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In this work a detailed model to simulate the transient behavior of catalytic converters is presented. The model is able to predict the unsteady and reacting flows in the exhaust ducts, by solving the system of conservation equations of mass, momentum, energy and transport of reacting chemical species. The en-gine and the intake system have not been included in the simulation, imposing the measured values of mass flow, gas temperature and chemical composition as a boundary condition at the inlet of the exhaust system. A detailed analysis of the diffusion stage triggering is proposed along with simplifications of the physics, finalized to the reduction of the calculation time. Submodels for water condensation and its following evaporation on the monolith surface have been taken into account as well as oxygen storage promoted by ceria oxides.

Modeling plume interaction and collapse for direct-injection gasoline sprays is important because of its impact on fuel-air mixing and engine performance. Nevertheless, the aerodynamic interaction between plumes and the complicated two-phase coupling of the evaporating spray has shown to be notoriously difficult to predict. With the availability of high-speed (100 kHz) Particle Image Velocimetry (PIV) experimental data, we compare velocity field predictions between plumes to observe the full temporal evolution leading up to plume merging and complete spray collapse. The target “Spray G” operating conditions of the Engine Combustion Network (ECN) is the focus of the work, including parametric variations in ambient gas temperature. We apply both LES and RANS spray models in different CFD platforms, outlining features of the spray that are most critical to model in order to predict the correct aerodynamics and fuel-air mixing.

A correct prediction of the initial stages of the combustion process in SI engines is of great importance to understand how local flow conditions, fuel properties, mixture stratification and ignition affect the in-cylinder pressure development and pollutant formation. However, flame kernel growth is governed by many interacting processes including energy transfer from the electrical circuit to the gas phase, interaction between the plasma channel and the flow field, transition between different combustion regimes and gas expansion at very high temperatures. In this work, the authors intend to present a comprehensive, multi-dimensional model that can be used to predict the initial combustion stages in SI engines. In particular, the spark channel is represented by a set of Lagrangian particles where each one of them acts as a single flame kernel.

The paper illustrates and validates a novel predictive combustion model for the estimation of performances and pollutant production in CI engines. The numerical methodology was developed by the authors for near real-time applications, while aiming at an accurate description of the air mixing process by means of a multi-zone approach of the air-fuel mass. Charge stratification is estimated via a 2D representation of the fuel spray distribution that is numerically derived by an axial one-dimensional control-volume description of the direct injection. The radial coordinate of each control volume is reconstructed a posteriori by means of a local distribution function. Fuel mass clustered in each zone is further split in ‘liquid’, ‘unburnt’ and ‘burnt’ sub-zones, given the local properties of the fuel spray control volumes with respect to space-time location of modelled ignition delay, liquid length, and flame lift-off.

Nowadays a great attention is paid to the level and quality of noise radiated from the tailpipe end of intake and exhaust systems, to control the gas dynamic noise emitted by the engine as well as the characteristics of the cabin interior sound. The muffler geometry can be optimized consequently, to attenuate or remark certain spectral components of the engine noise, according to the result expected. Evidently the design of complex silencing systems is a time-consuming operation, which must be carried out by means of concurrent experimental measurements and numerical simulations. In particular, 1D and multiD linear/non-linear simulation codes can be applied to predict the silencer behavior in the time and frequency domain. This paper describes the development of a 1D-multiD integrated approach for the simulation of complex muffler configurations such as reverse chambers with inlet and outlet pipe extensions and perforated silencers with the addition of sound absorbing material.

Striving for sustainable transportation solutions, hydrogen is often identified as a promising energy carrier and internal combustion engines are seen as a cost effective consumer of hydrogen to facilitate the development of a large-scale hydrogen infrastructure. Driven by efficiency and emissions targets defined by the U.S. Department of Energy, a research team at Argonne National Laboratory has worked on optimizing a spark-ignited direct injection engine for hydrogen. Using direct injection improves volumetric efficiency and provides the opportunity to properly stratify the fuel-air mixture in-cylinder. Collaborative 3D-CFD and experimental efforts have focused on optimizing the mixture stratification and have demonstrated the potential for high engine efficiency with low NOx emissions. Performance of the hydrogen engine is evaluated in this paper over a speed range from 1000 to 3000 RPM and a load range from 1.7 to 14.3 bar BMEP.

The development of thermally durable zeolite NH3/Urea-SCR formulations coupled with that of high porosity filters substrates has opened the way to integrate PM and NOx control into a single device, namely an SCR-coated Diesel Particulate Filter (SCRF). A few experimental works are already present in the literature regarding SCRF systems, mainly addressing the DeNOx performances of the system (in both presence and absence of soot) under both steady state and transient conditions. The purpose of the present work is to perform a simulation study focused on phenomena which are expected to play key roles in SCRF systems, such as coupling of reaction and diffusion phenomena, soot effect on DeNOx activity, SCR coating effect on soot regeneration and filtration efficiency and competition between soot oxidation and DeNOx processes involving NO2.

In this paper, computation fluid dynamics (CFD) simulations are employed to describe the effect of flow parameters on the formation of soot and NOx in a heavy duty engine under low load and high load. The complexity of diesel combustion, specially when soot, NOx and other emissions are of interest, requires using a detailed chemical mechanism to have a correct estimation of temperature and species distribution. In this work, Multiple Representative Interactive Flamelets (MRIF) method is employed to describe the chemical reactions, ignition, flame propagation and emissions in the engine. A phenomenological model for soot formation, including soot nucleation, coagulation and oxidation with O2 and OH is incorporated into the flamelet combustion model. Different strategies for modelling NOx are chosen to take into account the longer time scale for NOx formation. The numerical results are compared with experimental data to show the validity of the model for the cases under study.

Use of ethanol as gasoline replacement can contribute to the reduction of nitrogen oxide (NOx) and carbon oxide (CO) emissions. Depending on ethanol production, significant reduction of greenhouse-gas emissions is possible. Concentration of certain species, such as unburned ethanol and acetaldehyde in the engine-out emissions are known to rise when ratio of ethanol to gasoline increases in the fuel. This research explores on hydrous ethanol fueled port-fuel injection (PFI) spark ignition (SI) engine emissions that contribute to photochemical formation of ozone, or so-called ozone precursors and the precursor of peroxyacetyl nitrates (PANs). The results are compared to engine operation on gasoline. Concentration obtained by FTIR gas analyzer, and mass-specific emissions of formaldehyde (HCHO), acetaldehyde (MeCHO) and methane (CH4) under two engine speed, four load and two spark advance settings are analyzed and presented.

The flow field resulting from injecting a gas jet into a crossflow confined in a narrow square duct has been studied under steady regime using schlieren imaging and laser Doppler velocimetry (LDV). This transparent duct is intended to simulate the intake port of an internal combustion engine fueled by gaseous mixture, and the jet is issued from a round nozzle. The schlieren images show that the relative small size of the duct would confine the development of the transverse jet, and the interaction among jet and sidewalls strongly influences the mixing process between jet and crossflow. The mean velocity and turbulence fields have been studied in detail through LDV measurements, at both center plane and several cross sections. The well-known flow feature formed by a counter rotating vortex pair (CVP) has been observed, which starts to appear at the jet exit section and persists far downstream contributing to enhancing mixing process.

With an intention to improve the performance of reciprocating engines used for distributed generation US-Dept. of Energy has launched ARES program. Under this program, the performance targets for these natural gas-fuelled stationary engines are ≻ 50% efficiency and NOx emissions ≺ 0.1 g/bhp-hr by 2013. This paper presents two technologies developed under this program. Lean-burn operation is very popular with engine manufacturers as it offers simultaneous low-NOx emissions and high engine efficiencies, while not requiring the use of any aftertreatment devices. Though engines operating on lean-burn operation are capable of better performance, they are currently limited by the inability to sustain reliable ignition under lean conditions. Addressing such an issue, research has evaluated the use of laser ignition as an alternative to the conventional Capacitance Discharge Ignition (CDI).

The current paper describes a methodology for combustion bowl assessment for diesel engines. The methodology is based on the application of Computational Fluid Dynamics (CFD) following a Design of Experiments (DoE) procedure. In this work the 3D CFD simulation was performed by the commercial CFD code AVL-FIRE for different combustion bowls from intake valve closing (IVC) to exhaust valve opening (EVO). The initial conditions (at IVC) and boundary conditions were obtained from 1D simulation. Since the work was concentrated on the spray injection, mixing, combustion as well as bowl aerodynamics only a sector mesh was employed for the calculations. A DoE procedure was also used for this simulation work in order to minimize the number of simulation runs and at the same time maintaining the accuracy required assessing the influences of different bowl geometry, spray and intake air motion parameters.

This study presents experimental and numerical examination of directly injected (DI) propane and iso-octane, surrogates for liquified petroleum gas (LPG) and gasoline, respectively, at various engine like conditions with the overall objective to establish the baseline with regards to fuel delivery required for future high efficiency DI-LPG fueled heavy-duty engines. Sprays for both iso-octane and propane were characterized and the results from the optical diagnostic techniques including high-speed Schlieren and planar Mie scattering imaging were applied to differentiate the liquid-phase regions and the bulk spray phenomenon from single plume behaviors. The experimental results, coupled with high-fidelity internal nozzle-flow simulations were then used to define best practices in CFD Lagrangian spray models.

In the last years, as a response to the more and more restrictive emission legislation, new devices (SRC, DOC, NOx-trap, DPF) have been progressively introduced as standard components of modern after-treatment system for Diesel engines. In addition, the adoption of electrical heating is nowadays regarded with interest as an effective solution to promote the light-off of the catalyst at low temperature, especially at the start-up of the engine and during the low load operation of the engine typical of the urban drive. In this work, a state-of-the-art 48 V electrical heated catalyst is considered, in order to investigate its effect in increasing the abatement efficiency of a standard DOC. The electrical heating device considered is based on a metallic support, arranged in a spiral layout, and it is heated by the Joule effect due to the passage of the electrical current.

The abatement of carbon dioxide and pollutant emissions on motorbike spark-ignition (SI) engines is a challenging task, considering the small size, the low cost and the high power-to-weight ratio required by the market for such powertrain. In this context, the passive pre-chamber (PPC) technology is an attractive solution. The combustion duration can be reduced by igniting the air-fuel mixture inside a small volume connected to the cylinder, unfolding the way to high engine efficiencies without penalization of the peak performance. Moreover, no injectors are needed inside the PPC, guaranteeing a cheap and fast retrofitting of the existing fleet. In this work, a 3D computational fluid dynamics (CFD) investigation is carried out over an experimental configuration of motorbike SI engine, operated at fixed operating conditions with both traditional and PPC configurations.

NH₃/urea SCR is a very effective and widely used technology for the abatement of NOx from diesel exhaust. The SCR mechanism is well understood and the catalyst behavior can be predicted by mathematical models - as long as operation above the temperature limit for AdBlue® injection is considered. The behavior below this level is less understood. During the first seconds up to minutes after cold start, complete NOx abatement can be observed over an SCR catalyst in test bench experiments, together with a significant increase in temperature after the converter (ca. 100 K). In this work these effects have been investigated over a monolith Cu-zeolite SCR catalyst. Concentration step experiments varying NO, NO₂ and H₂O have been carried out in lab scale, starting from room temperature. Further, the interaction of C₃H₆ and CO with NOx over the SCR has been investigated.

"The Single Fuel Forward Policy" legislation enacted in the United States mandates that deployed U.S. military ground vehicles must be operable with aviation fuel (JP-8). This substitution of JP-8 for diesel raises concerns about the compatibility of this fuel with existing reciprocating piston engine systems. This study investigates the combustion, emissions, and performance characteristics of blends of JP-8 and Ultra Low Sulfur Diesel (ULSD) fuels with similar cetane numbers (CN), 48 (JP-8) and 47(ULSD), respectively, in a direct injection (DI) compression ignition engine over the load range of 3-8 bar imep at 1400 rpm. The results showed that JP-8 blends and ULSD had ignition delays ranging from approximately 1.0-1.4 ms and an average combustion duration time in the range of 47-65 CAD. Cylinder maximum heat flux values were found to be between 2.0 and 4.4 MW/m₂, with radiation flux increasing much faster than convection flux while increasing the imep.

Because of their high efficiency and low emissions, fuel-cell vehicles are undergoing extensive research and development. When considering the introduction of advanced vehicles, a complete well-to-wheel evaluation must be performed to determine the potential impact of a technology on carbon dioxide and Green House Gases (GHGs) emissions. Several modeling tools developed by Argonne National Laboratory (ANL) were used to evaluate the impact of advanced powertrain configurations. The Powertrain System Analysis Toolkit (PSAT) transient vehicle simulation software was used with a variety of fuel cell system models derived from the General Computational Toolkit (GCtool) for pump-to-wheel (PTW) analysis, and GREET (Green house gases, Regulated Emissions and Energy use in Transportation) was used for well-to-pump (WTP) analysis. This paper compares advanced propulsion technologies on a well-to-wheel energy basis by using current technology for conventional, hybrid and fuel cell technologies.

SunDiesel fuel is a biomass-to-liquid (BTL) fuel that may have certain attributes different from conventional diesel. In this investigation, 100% SunDiesel was tested both in a Mercedes A-Class (MY1999) diesel vehicle and a single-cylinder heavy-duty compression-ignition direct-injection engine. The SunDiesel's emissions and fuel consumption were significantly better than conventional diesel fuel, especially in nitrogen oxides (NOx) reduction. In the vehicle U.S. Environmental Protection Agency (EPA), Federal Test Procedure 75 (FTP-75), and New European Drive Cycle (NEDC) tests, the carbon dioxide emissions on a mile basis (g/mile) from SunDiesel fuel were almost 10% lower than the conventional diesel fuel. Similarly, in the single-cylinder engine steady-state tests, the reductions in brake specific NOx, carbon monoxide (CO), and particulate matter (PM) are equally significant. Combustion analysis, though not conclusive, indicates that there are differences deserving further research.

The Computational Chemistry Consortium (C3) is dedicated to leading the advancement of combustion and emissions modeling. The C3 cluster combines the expertise of different groups involved in combustion research aiming to refine existing chemistry models and to develop more efficient tools for the generation of surrogate and multi-fuel mechanisms, and suitable mechanisms for CFD applications. In addition to the development of more accurate kinetic models for different components of interest in real fuel surrogates and for pollutants formation (NOx, PAH, soot), the core activity of C3 is to develop a tool capable of merging high-fidelity kinetics from different partners, resulting in a high-fidelity model for a specific application. A core mechanism forms the basis of a gasoline surrogate model containing larger components including n-heptane, iso-octane, n-dodecane, toluene and other larger hydrocarbons.