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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.

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.

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 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.

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.

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.

The hybrid vehicle engines modified for high exhaust gas recirculation (EGR) is a good choice for high efficiency and low NOx emissions. However, high EGR will dilute the engine charge and may cause serious performance problems, such as incomplete combustion, torque fluctuation, and engine misfire. An efficient way to overcome these drawbacks is to intensify tumble leading to increased turbulent intensity at the time of ignition. The enhancement of turbulent intensity will increase flame velocity and improve combustion quality, therefore increasing engine tolerance to higher EGR. To achieve the goal of increasing tolerance to EGR, this work reports a CFD investigation of high tumble intake port design using STAR-CD. The validations had been performed through the comparison with PIV experimental tests.

The lift-off length plays a significant role in spray combustion as it influences the air entrainment upstream of the lift-off location and hence the soot formation. Accurate prediction of lift-off length thus becomes a prerequisite for accurate soot prediction in lifted flames. In the present study, KIVA-3v coupled with CHEMKIN, as developed at the Engine Research Center (ERC), is used as the CFD model. Experimental data from the Sandia National Labs. is used for validating the model predictions of n-heptane lift-off lengths and soot formation details in a constant volume combustion chamber. It is seen that the model predictions, in terms of lift-off length and soot mass, agree well with the experimental results for low ambient density (14.8 kg/m3) cases with different EGR rates (21% O2 - 8% O2). However, for high density cases (30 kg/m3) with different EGR rates (15% O2 - 8% O2) disagreements were found.

A number of oxidation catalysts have been prepared using different types of advanced support materials such as ceria-zirconia, silica-titania, spinels and perovskites. Active metals such as Pd and Au-Pd were loaded by conventional impregnation techniques and/or deposition-precipitation methods. A liquid hydrocarbon delivery system was designed and implemented for the catalyst test benches in order to simulate the diesel engine exhaust environment. The activity of fresh (no degreening) catalysts was evaluated with traditional CO and light hydrocarbons (C2H4, C3H6) as well as with heavy hydrocarbons such as C10 H22.

A modified version of the multi-dimensional KIVA-II code is used to model the effects of multiple injection schemes and exhaust gas recirculation (EGR) on direct injected diesel engine NOx and soot emissions. The computational results, which also considered double and triple injection schemes and varying EGR amounts, are compared with experimental data obtained from a single cylinder version of a Caterpillar heavy-duty truck engine. The study is done at high load (75% of peak torque at 1600 rpm) where EGR is known to produce unacceptable increases in soot (particulate). The effect of soot and spray model formulations are considered. This includes a new spray model based on Rayleigh-Taylor instabilities for liquid breakup. A soot oxidation model that accounts for turbulent mixing and kinetic effects were found to give accurate results. The results showed excellent agreement between predicted and measured in-cylinder pressure, and heat release data for the various cases.

A two-zone NOx model intended for 1-D engine simulations was developed and used to model NOx emissions from a 2.5 L single-cylinder engine. The intent of the present work is to understand key aspects of a simple NOx model that are needed for predictive accuracy, including NOx formation and destruction phenomena in a DI Diesel combustion system. The presented two-zone model is fundamentally based on the heat release rate and thermodynamic incylinder data, and uses the Extended Zeldovich mechanism to model NO. Results show that the model responded very well to changes in speed, load, injection timing, and EGR level. It matched measured tail pipe NOx levels within 20%, using a single tuning setup. When the model was applied to varied injection rate shapes, it showed correct sensitivity to speed, load, injection timing, and EGR level, but the absolute level was well outside the target accuracy. The same limitation was seen when applying the Plee NOx model.

Past research has shown that reactivity controlled compression ignition (RCCI) combustion offers efficiency and NOx and soot advantages over conventional diesel combustion at mid load conditions. However, at high load and low speed conditions, the chemistry timescale of the fuel shortens and the engine timescale lengthens. This mismatch in timescales makes operation at high load and low speed conditions difficult. High levels of exhaust gas recirculation (EGR) can be used to extend the chemistry timescales; however, this comes at the penalty of increased pumping losses. In the present study, targeting the high load - low speed regime, computational optimizations of RCCI combustion were performed at 20 bar gross indicated mean effective pressure (IMEP) and 1300 rev/min. The two fuels used for the study were gasoline (low reactivity) and diesel (high reactivity).

The University of Wisconsin-Madison Snowmobile Team designed and constructed a hybrid-electric snowmobile for the 2005 Society of Automotive Engineers' Clean Snowmobile Challenge. Built on a 2003 cross-country touring chassis, this machine features a 784 cc fuel-injected four-stroke engine in parallel with a 48 V electric golf cart motor. The 12 kg electric motor increases powertrain torque up to 25% during acceleration and recharges the snowmobile's battery pack during steady-state operation. Air pollution from the gasoline engine is reduced to levels far below current best available technology in the snowmobile industry. The four-stroke engine's closed-loop EFI system maintains stoichiometric combustion while dual three-way catalysts reduce NOx, HC and CO emissions by up to 94% from stock. In addition to the use of three way catalysts, the fuel injection strategy has been modified to further reduce engine emissions from the levels measured in the CSC 2004 competition.

An image acquisition-and-processing camera system was developed for in-cylinder diagnostics of a single-cylinder heavy duty diesel engine. The engine was equipped with an electronically-controlled common-rail fuel injection system that allowed both single and split (multiple) injections to be studied. The imaging system uses an endoscope to acquire luminous flame images from the combustion chamber and ensures minimum modification to the engine geometry. The system also includes an optical linkage, an image intensifier, a CID camera, a frame grabber, control circuitry and a computer. Experiments include both single and split injection cases at 90 MPa and 45 MPa injection pressures at 3/4 load and 1600 rev/min with simulated turbocharging. For the single injection at high injection pressure (90 MPa) the results show that the first luminous emissions from the ignition zone occur very close to the injector exit followed by rapid luminous flame spreading.

It is estimated that operating continuously on a B20 fuel containing the current allowable ASTM specification limits for metal impurities in biodiesel could result in a doubling of ash exposure relative to lube-oil-derived ash. The purpose of this study was to determine if a fuel containing metals at the ASTM limits could cause adverse impacts on the performance and durability of diesel emission control systems. An accelerated durability test method was developed to determine the potential impact of these biodiesel impurities. The test program included engine testing with multiple DPF substrate types as well as DOC and SCR catalysts. The results showed no significant degradation in the thermo-mechanical properties of cordierite, aluminum titanate, or silicon carbide DPFs after exposure to 150,000 mile equivalent biodiesel ash and thermal aging. However, exposure of a cordierite DPF to 435,000 mile equivalent aging resulted in a 69% decrease in the thermal shock resistance parameter.