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The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

The development of analytic models of diesel engine flow, combustion and subprocesses is described. The models are intended for use as design tools by industry for the prediction of engine performance and emissions to help reduce engine development time and costs. Part of the research program includes performing engine experiments to provide validation data for the models. The experiments are performed on a single-cylinder version of the Caterpillar 3406 engine that is equipped with state-of-the-art high pressure electronic fuel injection and emissions instrumentation. In-cylinder gas velocity and gas temperature measurements have also been made to characterize the flows in the engine.

A Three-Way Catalyst (TWC) model with global TWC kinetics for lean burn DISI engines were developed and validated. The model incorporates kinetics of hydrocarbons and carbon monoxide oxidations, NOx reduction, water-gas and steam reforming and oxygen storage. Ammonia (NH₃) and new nitrous oxide (N₂O) kinetics were added into the model to study NH₃ and N₂O formation in TWC systems. The model was validated over a wide range of engine operating conditions using various types of experimental data from a lean burn automotive SIDI engine. First, well-controlled time-resolved steady state data were used for calibration and initial model tests. In these steady state operations, the engine was switched between lean and rich conditions for NOx emission control. Then, the model was further validated using a large set of time-averaged steady state data. Temperature dependencies of NH₃ and N₂O kinetics in the TWC model were examined and well captured by the model.

To overcome the trade-off between NOx and particulate emissions for future diesel vehicles and engines it is necessary to seek methods to lower pollutant emissions. The desired simultaneous improvement in fuel efficiency for future DI (Direct Injection) diesels is also a difficult challenge due to the combustion modifications that will be required to meet the exhaust emission mandates. This study demonstrates the emission reduction capability of split injections, EGR (Exhaust Gas Recirculation), and other parameters on a High Speed Direct Injection (HSDI) diesel engine equipped with a common rail injection system using an RSM (Response Surface Method) optimization method. The optimizations were conducted at 1757 rev/min, 45% load. Six factors were considered for the optimization, namely the EGR rate, SOI (Start of Injection), intake boost pressure, and injection pressure, the percentage of fuel in the first injection, and the dwell between injections.

Engine-out CO emission and fuel conversion efficiency were measured in a highly-dilute, low-temperature diesel combustion regime over a swirl ratio range of 1.44-7.12 and a wide range of injection timing. At fixed injection timing, an optimal swirl ratio for minimum CO emission and fuel consumption was found. At fixed swirl ratio, CO emission and fuel consumption generally decreased as injection timing was advanced. Moreover, a sudden decrease in CO emission was observed at early injection timings. Multi-dimensional numerical simulations, pressure-based measurements of ignition delay and apparent heat release, estimates of peak flame temperature, imaging of natural combustion luminosity and spray/wall interactions, and Laser Doppler Velocimeter (LDV) measurements of in-cylinder turbulence levels are employed to clarify the sources of the observed behavior.

This research focused on the effects of split injection on fuel spray behavior in a diesel environment. It was done in a special designed engine-fed combustion chamber (swirl ratio of 5) with full field optical access through a quartz window. The simulated engine combustion chamber used a special backwards spraying injector (105°). The electronically controlled injector could control the size and position of it's two injections. Both injections were through the same nozzle and it produced very rapid injections (1.5 ms) with a maximum injection pressure of 130 MPa. Experimental data included: rate of injection, injector pressure, spray plume images, tip penetration, liquid and vapor fuel distributions, combustion pressure, and rate of pressure rise. From 105° forward scatter images, tip penetration was observed to be very rapid and reached a plateau at 25 mm.

A study of fuel spray characteristics for diesel fuel from a multi-hole nozzle injector was performed yielding tip penetration length and spray cone angle for each of the spray plumes from a six hole injector. The main feature of the system used was that analysis of all the fuel plumes could occur at one time, as all the plumes were imaged on the same piece of film. Spray behavior was examined for two injection pressures (72 MPa and 122 MPa) and for ambient temperatures up to 523 K (250°C). The results in this paper show how the spray plumes behave as they leave each of the six holes of the injector. The characteristics of each hole differs during injection. The variations of spray cone angle and tip penetration length between holes are small, but significant. These variations in tip penetration and cone angle changed as the temperature of the chamber changed, but the overall characteristics of the spray plumes changed only slightly for the temperatures used in this paper.

A slipstream of exhaust from a Caterpillar 3126B engine was diverted into a plasma-catalytic NOx control system in the space velocity range of 7,000 to 100,000 hr-1. The stream was first fed through a non-thermal plasma that was formed in a coaxial cylinder dielectric barrier discharge reactor. Plasma treated gas was then passed over a catalyst bed held at constant temperature in the range of 573 to 773 K. Catalysts examined consisted of γ-alumina, indium-doped γ-alumina, and silver-doped γ-alumina. Road and rated load conditions resulted in engine out NOx levels of 250 - 600 ppm. The effects of hydrocarbon level, catalyst temperature, and space velocity are discussed where propene and in one case ultra-low sulfur diesel fuel (late cycle injection) were the reducing agents used for NOx reduction. Results showed NOx reduction in the range of 25 - 97% depending on engine operating conditions and management of the catalyst and slipstream conditions.

An experimental investigation of the spectral characteristics of turbulent flow in a scale model of a high pressure diesel fuel injector nozzle hole has been conducted. Instantaneous velocity measurements were made in a 50X transparent model of one hole of an injector nozzle using an Aerometrics Phase/Doppler Particle Analyzer (PDPA) in the velocity mode. Turbulence spectra were calculated from the velocity data using the Lomb-Scargle method. Injector hole length to diameter ratio (L/D) values of 1.3, 2.4, 4.9, and 7.7 and inlet radius to diameter ratio (R/D) values of approximately 0 and 0.3 were investigated. Results were obtained for a steady flow average Reynolds number of 10,500, which is analogous to a fuel injection velocity of 320 m/s and a sac pressure of approximately 67 MPa (10,000 psi). Turbulence time frequency spectra were obtained for significant locations in each geometry, in order to determine how geometry affects the development of the turbulent spectra.

An emissions and performance study was conducted to explore the effects of EGR and multiple injections on particulate, NOx, and BSFC. EGR is known to be effective at reducing NOx, but at high loads there is usually a large increase in particulate. Recent work has shown that multiple injections are effective at reducing particulate. Thus, it was of interest to examine the possibility of simultaneously reducing particulate and NOx with the combined use of EGR and multiple injections. The tests were conducted on a fully instrumented single cylinder version of the Caterpillar 3406 heavy duty truck engine. Tests were done at high load (75% of peak torque at 1600 RPM where EGR has been shown to produce unacceptable increases in particulate emissions. The fuel system used was an electronically controlled, common rail injector and supporting hardware. The fuel system was capable of up to four independent injections per cycle.

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.

Various gold catalysts were prepared using commercial and in-house fabricated advanced catalyst supports that included mesoporous silica, mesoporous alumina, sol-gel alumina, and transition metal oxides. Gold nanoparticles were loaded on the supports by co-precipitation, deposition-precipitation, ion exchange and surface functionalization techniques. The average gold particle size was ∼20nm or less. The oxidation activity of the prepared catalysts was studied using carbon monoxide and light hydrocarbons (ethylene, propylene and propane) in presence of water and CO2 and the results are presented.

This paper describes two independent studies on γ-alumina as a plasma-activated catalyst. γ-alumina (2.5 - 4.3 wt%) was coated onto the surface of mesoporous silica to determine the importance of aluminum surface coordination on NOx conversion in conjunction with nonthermal plasma. Results indicate that the presence of 5- and 6- fold aluminum coordination sites in γ-alumina could be a significant factor in the NOx reduction process. A second study examined the effect of changing the reducing agent on NOx conversion. Several hydrocarbons were examined including propene, propane, isooctane, methanol, and acetaldehyde. It is demonstrated that methanol was the most effective reducing agent of those tested for a plasma-facilitated reaction over γ-alumina.

NOx reduction efficiency in simulated lean exhaust conditions has been examined for three proprietary catalyst materials using a non-thermal plasma discharge as a pretreatment stage to the catalyst. Using propene as the reducing agent for selective catalytic reduction, 74% reduction of NOx has been observed in the presence of 20 ppm SO2. For sulfur-free simulated exhaust, 84% NOx reduction has been obtained. Results show that the impact of sulfur on the samples examined can vary widely from virtually no effect (< 5%) to more than 20% loss in activity depending on the catalyst. Any loss due to sulfur poisoning appears to be irreversible according to limited measurements on poisoned catalysts exposed to sulfur-free exhaust streams. Catalysts were tested over a temperature range of 473-773K, with the highest activity observed at 773K. Examination of this large temperature window has shown that the optimum C1:NOx ratio changes with temperature.

This study focuses on the development of an autoignition model for diesel sprays that is applicable to phenomenological multi-zone combustion models. These models typically use a single-step Arrhenius expression to represent the low-temperature chemistry leading up to autoignition. There has been a substantial amount of work done in the area of n-heptane autoignition in homogeneous mixtures. Reduced kinetic mechanisms with ten reactions or less have been proposed in the literature to represent the complex low-temperature oxidation of n-heptane. These kinetic models are attractive for multi-zone simulations because of the low number of reactions involved. However, these kinetic mechanisms and the multi-zone treatment of the fuel spray do not account for the effect of turbulence/chemistry interactions on the chemical reaction rate.

Ducted fuel injection (DFI) was tested for the first time in a heavy-duty diesel metal engine. It was implemented on a Caterpillar 2.5-liter single-cylinder heavy-duty diesel engine fitted with a common rail fuel system and a Tier 4 final production piston. Engine tests consisted of single-injection timing sweeps at A100 and C100, where rail pressure and exhaust gas recirculation (EGR) were also varied. A 6-hole fuel injector tip with 205 am orifices was used with a 130° spray angle and rail pressures up to 250 MPa. The ducts were 14 mm long, had a 2.5 mm inner diameter, and were placed 3.8 mm away from the orifice exits. The ducts were attached to a base, which in turn was attached to the cylinder head with bolts. Furthermore, alignment of the ducts and their corresponding fuel jets was accomplished.

Optimal fuel injection strategies are obtained with a micro-genetic algorithm and an adaptive gradient method for a nonroad, medium-speed DI diesel engine equipped with a multi-orifice, asynchronous fuel injection system. The gradient optimization utilizes a fast-converging backtracking algorithm and an adaptive cost function which is based on the penalty method, where the penalty coefficient is increased after every line search. The micro-genetic algorithm uses parameter combinations of the best two individuals in each generation until a local convergence is achieved, and then generates a random population to continue the global search. The optimizations have been performed for a two pulse fuel injection strategy where the optimization parameters are the injection timings and the nozzle orifice diameters.

A study of statistical optimization of engine operating parameters was conducted. The objective of the study was to develop a strategy to efficiently optimize operating parameters of diesel engines with multiple injection and EGR capabilities. 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. The goal of the present study was to optimize the control parameters to reduce emissions and brake specific fuel consumption. An instrumented single-cylinder heavy-duty diesel engine was used with a prototype mechanically actuated (cam driven) fuel injection system.

Neural networks are useful tools for optimization studies since they are very fast, so that while capturing the accuracy of multi-dimensional CFD calculations or experimental data, they can be run numerous times as required by many optimization techniques. This paper describes how a set of neural networks trained on a multi-dimensional CFD code to predict pressure, temperature, heat flux, torque and emissions, have been used by a genetic algorithm in combination with a hill-climbing type algorithm to optimize operating parameters of a diesel engine over the entire speed-torque map of the engine. The optimized parameters are mass of fuel injected per cycle, shape of the injection profile for dual split injection, start of injection, EGR level and boost pressure. These have been optimized for minimum emissions. Another set of neural networks have been trained to predict the optimized parameters, based on the speed-torque point of the engine.

A study of partially premixed combustion (PPC) with non-oxygenated 91 pump octane number1 (PON) commercially available gasoline was performed using a heavy-duty (HD) compression-ignition (CI) 2.44 l Caterpillar 3401E single-cylinder oil test engine (SCOTE). The experimental conditions selected were a net indicated mean effective pressure (IMEP) of 11.5 bar, an engine speed of 1300 rev/min, an intake temperature of 40°C with intake and exhaust pressures of 200 and 207 kPa, respectively. The baseline case for all studies presented had 0% exhaust gas recirculation (EGR), used a dual injection strategy a -137 deg ATDC pilot SOI and a -6 deg ATDC main start-of-injection (SOI) timing with a 30/70% pilot/main fuel split for a total of 5.3 kg/h fueling (equating to approximately 50% load). Combustion and emissions characteristics were explored relative to the baseline case by sweeping main and pilot SOI timings, injection split fuel percentage, intake pressure, load and EGR levels.