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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.

This paper focuses on an assessment of predictive combustion model using a 0D/1D simulation tool under high load, different excess air ratio λ , and different combustion stabilities (based on coefficient of variation of indicated mean effective pressure COVimep). To consider that, crank angle resolved data of experimental pressure of 500 cycles are recorded under engine speed 1000 RPM and 2000 RPM, wide-open throttle, and λ=1.0, 1.42, 1.7, and 2.0. Firstly, model calibration is conducted using 18 cases at 2000 RPM using 500 cycle-averaged in-cylinder pressure to find optimized model constants. Then, the model constants are unchanged for other cases. Next, different cycle-averaged pressure data are used as inputs in the simulation based on the COVimep for studying sensitivity of the turbulent model constants. The simulation is conducted using 1D simulation software GT-Power.

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.

A mixed timescale subgrid model of a large eddy simulation was used to simulate the turbulence regime in diesel engine combustion. The combustion model used the direct integration approach with a diesel oil surrogate mechanism (developed at Chalmers University of Technology and consisting of 70 species and 309 reactions). Additional reactions for the generation and consumption of OH*, CO2*, and CH* species were added from recent kinetic studies. Collisional quenching and spontaneous emission resulted in de-excitation of the excited state radical. A phenomenological soot formation model (developed at Waseda University) was combined with the LES code. The following important steps were considered in the soot model: particle inception where naphthalene grows irreversibly to form soot, surface growth with the addition of C2H2, surface oxidation (induced by OH radicals and O2 attack), and particle coagulation.

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.

The objective of this article is to clarify the effect of thermal and equivalence ratio stratification on Homogeneous Charge Compression Ignition (HCCI) combustion under several conditions with three-dimensional computational fluid dynamics (3D CFD). Reynolds Averaged Navier-Stokes (RANS) simulation was used to calculate in-cylinder fluid dynamics. The 3D CFD simulation is also coupled with detailed chemical reaction to calculate HCCI combustion. First, the study with a simple engine model reveals that thermal stratification is more effective for prolonged combustion duration, which is a key factor for a high load limit of HCCI combustion, than equivalence ratio stratification. Thermal stratification has two-stage combustion: the combustion propagates from hot region slowly at first and then ignites in the entire in-cylinder region. Owing to this phenomenon, thermal stratification is more effective to mitigate HCCI combustion.

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.

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 reduced chemical reaction scheme which can take the effect of major fuel components on auto ignition timing into account has been developed. This reaction scheme was based on the reduced reaction mechanism for the primary reference fuels (PRF) proposed by Tsurushima [1] with 33 species and 38 reactions. Some pre-exponential factors were modified by using Particle Swarm Optimization to match the ignition delay time versus reciprocal temperature which was calculated by the detailed scheme with 2,301 species and 11,116 elementary chemical reactions. The result using the present reaction scheme shows good agreements with that using the detailed scheme for the effects of EGR, fuel components, and radical species on the ignition timing under homogeneous charge compression ignition combustion (HCCI) conditions.

A three-dimensional computational fluid dynamics (3D-CFD) code was combined with a detailed combustion chamber heat transfer model. The established model allowed not only prediction of instantaneous combustion chamber wall surface temperature distributions in practical calculation time but also investigation of the characteristics of combustion, emissions and heat losses affected by the wall temperature distributions. Although zero-dimensional combustion analysis can consider temporal changes in the heat transfer coefficient and in-cylinder gas temperature, it cannot take into account the effect of interactions between spatially distributed charge and wall temperatures. In contrast, 3D-CFD analysis can consider temporal and spatial changes in both parameters. However, in most zero-/multi- dimensional combustion analyses, wall temperatures are assumed to be temporally constant and spatially homogeneous.

This paper aims to validate chemical kinetic mechanisms of surrogate gasoline three components fuel by calculating one-dimensional laminar burning velocity of iso-octane/air mixture. Next, the application of level-set method on premixed combustion without consideration the effect of turbulence eddies on flame front is also studied in three-dimensional computational fluid dynamic (3D-CFD) simulation. In the 3D CFD simulation, there is an option to calculate laminar burning velocity by using empirical correlations, however it is applicable only for particular initial pressure and temperature in spark ignition engine cases. One-dimensional burning velocities from lean to rich of iso-octane/air mixture are calculated by using CHEMKIN-PRO with detailed chemistry and transport phenomena as a function of different equivalence ratios, different unburnt temperature and pressure ranges.

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.

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.

Model based control design is an important method for optimizing engine operating conditions so as to simultaneously improve engines' thermal efficiency and emission profiles. Modeling of intake system that includes an intake throttle valve, an EGR valve and a variable geometry turbocharger was constructed based on conservation laws combined with maps. Calculated results were examined the predictive accuracy of fresh charge mass flow, EGR rate and boost pressure.

This paper describes the development of a High Speed Calculation Diesel Combustion Model that predicts combustion-related behaviors of diesel engines from passenger cars. Its output is dependent on the engine's operating parameters and on input from on-board pressure and temperature sensors. The model was found to be capable of predicting the engine's in-cylinder pressure, rate of heat release, and NOx emissions with a high degree of accuracy under a wide range of operating conditions at a reasonable computational cost. The construction of this model represents an important preliminary step towards the development of an integrated Model Based Control system for controlling combustion in diesel engines used in passenger cars.