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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'.

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.

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.

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 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.

Experimental and numerical studies are conducted on the formation of soot and Polycyclic Aromatic Hydrocarbons (PAHs), regarded as precursors of soot, during the combustion of fuel-rich homogeneous n-heptane mixtures. In-cylinder gases are sampled directly through a high-speed solenoid valve in engine tests, to be analyzed by GC/MS for qualifying PAHs. Smoke concentration is also measured. A numerical study is carried out by using a zero-dimensional model combined with detailed chemical kinetics. The experiments and computations show that PAHs can be predicted qualitatively by means of the present kinetic model.

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.

N₂O is known to have a significantly high global warming potential. We measured N₂O emissions in engine-bench tests by changing the NO/NH₃ ratio and exhaust gas temperature at the oxidation catalyst inlet in a heavy-duty diesel engine equipped with a urea SCR (selective catalytic reduction) system. The results showed that the peak N₂O production ratio occurred at an exhaust gas temperature of around 200°C and the maximum value was 84%. Moreover, the N₂O production ratio increased with increasing NO/NH₃. Thus, we concluded that N₂O is produced via the NO branching reaction. Based on our results, two methods were proposed to decrease N₂O formation. At low temperatures ~200°C, NO should be reduced by controlling diesel combustion to lower the contribution of NO to N₂O production. This is essential because the SCR system cannot reduce NOx at low temperatures.

For better understanding of soot formation and oxidation processes in diesel spray flame, the nanostructure of primary soot particles directly sampled in a diesel spray flame was investigated via High-Resolution Transmission Electron Microscopy (HRTEM). A single-shot diesel spray flame was achieved in a constant volume combustion vessel under diesel-like conditions (Ta=1000K, Pa=2.7 MPa) and a micro-grid for HRTEM observation was directly exposed to the spray flame to thermophoretically sample soot particles onto the grid surface. A preliminary nanostructure investigation was conducted for x500k magnification HRTEM images of soot particles directly sampled in diesel spray flames of Fischer-Tropsch Diesel (FTD) fuel seeded with naphthalene as a representative aromatic substance. A MATLAB code for HRTEM image processing and analysis of lattice fringes within primary soot particles was developed and used to characterize the length, tortuosity and separation of lattice fringes.