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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

Numerical Methods on VVA and VCR Concepts for Fuel Economy Improvement of a Commercial CNG Truck

2020-09-15
2020-01-2083
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.
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

Modeling and Controlling Active Regeneration of a Diesel Particulate Filter

2020-09-15
2020-01-2176
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.
Technical Paper

Influence of Diesel Post Injection Timing on HC Emissions and Catalytic Oxidation Performance

2006-10-16
2006-01-3442
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).
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.
Technical Paper

Study on Burning Velocity of LPG Fuel in a Constant Volume Combustion Chamber and an SI Engine

2010-04-12
2010-01-0614
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).
Technical Paper

Experimental Study on Unregulated Emission Characteristics of Turbocharged DI Diesel Engine with Common Rail Fuel Injection System

2003-10-27
2003-01-3158
In this study, we selected four unregulated emissions species, formaldehyde, benzene, 1,3-butadiene and benzo[a]pyrene to research the emission characteristics of these unregulated components experimentally. The engine used was a water-cooled, 8-liter, 6-cylinder, 4-stroke-cycle, turbocharged DI diesel engine with a common rail fuel injection system manufactured for the use of medium-duty trucks, and the fuel used was JIS second-class light gas oil, which is commercially available as diesel fuel. The results of experiments indicate as follows: formaldehyde tends to be emitted under the low load condition, while 1,3-butadiene is emitted at the low engine speed. This is believed to be because 1,3-butadiene decomposes in a short time, and the exhaust gas stays much longer in a cylinder under the low speed condition than under the high engine speed one. Benzene is emitted under the low load condition, as it is easily oxidized in high temperature.
Technical Paper

A Numerical Study on Combustion and Exhaust Gas Emissions Characteristics of a Dual Fuel Natural Gas Engine Using a Multi-Dimensional Model Combined With Detailed Kinetics

2002-05-06
2002-01-1750
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.
Technical Paper

Improvement of Combustion in a Dual Fuel Natural Gas Engine with Half the Number of Cylinders

2003-05-19
2003-01-1938
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.
Technical Paper

A Numerical Study on Combustion and Exhaust Gas Emissions Characteristics of a Dual Fuel Natural Gas Engine Using a Multi-Dimensional Model Combined with Detailed Kinetics

2003-05-19
2003-01-1939
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.
Technical Paper

Mixture formation and combustion characteristics of directly injected LPG spray

2003-05-19
2003-01-1917
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.
Technical Paper

A Quasi Two Dimensional Model of Transport Phenomena in Diesel Particulate Filters - The Effects of Particle Diameter on the Pressure Drop in DPF Regeneration Mode-

2016-10-17
2016-01-2282
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.
Technical Paper

A Study on the Characteristics of Natural Gas Combustion at a High Compression Ratio by Using a Rapid Compression and Expansion Machine

2012-09-10
2012-01-1651
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.
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.
Technical Paper

Controlling Combustion Characteristics Using a Slit Nozzle in a Direct-Injection Methanol Engine

1994-10-01
941909
A new type of fuel injection nozzle, called a “slit nozzle,” has been developed to improve poor ignitability and to stabilize combustion under low load conditions in direct-injection methanol diesel engines manufactured for medium-duty trucks. This nozzle has a single oblong vent like a slit. Engine test results indicate that the slit nozzle can improve combustion and thermal efficiency, especially at low loads and no load. This can be explained by the fact that the slit nozzle forms a more highly concentrated methanol spray around the glow-plug than do multi-hole nozzles. As a result, this nozzle improves flame propagation.
Technical Paper

Predicting Exhaust Emissions in a Glow-Assisted DI Methanol Engine Using a Combustion Model Combined with Full Kinetics

1996-10-01
961935
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.
Technical Paper

Simulating Exhaust Emissions Characteristics and Their Improvements in a Glow-Assisted DI Methanol Engine Using Combustion Models Combined with Detailed Kinetics

1997-05-01
971598
An experimental and numerical study has been conducted on the emission and reduction of HCHO (formaldehyde) and other pollutants formed in the cylinder of a direct-injection diesel engine fueled by methanol. Engine tests were performed under a variety of intake conditions including throttling, heating, and EGR (exhaust gas recirculation) for the purpose of improving these emissions by changing gas compositions and combustion temperatures in the cylinder. Moreover, a detailed kinetics model was developed and applied to methanol combustion to investigate HCHO formation and the reduction mechanism influenced by associated elementary reactions and in-cylinder mixing.
Technical Paper

Analysis and Modeling of NOx Reduction Based on the Reactivity of Cu Active Sites and Brønsted Acid Sites in a Cu-Chabazite SCR Catalyst

2019-09-09
2019-24-0150
The NOx-reducing activity of a Cu-chabazite selective catalytic reduction (SCR) catalyst was analyzed over a wide temperature range. The analysis was based on the ammonia SCR (NH3-SCR) mechanism and accounted for Cu redox chemistry and reactions at Brønsted acid sites. The reduction of NOx to N2 (De-NOx) at Cu sites was found to proceed via different paths at low and high temperatures. Consequently, the rate-limiting step of the SCR reaction at Cu sites varied with the temperature. The rate of NOx reduction at Cu sites below 200°C was determined by the rate of Cu oxidation. Conversely, the rate of NOx reduction above 300°C was determined by the rate of NH3 adsorption on Cu sites. Moreover, the redox state of the active Cu sites differed at low and high temperatures. To clarify the role of the chabazite Brønsted acid sites, experiments were also performed using a H-chabazite catalyst that lacks Cu sites.
Technical Paper

Effects of Soot Deposition on NOx Purification Reaction and Mass Transfer in a SCR/DPF Catalyst

2018-09-10
2018-01-1707
Experimental studies were carried out to investigate the effect of soot deposition on NOx purification phenomena in an ammonia selective catalytic reduction coated diesel particulate filter (SCR/DPF) catalyst. To study soot deposition effects on the chemical reactions and mass transfer, two types of testing device were used. A synthetic gas bench enabling tests to be conducted with temperature and flow rate ranges relevant to real driving conditions was used to investigate the soot influence on reduction of NOx to N2 (DeNOx). A micro-reactor that removed the effect of soot deposition on mass transfer in the catalyst layer was used to analyze chemical reactions on a soot surface and their interaction with the SCR catalyst. A filter test brick of a Cu-zeolite SCR/DPF catalyst and a powder catalyst were used for the synthetic gas bench and micro-reactor tests, respectively. Engine soot was sampled in all the tests.
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