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Journal Article

Development of Clean Diesel NOx After-treatment System with Sulfur Trap Catalyst

2010-04-12
2010-01-0303
Diesel engines with relatively good fuel economy are known as an effective means of reducing CO₂ emissions. It is expected that diesel engines will continue to expand as efforts to slow global warming are intensified. Diesel particulate and NOx reduction system (DPNR), which was first developed in 2003 for introduction in the Japanese and European markets, shows high purification performance which can meet more stringent regulations in the future. However, it is poisoned by sulfur components in exhaust gas derived from fuel and lubricant. We then developed the sulfur trap DPNR with a sulfur trap catalyst that traps sulfur components in the exhaust gas. High purification performance could be achieved with a small amount of platinum group metal (PGM) due to prevention of sulfur poisoning and thermal deterioration.
Technical Paper

Reaction Analysis and Modeling of Fast SCR in a Cu-Chabazite SCR Catalyst Considering Generation and Decomposition of Ammonium Nitrate

2021-09-05
2021-24-0073
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'.
Technical Paper

Reaction Path Analysis and Modeling of NOx Reduction in a Cu-chabazite SCR Catalyst Considering Cu Redox Chemistry and Reversible Hydrolysis of Cu Sites

2020-09-15
2020-01-2181
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.
Technical Paper

A Model for Predicting Turbulent Burning Velocity by using Karlovitz Number and Markstein Number under EGR Conditions

2021-09-21
2021-01-1146
The purpose of this paper is to build up a model for predicting turbulent burning velocity which can be used for One-Dimensional (1D) engine simulation. This paper presents the relationship between turbulent burning velocity, the Karlovitz number, and the Markstein number for building up the prediction model. The turbulent burning velocity was measured using a single-cylinder gasoline engine, which has an external Exhaust Gas Recirculation (EGR) system. In the experiment, various engine operating parameters, e.g. engine loads and EGR rates, and various engine specifications, i.e. different types of intake ports were tested. The Karlovitz number was calculated using Three-Dimensional Computational Fluid Dynamics (3D-CFD) and detailed chemical kinetics simulation with a premixed laminar flame model. The Markstein number was also calculated using detailed chemical kinetics simulation with the Extinction of Opposed-flow Flame model.
Technical Paper

Effects of Partial Oxidation in an Unburned Mixture on a Flame Stretch under EGR Conditions

2021-09-21
2021-01-1165
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).
Journal Article

Experiments and Simulations of a Lean-Boost Spark Ignition Engine for Thermal Efficiency Improvement

2015-11-17
2015-32-0711
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.
Journal Article

Detailed Diesel Combustion and Soot Formation Analysis with Improved Wall Model Using Large Eddy Simulation

2015-11-17
2015-32-0715
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.
Technical Paper

Conversion Performance Prediction of Thermal-Deteriorated Three-Way Catalysts: Surface Reaction Model Development Considering Platinum Group Metals and Co-Catalyst

2021-09-05
2021-24-0077
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.
Technical Paper

A Novel Integrated Series Hybrid Electric Vehicle Model Reveals Possibilities for Reducing Fuel Consumption and Improving Exhaust Gas Purification Performance

2021-09-21
2021-01-1244
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.
Journal Article

A Numerical Study of the Effects of FAME Blends on Diesel Combustion and Emissions Characteristics Using a 3-D CFD Code Combined with Detailed Kinetics and Phenomenological Soot Formation Models

2013-10-14
2013-01-2689
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.
Journal Article

ANALYSIS OF NOx CONVERSION USING A QUASI 2-D NH3-SCR MODEL WITH DETAILED REACTIONS

2011-08-30
2011-01-2081
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.
Journal Article

Development of Di-Air - A New Diesel deNOx System by Adsorbed Intermediate Reductants

2011-08-30
2011-01-2089
An unprecedented phenomenon that achieves high NOx conversion was found over an NSR catalyst. This phenomenon occurs when continuous short cycle injections of hydrocarbons (HCs) are supplied at a predetermined concentration in lean conditions. Furthermore, this phenomenon has a wider range of applicability for different catalyst temperatures (up to 800 degrees Celsius) and SVs, and for extending thermal and sulfur durability than a conventional NOx storage and reduction system. This paper analyzes the reaction mechanism and concludes it to be highly active HC-deNOx by intermediates generated from adsorbed NOx over the base catalysts and HCs partially oxidized by oscillated HC injection. Subsequently, a high performance deNOx system named Di-Air (diesel NOx aftertreatment by adsorbed intermediate reductants) was demonstrated that applies this concept to high speed driving cycles.
Technical Paper

Development of Next-Generation NOx Reduction System for Diesel Exhaust Emission

2008-04-14
2008-01-0065
Diesel particulate and NOx reduction system (DPNR) is an effective technology for the diesel after-treatment system, which can reduce particulate matter (PM) and nitrogen oxides (NOx) simultaneously. The DPNR has been developed under the Toyota D-CAT (Diesel Clean Advanced Technology) concept. Further improvement of the DPNR is hoped for cleaner air in the future. This paper reviews the results of our study to improve the NOx purification performance on the DPNR. The NOx reduction performance of the catalysts deteriorates due to thermal deterioration and sulfur poisoning. In order to improve the thermal resistance of the catalysts, the suppression of precious metal sintering in the catalyst has been studied. As a result, higher catalytic activity after aging especially under lower temperature conditions was obtained. On the other hands, improvement of desulfurization performance is one of the key technologies in order to keep the high NOx reduction capability of the catalyst.
Technical Paper

A New Dynamic Combustion Control Method Based on Charge Oxygen Concentration for Diesel Engines

2003-10-27
2003-01-3181
The introduction of a large amount of EGR gas into cylinders is effective for reducing exhaust emissions in diesel engines. As combustion characteristics under the condition of higher EGR rate are highly influenced by the amount of intake charge gas and its composition. It requires a precise control method for preventing the increase of NOx and particulate matter (PM) in spite of the transient conditions of supercharging and tolerance of turbocharger. In this study, a new control method was developed based on the observed oxygen concentration of charge gas and excess air ratio (stands for the oxygen concentration of burnt gas) which are the main physical factors governing NOx and PM formation. In a conventional method, the intake airflow rate is controlled to meet a target value determined in advance in the stationary engine operating condition.
Technical Paper

Optimization of Diesel Engine Aftertreatment System with a Model of Hydrocarbon Selective Catalyst Reduction (HC-SCR) and Evolutionary Programming

2002-03-04
2002-01-0954
A new method that optimizes the control map of hydrocarbon addition to diesel exhaust gas for hydrocarbon selective catalyst reduction (HC-SCR) has been developed. This method is comprised of a numerical HC-SCR model and a new optimization technique using Evolutionary Programming based on the evolution of living things. As a result of this evaluation, the number of calculations to obtain the optimized control map with this method was one third that using the conventional method. By using the obtained optimized control map, the NOx conversion was found to be greater by 18% than that with the constant addition of hydrocarbon.
Technical Paper

A Numerical Study on Ignition and Combustion of a DI Diesel Engine by Using CFD Code Combined with Detailed Chemical Kinetics

2003-05-19
2003-01-1847
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.
Technical Paper

Improvement of Combustion and Exhaust Gas Emissions in a Passenger Car Diesel Engine by Modification of Combustion Chamber Design

2006-10-16
2006-01-3435
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.
Technical Paper

Modeling of Diesel Engine Components for Model-Based Control (Second Report): Prediction of Combustion with High Speed Calculation Diesel Combustion Model

2011-08-30
2011-01-2044
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.
Technical Paper

3-D CFD Analysis of CO Formation in Diesel Combustion - The use of intake air throttling to create reducing atmospheres for NSR catalysts -

2011-08-30
2011-01-1841
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.
Technical Paper

The Effects of Jatropha-derived Biodiesel on Diesel Engine Combustion and Emission Characteristics

2012-09-10
2012-01-1637
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.
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