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Ammonia/urea-SCR is a mature technology, applied worldwide for the control of NOx emissions in combustion exhausts from thermal power plants, cogeneration units, incinerators and stationary diesel engines and more recently also from mobile sources. However a greater DeNOx activity at low temperatures is desired in order to meet more and more restrictive legislations. In this paper we report transient and steady state data collected over commercial Fe-ZSM-5 and V₂O₅-WO₃/TiO₂ catalysts showing high NOx reduction efficiencies in the 200 - 350°C T-range when NO and ammonia react with nitrates, e.g., in the form of an aqueous solution of ammonium nitrate. Under such conditions a new reaction occurs, the so-called "Enhanced SCR" reaction, 2 NH₃ + 2 NO + NH₄NO₃ → 3 N₂ + 5 H₂O.

Although the application of cylinder pressure sensors to gain insight into the combustion process is not a novel topic itself, the recent availability of inexpensive in-cylinder pressure sensors has again prompted an upcoming interest for the utilization of the cylinder pressure signal within engine control and monitoring. Besides the use of the in-cylinder pressure signal for combustion analysis and control the information can also be used to determine related quantities in the exhaust or intake manifold. Within this work two different methods to estimate the pressure inside the exhaust manifold are proposed and compared. In contrary to first principle based approaches, which may require time extensive parameterization, alternative data driven approaches were pursued. In the first method a Principle Component Analysis (PCA) is applied to extract the cylinder pressure information and combined with a polynomial model approach.

Nowadays, detailed kinetics is necessary for a proper estimation of both flame structure and pollutant formation in compression ignition engines. However, large mechanisms and the need to include turbulence/chemistry interaction introduce significant computational overheads. For this reason, tabulated kinetics is employed as a possible solution to reduce the CPU time even if table discretization is generally limited by memory occupation. In this work the authors applied tabulated homogeneous reactors (HR) in combination with different turbulent-chemistry interaction approaches to model non-premixed turbulent combustion. The proposed methodologies represent good compromises between accuracy, required memory and computational time. The experimental validation was carried out by considering both constant-volume vessel and Diesel engine experiments.

A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty compression-ignition engine with a gasoline-like fuel that has an anti-knock index (AKI) of 58. The primary goal was to design an optimized combustion system utilizing the high volatility and low sooting tendency of the fuel for improved fuel efficiency with minimal hardware modifications to the engine. The CFD model predictions were first validated against experimental results generated using the stock engine hardware. A comprehensive design of experiments (DoE) study was performed at different operating conditions on a world-leading supercomputer, MIRA at Argonne National Laboratory, to accelerate the development of an optimized fuel-efficiency focused design while maintaining the engine-out NOx and soot emissions levels of the baseline production engine.

The modeling of fuel sprays under well-characterized conditions relevant for heavy-duty Diesel engine applications, allows for detailed analyses of individual phenomena aimed at improving emission formation and fuel consumption. However, the complexity of a reacting fuel spray under heavy-duty conditions currently prohibits direct simulation. Using a systematic approach, we extrapolate available spray models to the desired conditions without inclusion of chemical reactions. For validation, experimental techniques are utilized to characterize inert sprays of n-dodecane in a high-pressure, high-temperature (900 K) constant volume vessel with full optical access. The liquid fuel spray is studied using high-speed diffused back-illumination for conditions with different densities (22.8 and 40 kg/m3) and injection pressures (150, 80 and 160 MPa), using a 0.205-mm orifice diameter nozzle.

Selective Catalytic Reduction (SCR) systems are nowadays widely applied for the reduction of NOx emitted from Diesel engines. The typical process is based on the injection of aqueous urea in the exhaust gases before the SCR catalyst, which determines the production of the ammonia needed for the catalytic reduction of NOx. However, this technology is affected by two main limitations: a) the evaporation of the urea water solution (UWS) requires a sufficiently high temperature of the exhaust gases and b) the formation of solid deposits during the UWS evaporation is a frequent phenomenon which compromise the correct operation of the system. In this context, to overcome these issues, a technology based on the injection of gaseous ammonia has been recently proposed: in this case, ammonia is stored at the solid state in a cartridge containing a Strontium Chloride salt and it is desorbed by means of electrical heating.

The Reynolds stress turbulence model (RSM) has been developed to go beyond the Boussinesq hypothesis and to improve turbulence modeling of flows with significant mean streamline curvature and secondary flow. In this paper the RSM in commercial CFD software CONVERGE is tested for its performance and robustness when applying to complex flows. Several validation cases including flow over flat plate, vortex combustor, diesel engine spray and combustion were selected to test the RSM. The swirling flow in vortex combustor, non-reacting but vaporizing ECN Spray A (free jet) and Sandia small bore diesel engine case are used to demonstrate the benefits of the RSM over the widely used RNG k-epsilon model without model tuning. The vortex combustor case shows the RSM can provide good prediction for strong swirling flow. ECN spray A case was used to demonstrate that the RSM can accurately predict the liquid and vapor penetration lengths of a free jet under diesel engine conditions.

A computational, three-dimensional approach to investigate the behavior of diesel soot particles in the micro-channels of wall-flow Diesel Particulate Filters is presented. The KIVA3V CFD code, already extended to solve the 2D conservation equations for porous media materials [1], has been enhanced to solve in 2-D and 3-D the governing equations for reacting and compressible flows through porous media in non axes-symmetric geometries. With respect to previous work [1], a different mathematical approach has been followed in the implementation of the numerical solver for porous media, in order to achieve a faster convergency as source terms were added to the governing equations. The Darcy pressure drop has been included in the Navier-Stokes equations and the energy equation has been extended to account for the thermal exchange between the gas flow and the porous wall.

NOx and PM are the critical emissions to meet the legislation limits for diesel engines. Often a value for these emissions is needed online for on-board diagnostics, engine control, exhaust aftertreatment control, model-based controller design or model-in-the-loop simulations. Besides the obvious method of measuring these emissions, a sensible alternative is to estimate them with virtual sensors. A lot of literature can be found presenting different modeling approaches for NOx emissions. Some are very close to the physics and the chemical reactions taking place inside the combustion chamber, others are only given by adapting general functions to measurement data. Hence, generally speaking, there is not a certain method which is seen as the solution for modeling emissions. Finding the best model approach is not straightforward and depends on the model application, the available measurement channels and the available data set for calibration.

Fuels in the gasoline auto-ignition range (Research Octane Number (RON) > 60) have been demonstrated to be effective alternatives to diesel fuel in compression ignition engines. Such fuels allow more time for mixing with oxygen before combustion starts, owing to longer ignition delay. Moreover, by controlling fuel injection timing, it can be ensured that the in-cylinder mixture is “premixed enough” before combustion occurs to prevent soot formation while remaining “sufficiently inhomogeneous” in order to avoid excessive heat release rates. Gasoline compression ignition (GCI) has the potential to offer diesel-like efficiency at a lower cost and can be achieved with fuels such as low-octane straight run gasoline which require significantly less processing in the refinery compared to today’s fuels.

The purpose of the European « SPACE LIGHT » (Whole SPACE combustion for LIGHT duty diesel vehicles) 3-year project launched in 2001 is to research and develop an innovative Homogeneous internal mixture Charged Compression Ignition (HCCI) for passenger cars diesel engine where the combustion process can take place simultaneously in the whole SPACE of the combustion chamber while providing almost no NOx and particulates emissions. This paper presents the whole project with the main R&D tasks necessary to comply with the industrial and technical objectives of the project. The research approach adopted is briefly described. It is then followed by a detailed description of the most recent progress achieved during the tasks recently undertaken. The methodology adopted starts from the research study of the in-cylinder combustion specifications necessary to achieve HCCI combustion from experimental single cylinder engines testing in premixed charged conditions.

Many new combustion concepts are currently being investigated to further improve engines in terms of both efficiency and emissions. Examples include homogeneous charge compression ignition (HCCI), lean stratified premixed combustion, stratified charge compression ignition (SCCI), and high levels of exhaust gas recirculation (EGR) in diesel engines, known as low temperature combustion (LTC). All of these combustion concepts have in common that the temperatures are lower than in traditional spark ignition or diesel engines. To further improve and develop combustion concepts for clean and highly efficient engines, it is necessary to develop new computational tools that can be used to describe and optimize processes in nonstandard conditions, such as low temperature combustion.

Computational fluid dynamics represents a useful tool to support the design and development of Heavy Duty Engines, making possible to test the effects of injection strategies and combustion chamber design for a wide range of operating conditions. Predictive models are required to ensure accurate estimations of heat release and the main pollutant emissions within a limited amount of time. For this reason, both detailed chemistry and turbulence chemistry interaction need to be included. In this work, the authors intend to apply combustion models based on tabulated kinetics for the prediction of Diesel combustion in Heavy Duty Engines. Four different approaches were considered: well-mixed model, presumed PDF, representative interactive flamelets and flamelet progress variable. Tabulated kinetics was also used for the estimation of NOx emissions.

The 3-Zones Extended Coherent Flame Model (ECFM3Z) and the Tabulated Kinetics for Ignition (TKI) auto-ignition model are widely used for RANS simulations of reactive flows in Diesel engines. ECFM3Z accounts for the turbulent mixing between one zone that contains compressed air and EGR and another zone that contains evaporated fuel. These zones mix to form a reactive zone where combustion occurs. In this mixing zone TKI is applied to predict the auto-ignition event, including the ignition delay time and the heat release rate. Because it is tabulated, TKI can model complex fuels over a wide range of engine thermodynamic conditions. However, the ECFM3Z/TKI combustion modeling approach requires an efficient predictive spray injection calculation. In a Diesel direct injection engine, the turbulent mixing and spray atomization are mainly driven by the liquid/gas coupling phenomenon that occurs at moving liquid/gas interfaces.

Interest in operational cost reduction is driving engine manufacturers to consider low-cost fuel substitution in heavy-duty diesel engines. These dual-fuel (DF) engines could be operated either in diesel-only mode or operated with premixed natural gas (NG) ignited by a pilot flame of compression-ignited direct-injected diesel fuel. Under certain conditions, dual-fuel operation can result in increased cycle-to-cycle variability (CCV) during combustion. CFD can greatly help in understanding and identifying critical parameters influencing CCV. Innovative modelling techniques and large computing resources are needed to investigate the factors affecting CCV in dual-fuel engines. This paper discusses the use of the High Performance Computing resource Titan, at Oak Ridge National Laboratory, to investigate CCV of a dual-fuel engine.

Premixed combustion modes in compression ignition engines are studied as a promising solution to meet fuel economy and increasingly stringent emissions regulations. Nevertheless, PCCI combustion systems are not yet consolidated enough for practical applications. The high complexity of such combustion systems in terms of both air-fuel charge preparation and combustion process control requires the employment of robust and reliable numerical tools to provide adequate comprehension of the phenomena. Object of this work is the development and validation of suitable models to evaluate the effects of charge premixing levels in diesel combustion. This activity was performed using the Lib-ICE code, which is a set of applications and libraries for IC engine simulations developed using the OpenFOAM® technology.

The accurate modeling of fuel spray behavior under diesel engine conditions requires well-characterized boundary conditions. Among those conditions, the spray cone angle is important due to its impact on the spray mixing process, flame lift-off locations and subsequent soot formation. The spray cone angle is a highly dynamic variable, but existing correlations have been developed mainly for diesel fuels at quasi-steady state and relatively low injection pressures. The objective of this study was to develop spray cone angle correlations for both diesel and a light-end gasoline fuel over a wide range of diesel-engine operating conditions that are capable of capturing both the transient and quasi-steady state processes. Two important macroscopic characteristics of solid cone sprays, the spray cone angle and spray penetration, were measured using a single-hole heavy-duty injector using two fuels at diesel engine conditions in an optical constant volume vessel.

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.

Multiple injections and high EGR rates are now widely adopted for combustion and emissions control in passenger car diesel engines. In a wide range of operating conditions, fuel is provided through one to five separated injection events, and recirculated gas fractions between 0 to 30% are used. Within this context, fast and reliable multi-dimensional models are necessary to define suitable injection strategies for different operating points and reduce both the costs and time required for engine design and development. In this work, the authors have applied a modified version of the characteristic time-scale combustion model (CTC) to predict combustion and pollutant emissions in diesel engines using advanced injection strategies. The Shell auto-ignition model is used to predict auto-ignition, with a suitable set of coefficients that were tuned for diesel fuel.

Detailed chemical kinetics, although preferred due to increased accuracy, can significantly slow down CFD combustion simulations. Chemistry solutions are typically the most computationally costly step in engine simulations. The calculation time can be significantly accelerated using a multi-zone combustion model. The multi-zone model is integrated into the CONVERGE CFD code. At each time-step, the CFD cells are grouped into zones based on the cell temperature and equivalence ratio. The chemistry solver is invoked only on each zone. The zonal temperature and mass fractions are remapped onto the CFD cells, such that the temperature and composition non-uniformities are preserved. Two remapping techniques published in the literature are compared for their relative performance. The accuracy and speed-up of the multi-zone model is improved by using variable bin sizes at different temperature and equivalence ratios.