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The combustion of gaseous fuels like methane in internal combustion engines is an interesting alternative to the conventional gasoline and diesel fuels. Reasons are the availability of the resource and the significant advantage in terms of CO2 emissions due to the beneficial C/H ratio. One difficulty of gaseous fuels is the preparation of the gas/air mixtures for all operation points, since the volumetric energy density of the fuel is lower compared to conventional liquid fuels. Low-pressure port-injected systems suffer from substantially reduced volumetric efficiencies. Direct injection systems avoid such losses; in order to deliver enough fuel into the cylinder, high pressures are however needed for the gas injection which forces the fuel to enter the cylinder at supersonic speed followed by a Mach disk. The detailed modeling of these physical effects is very challenging, since the fluid velocities and pressure and velocity gradients at the Mach disc are very high.

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).

Three-dimensional reactive computational fluid dynamics (CFD) plays a crucial role in IC engine development tasks complementing experimental efforts by providing improved understanding of the combustion process. A widely adopted combustion model in the engine community for (partially) premixed combustion is the G-Equation where the flame front is represented by an iso-level of an arbitrary scalar G. A convective-reactive equation for this iso-surface is solved, for which the turbulent flame speed ST must be provided. In this study, the commonly used and well-established Damköhler approach is compared to a novel correlation, derived from an algebraic closure for the scalar dissipation of reaction progress as proposed by Kolla et al. [1].

An existing three-stage ignition delay model which has seen successful application to Primary Reference Fuels (PRFs) has been extended to six surrogate fuels which constitute potential candidates for future Homogeneous Charge Compression Ignition (HCCI) engines. The fuels include petroleum-derived and oxygenated components and can be divided into low, intermediate and high cetane number groups. A new methodology to obtain the model parameters is presented which relies jointly on simulation and experimental data: in a first step, constant volume adiabatic reactor simulations using chemical kinetic mechanisms are performed to generate ignition delays for a very wide range of conditions, namely variations in equivalence ratio, Exhaust Gas Recirculation (EGR), pressure and temperature.

The interaction of turbulent premixed methane combustion with the surrounding flow field can be studied using optically accessible test rigs such as a rapid compression expansion machine (RCEM). The high flexibility offered by such a test rig allows its operation at various thermochemical conditions at ignition. However, limitations inherent to such test rigs due to the absence of an intake stroke do not allow turbulence production as found in IC-engines. Hence, means to introduce turbulence need to be implemented and the relevant turbulence quantities have to be identified in order to enable comparability with engine relevant conditions. A dedicated high-pressure direct injection of air at the beginning of the compression phase is considered as a measure to generate adjustable turbulence intensities at spark timing and during the early flame propagation.

Modern Diesel engines have become ever more complex systems with many degrees of freedom. Simultaneously, with increasing computational power, simulations of engines have become more popular, and can be used to find the optimum set up of engine operation parameters which result in the desired point in the emission-efficiency trade off. With increasing number of engine operation parameter combinations, the number of calculations increase exponentially. Therefore, adequate models for combustion and emissions with limited calculation costs are required. For obvious reasons, the accuracy of the ignition timing is a key point for the following combustion and emission model quality. Furthermore, the combination of mixing and chemical processes during the ignition delay is very challenging to model in a fast way for a wide range of operation conditions.

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.

Large Eddy Simulations (LES) provide instantaneous values indispensable to conduct statistical studies of relevant fluctuating quantities for diesel sprays. However, numerous realizations are generally necessary for LES to derive statistically averaged quantities necessary for validation of the numerical framework by means of measurements and for conducting sensitivity studies, leading to extremely high computational efforts. In this context, the aim of this work is to explore and validate alternatives to the simulation of 20-50 single realizations at considerably lower computational costs, by taking advantage of the axisymmetric geometry and the Quasi-Steady-State (QSS) condition of the near nozzle flow at a certain time after start-of-injection (SOI).

A phenomenological model for heat release rate predictions taking into account the characteristic processes inside a direct injection gasoline engine is presented. Fuel evaporation and preparation as well as the specifics of premixed and mixing controlled combustion phase are regarded. Only a few model constants need to be set which have been fit empirically for the application in a one-cylinder research engine. This jet guided direct injection gasoline engine employs a modern common-rail injection system and runs predominantly in stratified mode. The model allows the prediction of the influence of numerous parameter variations, e.g. injection-ignition phasing, load, engine speed, swirl, etc. on the combustion process. Furthermore efficient simulations can be carried out without using expensive three-dimensional CFD (computational fluid dynamics) calculations.

Large Eddy Simulation (LES) of premixed turbulent combustion in a confined cylinder setup at engine relevant conditions has been carried out for three different initial turbulence intensities, mimicking different flame propagation regimes. Direct Numerical Simulation (DNS) of the setup under investigation provides the reference data to be compared against. The DNS fields have been filtered on the LES grid and are used as initial conditions for the LES at onset of combustion, guaranteeing a direct comparability of the single realizations between the modeled and reference data. Two different combustion models, the G-Equation and CMC-premixed (Conditional Moment Closure) are compared with respect to their predictive capabilities as well as their usability and computational cost. While the G-Equation is a widely adopted approach for industrial applications and usually relies on a tunable turbulent flame speed closure, the novel LES-CMC comes as a tuning parameter free model.

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.

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).

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.

Most of the phenomena that occur during the high pressure cycle of a spark ignition engine are highly influenced by the gas temperature, turbulence intensity and turbulence length scale inside the cylinder. For a pre chamber gas engine, the small volume and the high surface-to-volume ratio of the pre chamber increases the relative significance of the gas-to-wall heat losses, the early flame kernel development and the wall induced quenching; all of these phenomena are associated up to a certain extent with the turbulence and temperature field inside the pre chamber. While three-dimensional (3D) computational fluid dynamics (CFD) simulations can capture complex phenomena inside the pre chamber with high accuracy, they have high computational cost. Quasi dimensional models, on the contrary, provide a computationally inexpensive alternative for simulating multiple operating conditions as well as different geometries.

In this study, the influence of injector diameter on the combustion of diesel sprays in an optically accessible combustion chamber of marine engine dimensions and conditions has been investigated experimentally as well as numerically. Five different orifice diameters ranging between 0.2 and 1.2 mm have been considered at two different ambient temperatures: a “cold” case with 800 K and a “warm” case with 900 K, resulting in a total of ten different test conditions. In the experiment, the reactive spray flames were characterized by means of high-speed OH* chemiluminescence imaging. The measurements revealed a weak impact of the injector diameter on ignition delay (ID) time and flame lift-off length (LOL) whereas the influence of ambient temperature was found to be more pronounced, consistent with former studies in the literature for smaller orifice diameters.

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.

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.

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.

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.

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.