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Synthetic fuels can significantly improve the combustion and emission characteristics of heavy-duty diesel engines toward decarbonizing heavy-duty propulsion systems. This work analyzes the effects of engine operating conditions and synthetic fuel properties on spray, combustion, and emissions (soot, NOx) using a supercharging single-cylinder engine experiment and KIVA-4 code combined with CHEMKIN-II and in-house phenomenological soot model. The blended fuel ratio is fixed at 80% diesel and 20% n-paraffin by volume (hereafter DP). Diesel, DP1 (diesel with n-pentane C5H12), DP2 (diesel with n-hexane C6H14), and DP3 (diesel with n-heptane C7H16) are used in engine-like-condition constant volume chamber (CVC) and engine experiments. Boosted engine experiments (1080 rpm, common-rail injection pressure 160 MPa, multi-pulse injection) are performed using the same DP fuel groups under various main injection timings, pulse-injection intervals, and EGR = 0-40%.

Alternative propulsion systems such as renewable fuels and electric powertrains are expensive; thus, efficient internal combustion engines (ICE) with hybrid powertrains still play significant roles in the transportation fleet in the coming decades. Modern engine technologies have been adopted to meet stringent emissions and fuel economy standards. As a result, engine control systems are becoming more complex. Furthermore, as ICE control parameters increase exponentially, engine calibration and design become bottlenecks in the development process. While a map-based feed-forward control method is a current de facto standard in combustion control, online closed-loop feedback control can improve engine performance and robustness. However, adding physical sensors to measure the various data for the online feedback control and calibration increase the vehicle cost.

To reproduce wall quenching phenomena using 3D-CFD, a wall quenching model was constructed based on the Peclet number. The model was further integrated with the flame propagation model. Combustion analysis showed that that a large amount of unburned hydrocarbons (UHCs) remained in the piston clevis and small gaps. Furthermore, the model was capable of predicting the increase in UHC emissions when there was a delay in the ignition time. The flame front cells were plotted on Peters' premixed turbulent combustion diagram to identify transitions in the combustion states. It was found that the flame surface transitioned from corrugated flamelets through thin reaction zones to wrinkled flamelets and further to laminar flamelets, which led to wall quenching. The turbulent Reynolds number (Re) decreased rapidly due to the increase in laminar flame speed and flame thickness and the decrease in turbulent intensity and turbulent scale.

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'.

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.

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.

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.

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.

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.

Three-way catalyst (TWC) converters are used to remove harmful substances (e.g., carbon monoxide (CO), nitrogen oxides (NOx), and hydrocarbons (HC)) emitted from gasoline engines. However, a large amount of emissions could be emitted before the TWC reaches its light-off temperature during a cold start. For hybrid electric vehicles (HEVs) powered by gasoline engines, the emission purification performance by TWC converters unfortunately deteriorates because of mode switching from engine to battery and vice versa, which can repeatedly generate cold start conditions for the TWCs. In this study, aiming to reduce emissions from series HEVs by early activation of TWCs, numerical simulations and experiments are carried out. An HEV is tested on a chassis dynamometer in the Worldwide Light-duty Test Cycle (WLTC) mode. The upstream and downstream gas conditions of the close-coupled catalyst converter are measured.

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.

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.

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.

Primary work is to investigate premixed laminar flame propagation in a constant volume chamber of iso-octane/air combustion. Experimental and numerical results are investigated by comparing flame front displacements under lean to rich conditions. As the laminar flame depends on equivalence ratio, temperature, and pressure conditions, it is a main property for chemical reaction mechanism validation. Firstly, one-dimensional laminar flame burning velocities are predicted in order to validate a reduced chemical reaction mechanism. A set of laminar burning velocities with pressure, temperature, and mixture equivalence ratio dependences are combined into a 3D-CFD calculation to compare the predicted flame front displacements with that of experiments. It is found that the reaction mechanism is well validated under the coupled 1D-3D combustion calculations. Next, lean experiments are operated in a SI engine by boosting intake pressure to maintain high efficiency without output power penalty.

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.

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.

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.

The objective of the present research is to analyze the effects of using oxygenated fuels (FAMEs) on diesel engine combustion and emission (NOx and soot). We studied methyl oleate (MO), which is an oxygenated fuel representative of major constituents of many types of biodiesels. Engine tests and numerical simulations were performed for 100% MO (MO100), 40% MO blended with JIS#2 diesel (MO40) and JIS#2 diesel (D100). The effects of MO on diesel combustion and emission characteristics were studied under engine operating conditions typically encountered in passenger car diesel engines, focusing on important parameters such as pilot injection, injection pressure and exhaust gas recirculation (EGR) rate. We used a diesel engine complying with the EURO4 emissions regulation, having a displacement of 2.2 L for passenger car applications. In engine tests comparing MO with diesel fuel, no effect on engine combustion pressure was observed for all conditions tested.

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.