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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'.

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.

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.

Compared with petroleum fuel, liquefied petroleum gas (LPG) demonstrates advantages in low CO₂ emission. This is because of propane (C₃H₈), n-butane (n-C₄H₁₀) and i-butane (i-C₄H₁₀), which are the main components of LPG, making H/C ratio higher. In addition, LPG is suitable for high efficient operation of a spark ignition (SI) engine due to its higher research octane number (RON). Because of these advantages, that is, diversity of energy source and reduction of CO₂, in the past several years, LPG vehicles have widely been used as the alternate gasoline vehicles all over the world. Consequently, it is absolutely essential for the performance increase in LPG vehicles to comprehend combustion characteristics of LPG. In this study, the differences of laminar burning velocity between C₃H₈, n-C4H10, i-C₄H₁₀ and regular gasoline were evaluated experimentally with the use of a constant volume combustion chamber (CVCC).

A numerical study was carried out to investigate combustion characteristics of a dual-fuel gas diesel engine, using a multi-dimensional model combined with detailed chemical kinetics, including 43 chemical species and 173 elementary reactions. In calculations, the effects of initial temperature, EGR ratios on ignition, and combustion were examined. The results indicated EGR combined with intake preheating can favorably reduced NOx and THC emissions simultaneously. This can be explained by the fact that combustion mechanism is changed from flame propagation to HCCl like combustion.

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.

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.

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.

Natural gas is an attractive alternative fuel for internal combustion engines. Homogeneous charge compression ignition (HCCI) combustion is considered to be one of the most promising measures for increasing thermal efficiency and reducing emissions, but it is difficult to control and stabilize its ignition and combustion processes. This paper describes an experimental study of natural gas combustion utilizing two types of ignition assistance. Spark assistance, which is used for conventional spark ignition (SI) engines, and pilot diesel injection, hereinafter called diesel pilot, which generates multiple ignition points by using a small injection of diesel that accounts for 2% of the total heat release for the cycle. The performance of these two approaches was compared with respect to various combustion characteristics when burning homogeneous natural gas mixtures at a high compression ratio.

Homogeneous Charge Compression Ignition (HCCI) is effective for the simultaneous reduction of soot and NOx emissions in diesel engine. In general, high octane number fuels (gasoline components or gaseous fuels) are used for HCCI operation, because these fuels briefly form lean homogeneous mixture because of long ignition delay and high volatility. However, it is necessary to improve injection systems, when these high octane number fuels are used in diesel engine. In addition, the difficulty of controlling auto-ignition timing must be resolved. On the other hand, HCCI using diesel fuel (diesel HCCI) also needs ignition control, because diesel fuel which has a low octane number causes the early ignition before TDC. The purpose of this study is the ignition and combustion control of diesel HCCI. The effects of parameters (injection timing, injection pressure, internal/external EGR, boost pressure, and variable valve timing (VVT)) on the ignition timing of diesel HCCI were investigated.

To facilitate research and development of diesel engines, the universal numerical code for predicting diesel combustion has been favored for the past decade. In this paper, the finite-rate elementary chemical reactions, sometimes called the detailed chemical reactions, are introduced into the KIVA-3V code through the use of the Partially Stirred Reactor (PaSR) model with the KH-RT break-up, modified collision and velocity interpolation models. Outcomes were such that the predicted pressure histories have favorable agreements with the measurements of single and double injection cases in the diesel engine for use in passenger cars. Thus, it is demonstrated that the present model will be a useful tool for predicting ignition and combustion characteristics encountered in the cylinder.

A mixed timescale subgrid model of a large eddy simulation was used to simulate the turbulence regime in diesel engine combustion. The combustion model used the direct integration approach with a diesel oil surrogate mechanism (developed at Chalmers University of Technology and consisting of 70 species and 309 reactions). Additional reactions for the generation and consumption of OH*, CO2*, and CH* species were added from recent kinetic studies. Collisional quenching and spontaneous emission resulted in de-excitation of the excited state radical. A phenomenological soot formation model (developed at Waseda University) was combined with the LES code. The following important steps were considered in the soot model: particle inception where naphthalene grows irreversibly to form soot, surface growth with the addition of C2H2, surface oxidation (induced by OH radicals and O2 attack), and particle coagulation.

This paper aims to validate chemical kinetic mechanisms of surrogate gasoline three components fuel by calculating one-dimensional laminar burning velocity of iso-octane/air mixture. Next, the application of level-set method on premixed combustion without consideration the effect of turbulence eddies on flame front is also studied in three-dimensional computational fluid dynamic (3D-CFD) simulation. In the 3D CFD simulation, there is an option to calculate laminar burning velocity by using empirical correlations, however it is applicable only for particular initial pressure and temperature in spark ignition engine cases. One-dimensional burning velocities from lean to rich of iso-octane/air mixture are calculated by using CHEMKIN-PRO with detailed chemistry and transport phenomena as a function of different equivalence ratios, different unburnt temperature and pressure ranges.

Three-way catalyst (TWC) converters are used to remove harmful substances (e.g., carbon monoxide (CO), nitrogen oxides (NOx), and hydrocarbons (HC)) emitted from gasoline engines. However, a large amount of emissions could be emitted before the TWC reaches its light-off temperature during a cold start. For hybrid electric vehicles (HEVs) powered by gasoline engines, the emission purification performance by TWC converters unfortunately deteriorates because of mode switching from engine to battery and vice versa, which can repeatedly generate cold start conditions for the TWCs. In this study, aiming to reduce emissions from series HEVs by early activation of TWCs, numerical simulations and experiments are carried out. An HEV is tested on a chassis dynamometer in the Worldwide Light-duty Test Cycle (WLTC) mode. The upstream and downstream gas conditions of the close-coupled catalyst converter are measured.

Pre-chamber spark ignition technology can stabilize combustion and improve thermal efficiency of lean burn natural gas engines. During compression stroke, a homogeneous lean mixture is introduced into pre-chamber, which separates spark plug electrodes from turbulent flow field. After the pre-chamber mixture is ignited, the burnt jet gas is discharged through multi-hole nozzles which promotes combustion of the lean mixture in the main chamber due to turbulence caused by high speed jet and multi-points ignition. However, details mechanism in the process has not been elucidated. To design the pre-chamber geometry and to achieve stable combustion under the lean condition for such engines, it is important to understand the fundamental aspects of the combustion process. In this study, a high-speed video camera with a 306 nm band-pass filer and an image intensifier is used to visualize OH* self-luminosity in rapid compression-expansion machine experiment.

Natural gas is a promising alternative fuel for internal combustion engines because of its clean combustion characteristics and abundant reserves. However, it has several disadvantages due to its low energy density and low thermal efficiency at low loads. Thus, to assist efforts to improve the thermal efficiency of spark-ignited (SI) engines operating on natural gas and to minimize test procedures, a numerical simulation model was developed to predict and optimize the performance of a turbocharged test engine, considering flame propagation, occurrence of knock and ignition timing. The numerical results correlate well with empirical data, and show that increasing compression ratios and retarding the intake valve closing (IVC) timing relative to selected baseline conditions could effectively improve thermal efficiency. In addition, employing moderate EGR ratios is also effective for avoiding knock.