High fidelity engine simulation requires realistic fuel models. Although typical automotive fuels consist of more than few hundreds of hydrocarbon species, researches show that the physical and chemical properties of the real fuels could be represented by appropriate surrogate fuel models. It is desirable to represent the fuel using the same set of physical and chemical surrogate components. However, when the reaction mechanisms for a certain physical surrogate component is not available, the chemistry of the unmatched physical component is described using that of a similar chemical surrogate component at the expense of accuracy. In order to reduce the prediction error while maintaining the computational efficiency, a method of on-the-fly reactivity adjustment (ReAd) of chemical reaction mechanism along with fuel re-distribution based on reactivity is presented and tested in this study.

Physical, chemical, and biological characterization data for the particulate emissions from a Caterpillar 3208 diesel engine with and without Corning porous ceramic particulate traps are presented. Measurements made at EPA modes 3,4,5,9,lO and 11 include total hydrocarbon, oxides of nitrogen and total particulate matter emissions including the solid fraction (SOL), soluble organic fraction (SOF) and sulfate fraction (SO4), Chemical character was defined by fractionation of the SOF while biological character was defined by analysis of Ames Salmonella/ microsome bioassay data. The trap produced a wide range of total particulate reduction efficiencies (0-97%) depending on the character of the particulate. The chemical character of the SOF was significantly changed through the trap as was the biological character. The mutagenic specific activity of the SOF was generally increased through the trap but this was offset by a decrease in SOF mass emissions.