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In this study, reaction path analysis and modeling of NOx reduction phenomena by fast SCR reaction on a Cu-chabazite catalyst were conducted, considering the formation and decomposition of ammonium nitrate (NH4NO3). White crystals of NH4NO3 decompose at temperatures < 200 °C. Thus, the reaction behavior changes at 200 °C under fast SCR reaction conditions. NH4NO3 formation can occur on both Cu sites and Brønsted acid sites, which are active sites for NOx reduction in the Cu-chabazite catalyst, but it is unclear where NH4NO3 accumulates on the catalyst. Analyses using catalyst test pieces with different active sites were performed to estimate this accumulation. The results suggested that NH4NO3 accumulation does not depend on the presence of either Cu sites or Brønsted acid sites. Therefore, it is assumed that NH4NO3 can be accumulated everywhere on the catalyst, including on the zeolite framework. This phenomenon was included in the model as formation/accumulation sites S'.

In this study, reaction path analysis and modeling of NOx reduction phenomena by selective catalytic reduction (SCR) with NH3 over a Cu-chabazite catalyst were conducted considering changes in the valence state of Cu sites and local structure due to differences in ligands to the Cu sites. The analysis showed that in the Cu-chabazite catalyst, NOx was mainly reduced by adsorbed NH3 on divalent Cu sites accompanied by a change in valence state of Cu from divalent to monovalent. It is known that the activation energy of NOx reduction on a Cu-chabazite catalyst changes between low temperatures ≤ 200 °C and mid to high temperatures ≥ 300 °C. To express this phenomenon, a reversible hydrolysis reaction based on the difference in coordination state of hydroxyl groups (OH−) to Cu sites at low and high temperatures was introduced into the model.

Heavy soot deposition in wall-flow type diesel particulate filters reduces engine output and fuel efficiency. This necessitates forced regeneration to oxidize soot via exothermic reactions in a diesel oxidation catalyst upstream of the Diesel Particulate Filter (DPF). Soot loading in the wall of the DPF during forced regeneration causes much greater pressure drops than cake deposition, which is undesirable because high pressure drops reduce engine performance. We show that the description of soot deposition using a DPF model is improved by using a shrinking sphere soot oxidation sub-model. We then use this revised model to analyze cake deposition during forced regeneration, and to study the effects of varying the forced regeneration temperature and duration on the local soot reaction rate and soot mass distribution in the radial and longitudinal directions of the DPF channels during forced regeneration.

The purpose of the present study is to find a way to extend a combustion stability limit for diluted combustion in a spark-ignition (SI) gasoline engine which has a high compression ratio. This paper focuses on partial oxidation in an unburned mixture which is observed in the high compression engine and clarifies the effect of partial oxidation in an unburned mixture on the behavior of a flame stretch and the extinction limit. The behavior of the flame stretch was simulated using the detailed chemical kinetics simulation with the opposed-flow flame reactor model. In the simulation, the reactants which have various reaction progress variables were examined to simulate the flame stretch and extinction under the partial oxidation conditions. The mixtures were also diluted by complete combustion products which represent exhaust gas recirculation (EGR).

For diesel emission control systems containing a Diesel Oxidation Catalyst (DOC) and a Catalyzed Soot Filter (CSF) the DOC is used to oxidize the additional fuel injected into the cylinder and/or the exhaust pipe for the purpose of increasing the CSF inlet temperature during the soot regeneration. Hydrocarbon (HC) oxidation performance of the DOC is affected by HC species as well as a catalyst design, i.e., precious metal species, support materials and additives. How engine-out HC species vary as a function of fuel supply conditions is not well understood. In addition, the relationship between catalyst design and oxidation activity of different hydrocarbon species requires further study. In this study, diesel fuel was supplied by in-cylinder, post injection and exhaust HC species were measured by a gas chromatograph-mass spectrometry (GC-MS) and a gas analyzer. The post injection timing was set to either 73°, 88° or 98° ATDC(after top dead center).

Primary work is to investigate premixed laminar flame propagation in a constant volume chamber of iso-octane/air combustion. Experimental and numerical results are investigated by comparing flame front displacements under lean to rich conditions. As the laminar flame depends on equivalence ratio, temperature, and pressure conditions, it is a main property for chemical reaction mechanism validation. Firstly, one-dimensional laminar flame burning velocities are predicted in order to validate a reduced chemical reaction mechanism. A set of laminar burning velocities with pressure, temperature, and mixture equivalence ratio dependences are combined into a 3D-CFD calculation to compare the predicted flame front displacements with that of experiments. It is found that the reaction mechanism is well validated under the coupled 1D-3D combustion calculations. Next, lean experiments are operated in a SI engine by boosting intake pressure to maintain high efficiency without output power penalty.

A mixed time-scale subgrid large eddy simulation was used to simulate mixture formation, combustion and soot formation under the influence of turbulence during diesel engine combustion. To account for the effects of engine wall heat transfer on combustion, the KIVA code's standard wall model was replaced to accommodate more realistic boundary conditions. This were carried out by implementing the non-isothermal wall model of Angelberger et al. with modifications and incorporating the log law from Pope's method to account for the wall surface roughness. Soot and NOx emissions predicted with the new model are compared to experimental data acquired under various EGR conditions.

Three-way catalyst (TWC) converters can purify harmful substances, such as carbon monoxide, nitrogen oxides, and hydrocarbons, from the exhaust gases of gasoline engines. However, large amounts of these substances may be emitted before the TWC reaches its light-off temperature during cold starts, and its performance may be impaired by thermal deterioration during high-load driving. In this work, a simulation model was developed using axisuite commercial software by Exothermia S.A to predict the light-off conversion performance of Pd/CeO2-ZrO2-Al2O3 catalysts with different degrees of thermal deterioration. The model considered detailed surface reactions and the main factor of the deterioration mechanism. In the detailed reaction mechanism, adsorption, desorption, and surface reactions of each gas species at active sites of the platinum group metal (PGM) particles were considered based on the Langmuir-Hinshelwood mechanism.

This paper describes the development of an integrated simulation model for evaluating the effects of electrically heating the three-way catalyst (TWC) in a series hybrid electric vehicle (s-HEV) on fuel economy and exhaust gas purification performance. Engine and TWC models were developed in GT-Power to predict exhaust emissions during transient operation. These models were validated against data from vehicle tests using a chassis dynamometer and integrated into an s-HEV model built in MATLAB/Simulink. The s-HEV model accurately reproduced the performance characteristics of the vehicle’s engine, motor, generator, and battery during WLTC mode operation. It can thus be used to predict the fuel consumption, emissions, and performance of individual powertrain components. The engine combustion characteristics were reproduced with reasonable accuracy for the first 50 combustion cycles, representing the cold-start condition of the driving mode.

The objective of the present research is to analyze the effects of using oxygenated fuels (FAMEs) on diesel engine combustion and emission (NOx and soot). We studied methyl oleate (MO), which is an oxygenated fuel representative of major constituents of many types of biodiesels. Engine tests and numerical simulations were performed for 100% MO (MO100), 40% MO blended with JIS#2 diesel (MO40) and JIS#2 diesel (D100). The effects of MO on diesel combustion and emission characteristics were studied under engine operating conditions typically encountered in passenger car diesel engines, focusing on important parameters such as pilot injection, injection pressure and exhaust gas recirculation (EGR) rate. We used a diesel engine complying with the EURO4 emissions regulation, having a displacement of 2.2 L for passenger car applications. In engine tests comparing MO with diesel fuel, no effect on engine combustion pressure was observed for all conditions tested.

We have constructed a quasi-2-dimensional NH₃-SCR model with detailed surface reactions to analyze the NOx conversion mechanism and reasons for its inhibition at low temperatures. The model consists of seven detailed surface reactions proposed by Grozzale et al., and calculates longitudinal gas flow, gas phase-catalyst phase mass transfer, and mass diffusion within the catalyst phase in the depth dimension. Using the model, we have analyzed the results of pulsed ammonia (NH₃) feed tests at various catalyst temperatures, and results show that ammonium nitrate (NH₄NO₃) is the inhibitor in NH₃-SCR reactions at low temperatures. In addition, we found that cutting the supply of NH₃ causes decomposition of NH₄NO₃, providing surface ammonia (NH₄+), which rapidly reacts with adjacent NOx, leading to an instantaneous rise in nitrogen (N₂) formation.

A CFD code combined with detailed chemical kinetics has been developed, linking with KIVA-3 and subroutines in CHEMKIN-II directly with some modifications. By using this CFD code, formation processes of combustion and exhaust gas emission for a turbo-charged DI diesel engine with common rail fuel injection system were simulated. As a result, formation processes of pollutant including NOx and soot were also considered according to the calculation results. The results show that NO caused by the extended Zeldvich mechanism accounted for about 88% of all NO, and it was found that there is a possibility to predict where and when soot will be formed by considering a simplified soot formation model.

An experimental ultra lightweight compact vehicle named “the Waseda Future Vehicle” has been designed and developed, aiming at a simultaneous achievement of low exhaust gas emissions, high fuel economy and driving performance. The vehicle is powered by a dual-type hybrid system having a SI engine, electric motor and generator. A high performance lithium-ion battery unit is used for electricity storage. A variety of driving cycles were reproduced using the hybrid vehicle on a chassis dynamometer. By changing the logics and parameters in the electronic control unit (ECU) of the engine, a significant improvement in emissions was possible, achieving a very high fuel economy of 34 km/h at the Japanese 10-15 drive mode. At the same time, a numerical simulation model has been developed to predict fuel economy. This would be very useful in determining design factors and optimizing operating conditions in the hybrid power system.

Experimental and numerical studies on the combustion of the particulate matter in the diesel particulate filter with the particulate matter loaded under different particulate matter loading condition were carried out. It was observed that the pressure losses through diesel particulate filter loaded with particulate matter having different mean aggregate particle diameters during both particulate matter loading and combustion periods. Diesel particulate filter regeneration mode was controlled with introducing a hot gas created in Diesel Oxidation Catalyst that oxidized hydrocarbon injected by a fuel injector placed on an exhaust gas pipe. The combustion amount was calculated with using a total diesel particulate filter weight measured by the weight meter both before and after the particulate matter regeneration event.

Three types of combustion chamber configurations (Types A, B, and C) with compression ratio lower than that of the baseline were tested for improved performance and exhaust gas emissions from an inline-four-cylinder 1.7-liter common-rail diesel engine manufactured for use with passenger cars. First, three combustion chambers were examined numerically using CFD code. Second, engine tests were conducted by using Type B combustion chamber, which is expected to have the best performance and exhaust gas emissions of all. As a result, 80% of NOx emissions at both low and medium loads at 1500 rpm, the engine speed used frequently in the actual city driving, improved with nearly no degradation in smoke emissions and brake thermal efficiency. It was shown that a large amount of cooled EGR enables NOx-free combustion with long ignition delay.

This paper describes the development of a High Speed Calculation Diesel Combustion Model that predicts combustion-related behaviors of diesel engines from passenger cars. Its output is dependent on the engine's operating parameters and on input from on-board pressure and temperature sensors. The model was found to be capable of predicting the engine's in-cylinder pressure, rate of heat release, and NOx emissions with a high degree of accuracy under a wide range of operating conditions at a reasonable computational cost. The construction of this model represents an important preliminary step towards the development of an integrated Model Based Control system for controlling combustion in diesel engines used in passenger cars.

The efficiency of the NOx Storage and Reduction (NSR) catalysts used in the aftertreatment of diesel engine exhaust gases can potentially be increased by using reactive reductants such as CO and H₂ that are formed during in-cylinder combustion. In this study, a multi-dimensional computational fluid dynamics (CFD) code coupled with complex chemical analysis was used to study combustion with various fuel after-injection patterns. The results obtained will be useful in designing fuel injection strategies for the efficient formation of CO.

The objective of the present research is to investigate the effects on diesel engine combustion and NOx and PM emission characteristics in case of blending the ordinary diesel fuel with biodiesel in passenger car diesel engines. Firstly, we conducted experiments to identify the combustion and emissions characteristics in a modern diesel engine complying with the EURO 4 emission standard. Then, we developed a numerical simulation model to explain and generalize biodiesel combustion phenomena in detail and generalize emission characteristics. The experimental and simulation results are useful to reduce biodiesel emissions by controlling engine operating and design parameters in the diesel engine. Engine tests were conducted and a mathematical model created to investigate the effects of 40% and 100% methyl oleate modeled fuel representing Jatropha-derived biodiesel on diesel combustion and emission characteristics, over a wide range of passenger car DI diesel engine operating conditions.

Urea-SCR system has a high NOx reduction potential in the steady-state diesel engine operation. In complicated transient operations, however, there are certain problems with the urea-SCR system in that NOx reduction performance degrades and adsorbed NH3 would be emitted. Here, optimum urea injection methods and exhaust bypass control to overcome these problems are studied. This exhaust bypass control enables NO/NOx ratio at the inlet of SCR catalyst to be decreased widely, which prevents over production of NO2 at the pre-oxidation catalyst. Steady-state and simple transient engine tests were conducted to clarify NOx reduction characteristics when optimum urea injection pattern and exhaust bypass control were applied. In simple transient test, only the engine load was rapidly changed for obtaining the fundamental knowledge concerning the effect of those techniques.

A numerical model has been developed to predict the formation of NOx and formaldehyde in the combustion and post-combustion zones of a methanol DI engine. For this purpose, a methanol-air mixture model combined with a full kinetics model has been introduced, taking into account 39 species with their 157 related elementary reactions. Through these kinetic simulations, a concept is proposed for optimizing methanol combustion and reducing exhaust emissions.