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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.

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.

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.

The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

In order to better understand in-flame diesel soot oxidation processes, soot particles at the oxidation-dominant periphery of diesel spray flame were sampled by a newly developed “suck” type soot sampler employing a high-speed solenoid valve and their morphology and nanostructure were observed via high-resolution transmission electron microscopy (HR-TEM). A single-shot diesel spray flame for the soot sampling experiment was achieved in a constant-volume vessel under a diesel-like condition. The sampler instantaneously sucks out a small portion of soot laden gases from the flame. A TEM grid holds inside the flow passage close to its entrance is immediately exposed to the gas flow induced by the suction at the upstream of the solenoid valve, so that the quick thermophoretic soot deposition onto the grid surface can effectively freeze morphology variation of soot particles during the sampling processes.

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).

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.

The enhancement of vortex development, fuel-air mixing and heat release in diesel spray flame by inversed-delta injection rate shaping, having been predicted via LES simulation with detailed chemical kinetics, is experimentally confirmed for the first time. Newly developed 3-injector TAIZAC (TAndem Injector Zapping ACtivation) injector realizing aggressive inversed-delta injection rate shaping was used for single-shot combustion experiments in a constant volume combustion vessel. Simultaneous high-speed (120,000fps) and high-resolution (1,280 x 704 pixels) laser schlieren and UV OH* chemiluminescence imaging combined with subsequent Flame Imaging Velocimetry (FIV) analysis was employed to elucidate the correlation between vortex development and enhanced heat release.

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.

For a better understanding of soot formation and oxidation processes in conventional diesel and biodiesel spray flames, the morphology, microstructure and sizes of soot particles directly sampled in spray flames fuelled with US#2 diesel and soy-methyl ester were investigated using transmission electron microscopy (TEM). The soot samples were taken at 50mm from the injector nozzle, which corresponds to the peak soot location in the spray flames. The spray flames were generated in a constant-volume combustion chamber under a diesel-like high pressure and high temperature condition (6.7MPa, 1000K). Direct sampling permits a more direct assessment of soot as it is formed and oxidized in the flame, as opposed to exhaust PM measurements. Density of sampled soot particles, diameter of primary particles, size (gyration radius) and compactness (fractal dimension) of soot aggregates were analyzed and compared. No analysis of the soot micro-structure was made.

In-flame soot sampling based on the thermophoresis of particles and subsequent transmission electron microscope (TEM) imaging has been conducted in a diesel engine to study size, shape and structure of soot particles within the reacting diesel jet. A direct TEM sampling is pursued, as opposed to exhaust sampling, to gain fundamental insight about the structure of soot during key formation and oxidation stages. The size and shape of soot particles aggregate structure with stretched chains of spherical-like primary particles is currently an unknown for engine soot modelling approaches. However, the in-flame sampling of soot particles in the engine poses significant challenges in order to extract meaningful data. In this paper, the engine modification to address the challenges of high-pressure sealing and avoiding interference with moving valves and piston are discussed in detail.

For better understanding of soot formation and oxidation processes in a diesel spray flame, two kinds of planar soot imaging techniques, Laser-Induced Incandescence (LII) and Laser Scattering (LS) techniques, were applied simultaneously to a diesel spray flame in a constant-volume combustion vessel under a diesel-like condition (2.5MPa, 940K). An analysis of LII and LS images yielded 2-dimensional distribution images of concentration, size and number density of soot particles in the spray flame, based on an assumption that LII and LS signals are proportional to the soot particle size to the power of 3 and 6, respectively. In order to obtain clearer variation trend in the soot concentration, size and number density distribution in significantly fluctuating single-shot diesel spray flames, spontaneous and time-integrated ensemble averaging of the laser-measured images were employed.

In order to examine the effect of aromatic addition to Fischer-Tropsch Diesel (FTD) fuel on formation and oxidation processes of soot particles in diesel spray flame, small amount of naphthalene (0 to 65,000 ppm) was added to the FTD fuel and variation of soot morphology and nanostructure of primary soot particles directly sampled in a diesel spray flame were investigated via High-Resolution Transmission Electron Microscopy (HRTEM). A single-shot diesel spray flame was achieved in a constant volume combustion chamber under a diesel-like condition (Ta=1000K, Pa=2.7MPa) and a grid for HRTEM observation was directly exposed to the spray flame to thermophoretically sample soot particles onto the grid surface. The primary particle diameter, aggregate gyration radius, lattice fringe length, lattice fringe tortuosity and lattice fringe separation of soot particles sampled at different locations (from 60 to 90mm from nozzle tip) in the spray flame were analyzed.

Difference of engine combustion characteristics, species and amount of exhaust gas and PM (particulate matter consisted of SOF and Soot and Ash), and especially PM oxidation characteristics were studied when diesel fuel or bio-fuel, here PME (palm oil methyl ester) as an example, was used as a fuel. The fueling rate was adjusted to obtain the same torque for both fuels and engine was operated under several range of EGR (Exhaust Gas Recirculation) ratio. Under such conditions, PME showed shorter ignition delay time and lower R.H.R (rate of heat release) under 0-40% EGR ratio. With respect to engine exhaust gas species, CO, NO, THC and HCHO, CH3CHO concentration was almost the same when the EGR ratio is higher than 35% (Intake-Air/Fuel: A/F=20). However, PME also showed lower exhaust gas emission when the EGR ratio is higher than 30%.

A urea SCR system was combined with a DPF system to reduce NOx and PM in a four liters turbocharged with intercooler diesel engine. Significant reduction in NOx was observed at low exhaust gas temperatures by increasing NH3 adsorption quantity in the SCR catalyst. Control logic of the NH3 adsorption quantity for transient operation was developed based on the NH3 adsorption characteristics on the SCR catalyst. It has been shown that NOx can be reduced by 75% at the average SCR inlet gas temperature of 158 deg.C by adopting the NH3 adsorption quantity control in the JE05 Mode.

Experimental and numerical studies on PAHs (Polycyclic Aromatic Hydrocarbons) and PM (Particulate Matters) formed in the fuel rich mixture have been conducted. In the experiment, neat n-heptane and n-heptane with benzene 25 % by weight were chosen as test fuels. In-cylinder gases produced by the fuel-rich HCCI (Homogeneous Charge Compression Ignition) combustion were directly sampled and analyzed by the use of GC/MS (Gas Chromatograph/Mass Spectro- metry), and PM emission was also measured by PM sampling system to reveal characteristics of PM formation. Numerical study has been also carried out using a zero dimensional combustion model combined with detailed chemistry. Furthermore, simple surface growth of soot particles was integrated into a detailed chemical kinetic model, and validated with the experimental data.

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.

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.