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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

Experimental and Simulation Analysis of Spray and Combustion Characteristics in a Swirl-Chamber Diesel Engine

2022-08-30
2022-01-1049
A swirl-chamber diesel engine has an indirect injection system in which fuel is injected into a pre-chamber called the swirl-chamber that is separated from the main chamber. Indirect fuel injection systems can be directly mechanically controlled by the camshaft, which is cheaper than electronic control. For these reasons, they are used in diverse industrial applications and automobiles. However, optimization of the swirl-chamber shape and performance tests have been mainly experimental, and there has been insufficient verification of the accuracy of simulations. Thus, we have attempted to verify simulations using a rapid compression and expansion machine that can reproduce the combustion in one engine cycle, with a chamber like a swirl chamber in the cylinder head to visualize the behavior of evaporative sprays and the combustion process. In this study, the authors focused on the wall impingement of the fuel spray and took photos of its liquid phase and ignition.
Technical Paper

A Study on Optimizing SHEV Components Specifications and Control Parameter Values for the Reduction of Fuel Consumption by Using a Genetic Algorithm

2022-03-29
2022-01-0655
For a series hybrid electric vehicle (SHEV), the electric motor is responsible for driving the wheels, while the engine drives the only generator to provide electricity. SHEVs set a control strategy to make the engine run near the fixed operating point with high thermal efficiency, thereby effectively reducing fuel consumption. The powertrain system of HEV is more complex than that of a conventional drive system using only an internal combustion engine, and it is time-consuming to obtain the optimal components specification values and control parameters. Therefore, automatic optimization methods are required nowadays. We used Genetic Algorithm (GA) as the optimization method and optimize powertrain specifications and control parameter values to reduce fuel consumption. The results show that it is an effective optimization method.
Technical Paper

Studies on Spray and Combustion Characteristics of Throttle Type Nozzle Used in a Swirl-Chamber Diesel Engine

2022-01-09
2022-32-0068
Among industrial engines, vortex chamber diesel engines are mainly used in small engines with output of less than 19 kW, and they employ an indirect injection system in which fuel is injected into a sub-chamber called a vortex chamber. The throttle-type nozzle used in swirl-chamber diesel engines is expected to change its spraying behavior depending on ambient conditions because the pressure fluctuations in the nozzle cause the needle valve to lift, and the injection amount is controlled by the amount of lift of the needle valve. In addition, the dimensions of the vortex chamber of a vortex chamber diesel engine are smaller than the spray development distance, and wall impingement of the spray is expected. In this study, spraying and combustion experiments were conducted using a constant volume chamber to understand the behavior of the spray from a throttle-type nozzle.
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).
Technical Paper

Prediction of Soot Mass and Particle Size in a High-boosted Diesel Engine using Large Eddy Simulation

2021-09-21
2021-01-1168
Soot mass production was investigated in high-boosted diesel engine tests by changing various operating parameters. A mixed timescale subgrid model of large eddy simulation (LES) was applied to simulate the detailed mixture formation, combustion and soot formation influenced by turbulence in diesel engine combustion. The combustion model used a direct integration approach with an explicit ordinary differential equation (ODE) solver and additional parallelization by OpenMP. Soot mass production within a computation cell was determined from a phenomenological soot formation model developed by WASEDA University. The model was combined with the LES code and included the following important steps: particle inception, in which naphthalene was assumed to grow irreversibly to form soot; surface growth with the addition of C2H2; surface oxidation due to OH radicals and O2 attack; particle coagulation; and particle agglomeration.
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.
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

Avoidance Algorithm Development to Control Unrealistic Operating Conditions of Diesel Engine Systems under Transient Conditions

2021-09-05
2021-24-0025
Emission regulations are becoming tighter, and Real Driving Emissions (RDE) is proposed as a testing cycle for evaluating modern engine emissions under a wide operation range. For this reason, engine manufacturers have been developing a method to effectively assess engine performances and emissions under a wide range of transient conditions. Transient engine performances can be evaluated efficiently by applying time-series data created by chirp signals. However, when the time-series data produced by the chirp signal are used directly, the engine hardware may damage, and emission performances deteriorate drastically. It is therefore essential to develop a method to avoid these undesirable operating conditions. This work aims to develop an algorithm to avoid such unrealistic operation conditions for engine performance evaluation. A virtual diesel engine (VDE) model is developed based on a four-cylinder engine using GT-POWER software.
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

Relationship between Turbulent Burning Velocity and Karlovitz Number under EGR Conditions

2020-09-15
2020-01-2051
The purpose of this paper is to find a universal law to predict a turbulent burning velocity under various operating conditions and engine specifications. This paper presents the relationship between turbulent burning velocity and Karlovitz number. 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 speed and EGR rates, and various engine specifications, i.e. different types of intake ports were tested. Karlovitz number was calculated with Three Dimensional Computational Fluid Dynamics (3D-CFD) and detailed chemical reaction calculation, which condition was based on the experiment. The experimental and calculation results show that turbulent burning velocity is predicted by using Karlovitz number in the engine conditions, which varies depending on engine speed, EGR rates and the designs of intake ports.
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

Effects of Using an Electrically Heated Catalyst on the State of Charge of the Battery Pack for Series Hybrid Electric Vehicles at Cold Start

2020-04-14
2020-01-0444
Battery models are being developed as a component of the powertrain systems of hybrid electric vehicles (HEVs) to predict the state of charge (SOC) accurately. Electrically heated catalysts (EHCs) can be employed in the powertrains of HEVs to reach the catalyst light off temperature in advance. However, EHCs draw power from the battery pack and hence sufficient energy needs to be stored to power auxiliary components. In series HEVs, the engine is primarily used to charge the battery pack. Therefore, it is important to develop a control strategy that triggers engine start/stop conditions and reduces the frequency of engine operation to minimize the equivalent fuel consumption. In this study, a battery pack model was constructed in MATLAB-Simulink to investigate the SOC variation of a high-power lithium ion battery during extreme engine cold start conditions (-7°C) with/without application of an EHC.
Technical Paper

Numerical Studies on Temporal and Spatial Distribution of Equivalence Ratio in Diesel Combustion Using Large Eddy Simulation

2020-01-24
2019-32-0599
To identify ways of achieving good mixture formation and heat release in diesel spray combustion, we have performed Large Eddy Simulation (LES) using a detailed chemical reaction mechanism to study the temporal and spatial distribution of the local equivalence ratios and heat release rate. Here we characterize the effect of the fuel injection rate profile on these processes in the combustion chamber of a diesel engine. Two injection rate profiles are considered: a standard (STD) profile, which is a typical modern common rail injection profile, and the inverse delta (IVD) profile, which has the potential to suppress rich mixture formation in the spray tip region. Experimental data indicate that the formation of such mixtures may extend the duration of the late combustion period and thus reduce thermal efficiency.
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

Modeling Three-Way Catalyst Converters During Cold Starts And Potential Improvements

2019-12-19
2019-01-2326
Three-way catalyst (TWC) converters are often used to purify toxic substances contained in exhaust emissions from gasoline engines. However, a large amount of CO, NOx and THC may be emitted before the TWC reaches its light-off temperature during a cold start. In this work, a numerical model was developed for studying the purification performance of a close-coupled TWC converter during the cold start period. The TWC model was built using axisuite, commercial software by Exothermia S.A. Model gas experiments were designed for calibrating the chemical reaction scheme and corresponding reaction rate parameters in the TWC model. The TWC model was able to simulate the purification performance of CO, NOx and THC under both lean and rich air-fuel equivalence ratios (λ) for different conditions. The light-off temperature and oxygen storage capacity (OSC) behavior were also successfully validated in the model. Vehicle tests were conducted on a chassis dynamometer to verify the TWC model.
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.
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