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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.

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.

In the next years, the upcoming emission legislations are expected to introduce further restrictions on the admittable level of pollutants from vehicles measured on homologation cycles and real drive tests. In this context, the strict control of pollutant emissions at the cold start will become a crucial point to comply with the new regulation standards. This will necessarily require the implementation of novel strategies to speed-up the light-off of the reactions occurring in the after-treatment system, since the cold start conditions are the most critical one for cumulative emissions. Among the different possible technological solutions, this paper focuses on the evaluation of the potential of a burner system, which is activated before the engine start. The hypothetical burner exploits the lean combustion of an air-gasoline mixture to generate a high temperature gas stream which is directed to the catalyst section promoting a fast heating of the substrate.

The selective catalytic reduction has seen widespread adoption as the best technology to reduce the NOx emissions from internal combustion engines, particularly for Diesels. This technology uses ammonia as a reducing agent, which is obtained injecting an ammonia carrier into the exhaust gas stream. The dosing of the ammonia carrier, usually AdBlue, is the major concern during the design and engine calibration phases, since the interaction between the injected liquid and the components of the exhaust system can lead to the undesired formation of solid deposits. To avoid this, the thermal and kinematic interaction between the spray and the components of the after treatment system (ATS) must be modeled accurately. In this work, the authors developed a Conjugate Heat Transfer (CHT) framework to model the kinetic and thermal interaction among the spray, the eventual liquid layer and the pipe walls.

In recent years, the increase of gasoline fuel injection pressure is a way to improve thermal efficiency and lower engine-out emissions in GDI homogenous combustion concept. The challenge of controlling particulate formation as well in mass and number concentrations imposed by emissions regulations can be pursued improving the mixture preparation process and avoiding mixture inhomogeneity with ultra-high injection pressure values up to 100 MPa. The increase of the fuel injection pressure in GDI homogeneous systems meets the demand for increased injector static flow, while simultaneously improves the spray atomization and mixing characteristics with consequent better combustion performance. Few studies quantify the effects of high injection pressure on transient gasoline spray evolution. The aim of this work was to simulate with OpenFOAM the spray morphology of a commercial gasoline injected in a constant volume vessel by a prototypal GDI injector.

The injection process of urea-water solution (AdBlue) determines initial conditions for reactions and catalysis and is fundamentally responsible for optimal operation of selective catalytic reduction (SCR) systems. The spray characteristics of four, commercially available, injectors (one air-assisted and three pressure-driven with different nozzle-hole configurations) are investigated with non-intrusive measuring techniques. Injection occurred in the crossflow of a channel blowing preheated air in an exhaust duct similar configuration. The effect of several gas temperatures and flows on the spray propagation and entrainment has been extensively studied by shadow imaging. Shadow images, in addition, show that the spray of the pressure-driven injectors is only marginally affected by the gas crossflow. In contrast, the air assisted spray is strongly deflected by the gas, the effect increasing with increasing gas flow.

An aqueous urea solution is used as the source of ammonia for selective catalytic reduction (SCR) of NOx to reduce the emissions of NOx in the exhaust of diesel vehicles. However, the decomposition of urea into ammonia is not always complete, resulting in solid urea deposit formation in the decomposition tube or on the SCR catalyst. These solid deposits can impede the flow of the exhaust gases (and uniformity of NH3 supply) and reduce SCR catalyst performance over time. To minimize the formation of urea deposit and to meet EPA NOx emission regulations, it is important to understand the chemistry of formation or removal of the deposit in the decomposition tube and SCR catalyst. In this report, IR spectroscopy, UV-visible spectroscopy, thermogravimetric analysis and elemental analysis have been used to determine the chemical composition of the solid urea deposits formed by the thermal decomposition of urea.

This paper investigates an optimal design of a diesel engine and after-treatment systems for a series hybrid electric forklift application. A holistic modeling approach is developed in GT-Suite® to establish a model-based hardware definition for a diesel engine and an after-treatment system to accurately predict engine performance and emissions. The used engine model is validated with the experimental data. The engine design parameters including compression ratio, boost level, air-fuel ratio (AFR), injection timing, and injection pressure are optimized at a single operating point for the series hybrid electric vehicle, together with the performance of the after-treatment components. The engine and after-treatment models are then coupled with a series hybrid electric powertrain to evaluate the performance of the forklift in the standard VDI 2198 drive cycle.

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.

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.

In this paper, a model-based linear estimator and a non-linear control law for an Fe-zeolite urea-selective catalytic reduction (SCR) catalyst for heavy duty diesel engine applications is presented. The novel aspect of this work is that the relevant species, NO, NO2 and NH3 are estimated and controlled independently. The ability to target NH3 slip is important not only to minimize urea consumption, but also to reduce this unregulated emission. Being able to discriminate between NO and NO2 is important for two reasons. First, recent Fe-zeolite catalyst studies suggest that NOx reduction is highly favored by the NO 2 based reactions. Second, NO2 is more toxic than NO to both the environment and human health. The estimator and control law are based on a 4-state model of the urea-SCR plant. A linearized version of the model is used for state estimation while the full nonlinear model is used for control design.

Transient and steady-state kinetic data are herein presented to analyze the inhibiting effect of ammonia on the NH₃-SCR of NO at low temperatures over a Fe-zeolite commercial catalyst for vehicles. It is shown that in SCR converter models a rate expression accounting for NH₃ inhibition of the Standard SCR reaction is needed in order to predict the specific dynamics observed both in lab-scale and in engine test bench runs upon switching on and off the ammonia feed. Two redox, dual site kinetic models are developed which ascribe such inhibition to the spill-over of ammonia from its adsorption sites, associated with the zeolite, to the redox sites, associated with the Fe promoter. Better agreement both with lab-scale intrinsic kinetic runs and with engine test-bench data, particularly during transients associated with dosing of ammonia to the SCR catalyst, is obtained assuming slow migration of NH₃ between the two sites.

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.

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.

A 2-D CFD model was developed to describe the heat transfer, and reaction kinetics in a honeycomb structured ceramic diesel particulate trap. This model describes the steady state as well as the transient behavior of the flow and heat transfer during the trap regeneration processes. The trap temperature profile was determined by numerically solving the 2-D unsteady energy equation including the convective, heat conduction and viscous dissipation terms. The convective terms were based on a 2-D analytical flow field solution derived from the conservation of mass and momentum equations (Opris, 1997). The reaction kinetics were described using a discretized first order Arrhenius function. The 2-D term describing the reaction kinetics and particulate matter conservation of mass was added to the energy equation as a source term in order to represent the particulate matter oxidation. The filtration model describes the particulate matter accumulation in the trap.

A global optimization method has been developed for an engine simulation code and utilized in the search of optimal fuel injection strategies. This method uses a Lagrange interpolation function which interpolates engine output data generated at the vertices and the intermediate points of the input parameters. This interpolation function is then used to find a global minimum over the entire parameter set, which in turn becomes the starting point of a CFD-based optimization. The CFD optimization is based on a steepest descent method with an adaptive cost function, where the line searches are performed with a fast-converging backtracking algorithm. The adaptive cost function is based on the penalty method, where the penalty coefficient is increased after every line search. The parameter space is normalized and, thus, the optimization occurs over the unit cube in higher-dimensional space.

Model-based control strategies are important for meeting the dual objective of maximizing NOx reduction and minimizing NH3 slip in urea-SCR catalysts. To be implementable on the vehicle, the models should capture the essential behavior of the system, while not being computationally intensive. This paper discusses the adequacy of two different reduced order SCR catalyst models and compares their performance with a higher order model. The higher order model assumes that the catalyst has both diffusion and reaction kinetics, whereas the reduced order models contain only reaction kinetics. After describing each model, its parameter identification and model validation based on experiments on a Navistar I6 7.6L engine are presented. The adequacy of reduced order models is demonstrated by comparing the NO, NO2 and NH3 concentrations predicted by the models to their concentrations from the test data.

The discrete droplet model is widely used to describe two-phase flows such as high-velocity dense sprays. The interaction between the liquid and the gas phase is modeled via appropriate source terms in the gas phase equations. This approach can lead to a strong dependence of the liquid-gas coupling on the spatial resolution of the gas phase. The liquid-gas coupling requires the computation of source terms using the gas phase properties, and, subsequently, these sources are then distributed onto the gas phase mesh. In this study, a Lagrange polynomial interpolation method has been developed to evaluate the source terms and also to distribute these source terms onto the gas mesh. The focus of this investigation has been on the momentum exchange between the two phases. The Lagrange polynomial interpolation and source term distribution methods are evaluated for non-evaporating sprays using KIVA3 as a modeling platform.

Non-evaporating diesel sprays have been simulated utilizing the ETAB and the WAVE atomization and breakup models and have been compared with experimental data. The experimental penetrations and widths were determined from back-lit spray images and the droplet sizes have been measured by means of a Malvern particle sizer. The model evaluation criteria include the spray penetration, the spray width and the local droplet size. The comparisons have been performed for variations of the injection pressure, the gas density and the fuel viscosity. The fuel nozzle exit velocities used in the simulations have been computed with a special code that considers the effect of in-nozzle cavitation. The simulations showed good overall agreement with experimental data. However, the capabilities of the models to predict the droplet size for different fuels could be improved.

Objective of this work is the incorporation of the flame stretch effects in an Eulerian-Lagrangian model for premixed SI combustion in order to describe ignition and flame propagation under highly inhomogeneous flow conditions. To this end, effects of energy transfer from electrical circuit and turbulent flame propagation were fully decoupled. The first ones are taken into account by Lagrangian particles whose main purpose is to generate an initial burned field in the computational domain. Turbulent flame development is instead considered only in the Eulerian gas phase for a better description of the local flow effects. To improve the model predictive capabilities, flame stretch effects were introduced in the turbulent combustion model by using formulations coming from the asymptotic theory and recently verified by means of DNS studies. Experiments carried out at Michigan Tech University in a pressurized, constant-volume vessel were used to validate the proposed approach.