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The NO reduction in an ammonia SCR converter has been simulated by a 1D+1D model for a single representative channel to parametrically study the characteristics of the system under typical operating conditions. An appropriate model has been selected interpreting the chemical behavior of the system and the parameters are calibrated based on a comprehensive set of experiments with an Fe-Zeolite washcoated monolith for different feed concentrations, temperatures and flow rates. Physical and chemical properties are determined as well as kinetics and rate parameters and the model has been verified by experimental data at different operating conditions. Three different mechanisms for the surface kinetics to model NO reduction have been assessed and the results have been compared in the cases of steady DeNO performance and transient response of the system. Ammonia inhibition is considered in the model since it has a major effect specifically under transient operating conditions.

Cycle-to-cycle variations in internal combustion engines are known to lead to limitations in engine load and efficiency, as well as increases in emissions. Recent research has led to the identification of the source of cyclic variations of pressure, soot and NO emissions in direct injection common rail diesel engines, when employing a single block injection and operating under long ignition delay conditions. The variations in peak pressure arise from changes in the diffusion combustion rate, caused by randomly occurring in-cylinder pressure fluctuations. These fluctuations result from the excitation of the first radial mode of vibration of the cylinder gases which arises from the rapid premixed combustion after the long ignition delay period. Cycles with high-intensity fluctuations present faster diffusion combustion, resulting in higher cycle peak pressure, as well as higher measured exhaust NO concentrations.

The operation of dual fuel engines, operated with natural gas as main fuel, offers the potential of substantial savings in CO2. Nevertheless, the operating map area where low pollutant emissions are produced is very narrow. Especially at low load, the raw exhaust gas contains high concentrations of unburned methane and, with high pilot fuel portions due to ignition limitations, also soot. The analysis of the combustion in those conditions in particular is not trivial, since multiple combustion modes are present concurrently. The present work focuses on the evaluation of the individual combustion modes of a dual fuel engine, operated with natural gas as main and diesel as pilot fuel, using a combustion model. The combustion has been split in two partwise concurrent combustion phases: the auto-ignition phase and the premixed flame propagation phase.

In this study, numerical simulations of in-cylinder processes associated to fuel post-injection in a diesel engine operated at Low Temperature Combustion (LTC) have been performed. An extended Conditional Moment Closure (CMC) model capable of accounting for an arbitrary number of subsequent injections has been employed: instead of a three-feed system, the problem has been described as a sequential two-feed system, using the total mixture fraction as the conditioning scalar. A reduced n-heptane chemical mechanism coupled with a two-equation soot model is employed. Numerical results have been validated with measurements from the optically accessible heavy-duty diesel engine installed at Sandia National Laboratories by comparing apparent heat release rate (AHRR) and in-cylinder soot mass evolutions for three different start of main injection, and a wide range of post injection dwell times.

Numerical simulations of diesel sprays in a constant-volume vessel have been performed with the conditional moment closure (CMC) combustion model for a broad range of conditions. On the oxidizer side these include variations in ambient temperature (800-1100 K), oxygen volume fraction (15-21%) and density (7.3-58.5 kg/m₃) and on the fuel side variation in injector orifice diameter (50-363 μm) and fuel pressure (600-1900 bar); in total 22 conditions. Results are compared to experimental data by means of ignition delay and flame lift-off length (LOL). Good agreement for both quantities is reported for the vast majority of conditions without any changes to model constants: the variations relating to the air side are quantitatively accurately predicted; for the fuel side (viz. orifice diameter and injection pressure) the trends are qualitatively well reproduced.

Optical soot pyrometry is a mature experimental technique that has been applied to a broad range of combustion systems for measuring soot temperature and concentration. Even though the method is widely used and well documented, the line of sight nature of the technique makes the interpretation of its results challenging. Notably, gradients in temperature and soot concentration along the line of sight or across the field of view can introduce significant levels of uncertainty in the results. This paper presents a numerical study where the signal from the experimental two-color pyrometry technique in a marine diesel engine reference experiment is reconstructed employing computational fluid dynamics (CFD) and a detailed Line-by-Line (LBL) spectral radiation model. The analysis is aimed at qualitatively supporting interpretability of experimental observations.

Emissions and performance parameters of a medium size, medium speed D.I. diesel engine with increased charge air pressure and reduced but fixed inlet valve opening period have been measured and compared to the standard engine. While power output and fuel consumption are slightly improved, nitric oxide emissions can be reduced by up to 20%. The measurements confirm the results of simulations for both performance and emissions, for which a quasidimensional model including detailed chemistry for nitric oxide prediction has been developed.

A new approach within the well-known trade-off in combustion process simulations between computational efforts (and thus the capability for engine operating map calculations) on the one hand, and accuracy of predictions on the other, has been developed and applied successfully to diesel combustion, in particular to energy release and pollutant formation. Using phenomenological models in combination with bio-inspired algorithms (for parameter identification), it is now possible to predict thermal, chemical and injection related engine characteristics over an entire operating map including different types of fuel (e.g. diesel, water-in-diesel emulsions and oxygenated diesel).

Dual-fuel natural gas engines are seen as an attractive solution for simultaneous reduction of pollutant and CO2 emissions while maintaining high engine thermal efficiency. However, engines of this type exhibit a tradeoff between misfire as well as high UHC emissions for small pilot injection amounts and higher emissions of soot and NOX for operation strategies with higher pilot fuel proportion. The aim of this study was to investigate POMDME as an alternative pilot fuel having the potential to mitigate the emissions tradeoff, enabling smokeless combustion due to high degree of oxygenation, and being less prone to misfire due to its higher cetane number. Furthermore, POMDME can be synthetized carbon neutrally. First, characteristics of POMDME ignition in methane/air mixture and the transition into premixed flame propagation were investigated optically in a rapid compression-expansion machine (RCEM) by employing Schlieren and OH* chemiluminescence imaging.

Oxygenated fuel additives are currently an important research topic for particulate emissions reduction in diesel engines with direct injection (DI) to meet future emission regulations. In this work more than twenty oxygenated hydrocarbons from the literature were considered as diesel fuel additives. Butylal (an acetal compound, chemical formula C9H20O2) offers significant advantages over most other oxygenates in that its physical properties are very close to those of common diesel fuel. Wear scar measurements were conducted to evaluate the lubricity characteristics of diglyme (C6H14O3), ethyldiglyme (C8H18O3), butylal and different diesel-butylal mixtures. The results reveal the low lubricity of all oxygenated compounds. Thus, for the engine tests, a lubricity improver has been added to the diesel-butylal mixtures.

The sooting propensity of dual-fuel combustion with n-dodecane pilot injection in a lean-premixed methane-air charge has been investigated using an optically accessible Rapid Compression-Expansion Machine (RCEM) to achieve engine-relevant pressure and temperature conditions at the start of pilot injection. A Diesel injector with a 100 μm single-hole coaxial nozzle, mounted at the cylinder periphery, has been employed to admit the pilot fuel. The aim of this study was to enhance the fundamental understanding of soot formation and oxidation processes of n-dodecane in the presence of methane in the air charge by parametric variation of methane equivalence ratio, charge temperature, and pilot fuel injection duration. The influence of methane on ignition delay and flame extent of the pilot fuel jet has been determined by simultaneous excited-state hydroxyl radical (OH*) chemiluminescence and Schlieren imaging.

In this work, numerical simulations of an automotive-sized scavenged pre-chamber mounted in an optically-accessible rapid compression-expansion machine (RCEM) have been carried out using two different turbulence models: Reynolds-Averaged Navier-Stokes (RANS) and Large-Eddy Simulation (LES). The RANS approach is combined with the G-equation combustion model, whereas the LES approach is coupled with the flamelet generated manifold (FGM) model for partially-premixed combustion. Simulation results are compared with experimental data in terms of OH* chemiluminescence in the main chamber. Both RANS and LES results were found to qualitatively reproduce the main features observed experimentally in terms of spatial flame development. Simulation results are further analysed by means of early flame propagation within the pre-chamber (related to the fuel and turbulence intensity distributions) and the ignition process in the main chamber.

Formation of soot in an auto-igniting n-dodecane spray under diesel engine relevant conditions has been investigated numerically. As opposed to research addressing turbulence-chemistry interaction (TCI) by coupling diffusive turbulence models with more sophisticated models in the context of Reynolds-Averaged Navier-Stokes equations (RANS), this study employs the advanced sub-grid scale k-equation model in the framework of a Large Eddy Simulation (LES) together with the uninvolved Direct Integration (DI) approach. A reduced n-heptane chemical mechanism has been employed and artificially accelerated in order to predict the ignition for n-dodecane accurately. Soot processes have been modelled with an extended version of the semi-empirical, two-equation model of Leung, which considers C2H2 as the soot precursor and accounts for particle inception, surface growth by C2H2 addition, oxidation by O2, oxidation by OH and particle coagulation.

In the present work numerical simulations were carried out investigating the effect of fuel type, nozzle-geometry variations and back-pressure changes on high-pressure gas injections under application-relevant conditions. Methane, hydrogen and nitrogen with a total pressure of 500 bar served as high-pressure fuels and were injected into air at rest at 200 bar and 100 bar. Different nozzle shapes were simulated and the analysis of the results lead to a recommendation for the most advantageous geometry regarding jet penetration, volumetric growth, mixing enhancement and discharge coefficient. Additionally an artificial inlet boundary conditions was tested for the use with real-gas thermodynamics and was shown to be capable of reducing the simulation time significantly.

Combustion engines for decentralized power generation or cogeneration in general, are subject to increasingly stringent pollutant emissions regulations. Motivated by the Europe-;wide lowest allowable NOx levels in Switzerland - particularly in the Zurich metropolitan area with 50 mg/Nm3 at 5% O2 - and in close cooperation with industry, the I.C. Engines and Combustion Laboratory (LVV) of the Swiss Federal Institute of Technology Zurich (ETHZ) has investigated some new operating concepts and engine processes in order to overcome the dilemma between low emissions and high efficiency, which is usually encountered in engine optimization. Our final approach thereby involves the Exhaust Gas Recirculation (EGR) combined with stoichiometric mixture (λ = 1) and a 3-way catalytic converter. The engine is supercharged and the intake mixture aftercooled for high power density and thermal efficiency.

A recently developed auto-ignition model based on a single transport equation in combination with a reduced kinetic scheme has been validated and tested in combination with a cascade jet and droplet breakup model. The validation has been performed by comparing ignition locations and delays for various thermodynamic conditions with experimental data from a high-pressure combustion cell. Also for medium-size diesel engine applications, predictions of ignition delay are in good agreement with experimental observations. In addition, a new approach to the modeling of the early flame development in diesel engine combustion is introduced. The reaction rate in the transition phase from the premixed to the mixing-controlled combustion mode is determined by means of a sub-grid scale model, which describes the evolution of a turbulent diffusion flame. The model has been tested during the early combustion phase of a medium-size, medium-speed DI diesel engine.

This study investigates n-dodecane split injections of “Spray A” from the Engine Combustion Network (ECN) using two different turbulence treatments (RANS and LES) in conjunction with a Conditional Moment Closure combustion model (CMC). The two modeling approaches are first assessed in terms of vapor spray penetration evolutions of non-reacting split injections showing a clearly superior performance of the LES compared to RANS: while the former successfully reproduces the experimental results for both first and second injection events, the slipstream effect in the wake of the first injection jet is not accurately captured by RANS leading to an over-predicted spray tip penetration of the second pulse. In a second step, two reactive operating conditions with the same ambient density were investigated, namely one at a diesel-like condition (900K, 60bar) and one at a lower temperature (750K, 50bar).

Large Eddy Simulations (LES) and tracer-based Laser-Induced Fluorescence (LIF) measurements were performed to study the dynamics of fuel wall-films on the piston top of an optically accessible, four-valve pent-roof GDI research engine for a total of eight operating conditions. Starting from a reference point, the systematic variations include changes in engine speed (600; 1,200 and 2,000 RPM) and load (1000 and 500 mbar intake pressure); concerning the fuel path the Start Of Injection (SOI=360°, 390° and 420° CA after gas exchange TDC) as well as the injection pressure (10, 20 and 35 MPa) were varied. For each condition, 40 experimental images were acquired phase-locked at 10° CA intervals after SOI, showing the wall-film dynamics in terms of spatial extent, thickness and temperature.

Knock is studied in a single cylinder direct injection spark ignition engine with variable intake temperatures at wide open throttle and stoichiometric premixed ethanol-air mixtures. At different speeds and intake temperatures spark angle sweeps have been performed at non-knocking conditions and varying knock intensities. Heat release rates and two zone temperatures are computed for both the mean and single cycle data. The in-cylinder pressure traces are analyzed during knocking combustion and have led to a definition of knocking conditions both for every single cycle as well as the mean engine cycle of a single operating point. The timing for the onset of knock as a function of degree crank angle and the mass fraction burned is determined using the “knocking” heat release and the pressure oscillations typical for knocking combustion.

State of the art high-pressure fuel injectors offer the ability to inject multiple times per cycle, and can reach very low fuel amounts per injection event. This behaviour allows the application of pilot injections in diesel engine applications or dual fuel engines. In both diesel and dual fuel engines, the amount of pilot fuel affects the engine efficiency. The understanding of the underlying ignition mechanism of the pilot fuel is required to optimize injection parameters and the engines’ fuel consumption. The present work focuses on the differences of ignition mechanisms between long and short injections. The investigation has been performed numerically, using CFD with a well-proven combustion model. The setup used employs a well characterized single orifice injector, injecting into a high temperature, pressurized environment with a composition of 15% oxygen.