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Technical Paper

Acceleration of Fast-SCR Reactions by Eliminating “The Ammonia Blocking Effect”

2024-06-12
2024-37-0001
The recent and future trends of energy for heavy-duty vehicles are considered e-fuel, H2, and electricity, and the Selective Catalytic Reduction (SCR) system is necessary for achieving the goals of zero-emission internal combustion engines that use e-fuel and H2 as a fuel. The Japanese automotive industry uses a Cu-zeolite based SCR catalyst since Vanadium is designated as a specific chemical substance, which the Ministry of Environment prohibits its release into the atmosphere. This study attempted purification rate improvement by controlling the NH3 supply with a mini-reactor and by simulated exhaust gas. Specifically, the experiment was done by examining the effect of the pulse amplitude, frequency, and duty ratio on the purification rate by supplying the NH3 pulse injection to the test piece Cu-chabazite catalyst. Additionally, the results of the reactor experiment were validated by numerical simulation considering the detailed surface reaction processes on the catalyst.
Technical Paper

Effects of Pre-Chamber Internal Shape on CH4-H2 Combustion Characteristics Using Rapid-Compression Expansion Machine Experiments and 3D-CFD Analysis

2023-08-28
2023-24-0043
Pre-chamber (PC) natural gas and hydrogen (CH4-H2) combustion can improve thermal efficiency and greenhouse gas emissions from decarbonized stationary engines. However, the engine efficiency is worsened by prolonged combustion duration due to PC jet velocity extinction. This work investigates the impact of cylindrical PC internal shapes to increase its jet velocity and shorten combustion duration. A rapid compression and expansion machine (RCEM) is used to investigate the combustion characteristics of premixed CH4 gas. The combustion images are recorded using a high-speed camera of 10,000 fps. The experiments are conducted using two types of long PC shapes with diameters φ=4 mm (hereafter, longφ4) and 5 mm (hereafter, long φ5), and their combustions are compared against a short PC shape (φ=12 mm). For all designs of the PC shapes, the PC holes are 6 with 2 mm in diameter.
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

Analysis of NH3 Diffusion Phenomena in a Selective Catalytic Reduction Coated Diesel Particulate Filter Catalyst Using a Simple One-Dimensional Core Model

2019-12-19
2019-01-2236
This paper describes a method for estimating constants related to NH3 gas diffusion phenomena to the active sites in a selective catalytic reduction diesel particulate filter (SCR/DPF) catalyst. A simple one-dimensional NH3 gas diffusion model based on the pore structure inside the catalyst was developed and used to estimate the intracrystalline diffusion coefficient. It was shown that the estimated value agreed well with experimental data.
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

A Fundamental Study on Combustion Characteristics in a Pre-Chamber Type Lean Burn Natural Gas Engine

2019-09-09
2019-24-0123
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.
Technical Paper

A Study on Combustion Characteristics of a High Compression Ratio SI Engine with High Pressure Gasoline Injection

2019-09-09
2019-24-0106
In order to improve thermal efficiency of spark ignition (SI) engines, an improved technology to avoid irregular combustion under high load conditions of high compression ratio SI engines is required. In this study, the authors focused on high pressure gasoline direct injection in a high compression ratio SI engine, which its rapid air-fuel mixture formation, turbulence, and flame speed, are enhanced by high-speed fuel spray jet. Effects of fuel injection pressure, injection and spark ignition timing on combustion characteristics were experimentally and numerically investigated. It was found that the heat release rate was drastically increased by raising the fuel injection pressure. The numerical simulation results show that the high pressure gasoline direct injection enhanced small-scale turbulent intensity and fuel evaporation, simultaneously.
Technical Paper

Kinetic Modeling of Ammonia-SCR and Experimental Studies over Monolithic Cu-ZSM-5 Catalyst

2019-01-15
2019-01-0024
Ammonia-selective catalytic reduction (SCR) systems have been introduced commercially in diesel vehicles, however catalyst systems with higher conversion efficiency and better control characteristics are required to know the actual emissions during operation and the emissions in random test cycles. Computational fluid dynamics (CFD) is an effective approach when applied to SCR catalyst development, and many models have been proposed, but these models need experimental verification and are limited in the situations they apply to. Further, taking account of redox cycle is important to have better accuracy in transient operation, however there are few models considering the cycle. Model development considering the redox reactions in a zeolite catalyst, Cu-ZSM-5, is the object of the research here, and the effects of exhaust gas composition on the SCR reaction and NH3 oxidation at high temperatures are investigated.
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.
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.
Journal Article

An Investigation on the Ignition Characteristics of Lubricant Component Containing Fuel Droplets Using Rapid Compression and Expansion Machine

2016-10-17
2016-01-2168
With the development of downsized spark ignition (SI) engines, low-speed pre-ignition (LSPI) has been observed more frequently as an abnormal combustion phenomenon, and there is a critical need to solve this issue. It has been acknowledged that LSPI is not directly triggered by autoignition of the fuel, but by some other material with a short ignition delay time. It was previously reported that LSPI can be caused by droplets of lubricant oil intermixed with the fuel. In this work, the ignition behavior of lubricant component containing fuel droplets was experimentally investigated by using a constant volume chamber (CVC) and a rapid compression and expansion machine (RCEM), which enable visualization of the combustion process in the cylinder. Various combinations of fuel compositions for the ambient fuel-air mixture and fractions of base oil/metallic additives/fuel for droplets were tested.
Technical Paper

A Quasi Two Dimensional Model of Transport Phenomena in Diesel Particulate Filters - The Effects of Particle and Wall Pore Diameter on the Pressure Drop -

2015-09-01
2015-01-2010
Experimental and numerical studies were conducted on diesel particulate filters (DPFs) under different soot loading conditions and DPF configurations. Pressure drops across DPFs with various mean pore diameters loaded with soots having different mean particle diameters were measured by introducing exhaust gases from a 2.2 liter inline four-cylinder, TCI diesel engine designed for use in passenger cars. A mechanistic hypothesis was then proposed to explain the observed trends, accounting for the effects of the soot loading regime in the wall and the soot cake layer on the pressure drop. This hypothesis was used to guide the development and validation of a numerical model for predicting the pressure drop in the DPF. The relationship between the permeability and the porosity of the wall and soot cake layer was modeled under various soot loading conditions.
Technical Paper

Numerical Optimization of Parameters to Improve Thermal Efficiency of a Spark-Ignited Natural Gas Engine

2015-09-01
2015-01-1884
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.
Technical Paper

Computational Study to Improve Thermal Efficiency of Spark Ignition Engine

2015-03-10
2015-01-0011
The objective of this paper is to investigate the potential of lean burn combustion to improve the thermal efficiency of spark ignition engine. Experiments used a single cylinder gasoline spark ignition engine fueled with primary reference fuel of octane number 90, running at 4000 revolution per minute and at wide open throttle. Experiments were conducted at constant fueling rate and in order to lean the mixture, more air is introduced by boosted pressure from stoichiometric mixture to lean limit while maintaining the high output engine torque as possible. Experimental results show that the highest thermal efficiency is obtained at excess air ratio of 1.3 combined with absolute boosted pressure of 117 kPa. Three dimensional computational fluid dynamic simulation with detailed chemical reactions was conducted and compared with results obtained from experiments as based points.
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.
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.
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