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To reproduce wall quenching phenomena using 3D-CFD, a wall quenching model was constructed based on the Peclet number. The model was further integrated with the flame propagation model. Combustion analysis showed that that a large amount of unburned hydrocarbons (UHCs) remained in the piston clevis and small gaps. Furthermore, the model was capable of predicting the increase in UHC emissions when there was a delay in the ignition time. The flame front cells were plotted on Peters' premixed turbulent combustion diagram to identify transitions in the combustion states. It was found that the flame surface transitioned from corrugated flamelets through thin reaction zones to wrinkled flamelets and further to laminar flamelets, which led to wall quenching. The turbulent Reynolds number (Re) decreased rapidly due to the increase in laminar flame speed and flame thickness and the decrease in turbulent intensity and turbulent scale.

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'.

Natural gas has been used in spark-ignition (SI) engines of natural gas vehicles (NGVs) due to its resource availability and stable price compared to gasoline. It has the potential to reduce carbon monoxide emissions from the SI engines due to its high hydrogen-to-carbon ratio. However, short running distance is an issue of the NGVs. In this work, methodologies to improve the fuel economy of a heavy-duty commercial truck under the Japanese Heavy-Duty Driving Cycle (JE05) is proposed by numerical 1D-CFD modeling. The main objective is a comparative analysis to find an optimal fuel economy under three variable mechanisms, variable valve timing (VVT), variable valve actuation (VVA), and variable compression ratio (VCR). Experimental data are taken from a six-cylinder turbocharged SI engine fueled by city gas 13A. The 9.83 L production engine is a CR11 type with a multi-point injection system operated under a stoichiometric mixture.

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.

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).

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.

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.

Experimental and numerical studies on PAHs (Polycyclic Aromatic Hydrocarbons) and PM (Particulate Matters) formed in the fuel rich mixture have been conducted. In the experiment, neat n-heptane and n-heptane with benzene 25 % by weight were chosen as test fuels. In-cylinder gases produced by the fuel-rich HCCI (Homogeneous Charge Compression Ignition) combustion were directly sampled and analyzed by the use of GC/MS (Gas Chromatograph/Mass Spectro- metry), and PM emission was also measured by PM sampling system to reveal characteristics of PM formation. Numerical study has been also carried out using a zero dimensional combustion model combined with detailed chemistry. Furthermore, simple surface growth of soot particles was integrated into a detailed chemical kinetic model, and validated with the experimental data.

A dual fuel natural gas diesel engine suffers from remarkably lower thermal efficiency and higher THC, CO emissions at lower load because of its lower burned mass fraction caused by the lean pre-mixture. To overcome this inevitable disadvantage at lower load, two methods of reducing the number of operating cylinders were examined. One method was to use the two cylinders operation while the second one was to use the quasi-two cylinders operation. As a result, it was found that the unburned hydrocarbons and CO emissions could be favorably reduced with the improvement of thermal efficiency by reducing the number of cylinders to half for a dual fuel natural gas diesel engine. Moreover, it was also found that the quasi-two cylinders operation could improve the torque fluctuation more compared to the two cylinders operation.

A numerical study was carried out to investigate auto-ignition characteristics during HCCI predicted by using zero and multi-dimensional models combined with detailed kinetics including 116 chemical species and 689 elementary reactions involving iso-octane. In the simulation, homogeneous charge compression ignition of the fuel was analyzed under the same conditions as encountered in internal combustion engines. The results elucidated the combustible region and oxidation process of iso-octane with the formation and destruction of various chemical species in the cylinder.

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.

Experimental and numerical studies are conducted on the formation of soot and Polycyclic Aromatic Hydrocarbons (PAHs), regarded as precursors of soot, during the combustion of fuel-rich homogeneous n-heptane mixtures. In-cylinder gases are sampled directly through a high-speed solenoid valve in engine tests, to be analyzed by GC/MS for qualifying PAHs. Smoke concentration is also measured. A numerical study is carried out by using a zero-dimensional model combined with detailed chemical kinetics. The experiments and computations show that PAHs can be predicted qualitatively by means of the present kinetic 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.

Fuel temperature in the injector of small direct injection gasoline engine is high. On some conditions it is higher than saturated temperature. Over saturated temperature spray characteristics greatly change. In order to predict in-cylinder phenomena accurately, it is important to understand spray behavior and mixture process above saturated temperature. Therefore spray shape, mixture formation process and Sauter mean radius were (SMR) measured in a constant volume chamber. And based on the measurement result initial spray boundary conditions were arranged so that spray characteristics over saturated temperature could be represented by using CFD code KIVA-3[1]. Moreover KIVA-3 code was combined with detailed chemical kinetics code Chemkin II to predict combustion products. [2] Calculated combustion process was validated with visualization of chemiluminescence. As a result, spray shape and penetration length have good agreement with measured ones for each fuel temperature.

Natural gas pre-mixture is ignited by a small amount of pilot fuel in the dual fuel engine. In this paper, numerical studies were carried out to investigate the combustion and exhaust gas emissions formation process of this engine type by using a multi dimensional model combined with the detailed chemical kinetics including 57 chemical species and 290 elementary reactions. In calculation, the effect of the pre-mixture concentration on combustion was examined. The result indicated that the increased concentration of natural gas could improve the burning fraction and THC, CO emissions due to the increased pre-mixture consumption rate and the cylinders gas temperature.

It has been recognized that alternative fuels such as liquid petroleum gas (LPG) has less polluting combustion characteristics than diesel fuel. Direct-injection stratified-charge combustion LPG engines with spark-ignition can potentially replace conventional diesel engines by achieving a more efficient combustion with less pollution. However, there are many unknowns regarding LPG spray mixture formation and combustion in the engine cylinder thus making the development of high-efficiency LPG engines difficult. In this study, LPG was injected into a high pressure and temperature atmosphere inside a constant volume chamber to reproduce the stratification processes in the engine cylinder. The spray was made to hit an impingement wall with a similar profile as a piston bowl. Spray images were taken using the Schlieren and laser induced fluorescence (LIF) method to analyze spray penetration and evaporation characteristics.

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.