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Journal Article

Transient simulation of NOx reduction over a Fe-Zeolite catalyst in an NH3-SCR system and study of the performance under different operating 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.
Journal Article

The Effect of Cycle-to-Cycle Variations on the NOx-SFC Tradeoff in Diesel Engines under Long Ignition Delay 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.
Technical Paper

THE Post Injection: Coalescence of 3D CFD-CMC Simulation, 2D Visualizations in a Constant Volume Chamber and Application in a Modern Passenger Car Diesel Engine

Past research has shown that post injections have the potential to reduce Diesel engine exhaust PM concentration without any significant influence in NOx emissions. However, an accurate, widely applicable rule of how to parameterize a post injection such that it provides a maximum reduction of PM emissions does not exist. Moreover, the underlying mechanisms are not thoroughly understood. In past research, the underlying mechanisms have been investigated in engine experiments, in constant volume chambers and also using detailed 3D CFD-CMC simulations. It has been observed that soot reduction due to a post injection is mainly due to two reasons: increased turbulence from the post injection during soot oxidation and lower soot formation due to lower amount of fuel in the main combustion at similar load conditions. Those studies do not show a significant temperature rise caused by the post injection.
Technical Paper

Strategies for Future Engine Combustion Systems - Homogeneous or Stratified Charge?

In this study we classify established and possible future engine combustion systems according to two main criteria, i.e. charge preparation (homogeneous or stratified) and type of combustion initiation (external, typically spark ignition and internal, typically due to compression). We discuss the relevant pros and cons of the four resulting energy conversion processes with emphasis on combustion stability, thermal efficiency and pollutant emissions. We show thereby that these output parameters are dominated by specific thermochemical and fluiddynamic processes as well as their complex interaction within the time scales of a thermodynamically optimal energy conversion at a given engine speed and load. For unsteady operation in mobile applications, the complexity of new combustion concepts may, nevertheless, prevent a breakthrough, despite their in-principle attractivity.
Technical Paper

Spray Model Based Phenomenological Combustion Description and Experimental Validation for a Dual Fuel Engine

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.
Journal Article

Soot Emission Measurements and Validation of a Mean Value Soot Model for Common-Rail Diesel Engines during Transient Operation

Measurements of the soot emissions and engine operating parameters from a diesel engine during transient operation were used to investigate the influence of transient operation on the soot emissions, as well as to validate a realtime mean value soot model (MVSM, [1]) for transient operation. To maximize the temporal resolution of the soot emission and engine parameter measurements (in particular EGR), fast instruments were used and their dynamic responses characterized and corrected. During tip-in transients, an increase in the soot emissions was observed due to a short term oxygen deficit compared to steady-state operation. No significant difference was seen between steady-state and transient operation for acceleration transients. When the MVSM was provided with inputs of sufficient temporal resolution, it was capable of reproducing the qualitative and, in part, quantitative soot emission trends.
Technical Paper

Simulations of In-Cylinder Processes in a Diesel Engine Operated with Post-Injections Using an Extended CMC Model

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.
Journal Article

Simulations of Diesel Sprays Using the Conditional Moment Closure Model

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.
Technical Paper

Scaling Aspects of the Characteristic Time Combustion Model in the Simulation of Diesel Engines

Combustion simulations utilizing the characteristic time combustion model have been performed for four DI diesel engines ranging in size from heavy-duty to large-bore designs. It has been found that the pre-factor to the turbulent characteristic time acts as a scaling parameter between the engines. This phenomenon is explained in terms of the non-equilibrium behavior of the turbulent time and length scales, as is encountered in the rapidly distorting, spray-induced flows of DI diesel engines. In fact, the equilibrium assumption between turbulence production and dissipation, which forms the basis for the employed k-ε-type turbulence models, does not hold in these situations. For such flows, the real turbulent dissipation time scale is locally proportional to the turbulent characteristic time scale which is determined by a typical eddy turnover time.
Technical Paper

Reduction of NOx Emissions of D. I. Diesel Engines by Application of the Miller-System: An Experimental and Numerical Investigation

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.
Technical Paper

Predictive Phenomenological C.I. Combustion Modeling Optimization on the Basis of Bio-Inspired Algorithms

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).
Journal Article

Predicting In-Cylinder Soot in a Heavy-Duty Diesel Engine for Variations in SOI and TDC Temperature Using the Conditional Moment Closure Model

Numerical simulations of in-cylinder soot evolution in the optically accessible heavy-duty diesel engine of Sandia National Laboratories have been performed with the multidimensional conditional moment closure (CMC) model using a reduced n-heptane chemical mechanism coupled with a two-equation soot model. Simulation results are compared to the high-fidelity experimental data by means of pressure traces, apparent heat release rate (AHRR) and time-resolved in-cylinder soot mass derived from optical soot luminosity and multiple wavelength pyrometry in conjunction with high speed soot cloud imaging. In addition, spatial distributions of soot relevant quantities are given for several operating conditions.
Technical Paper

POMDME as an Alternative Pilot Fuel for Dual-Fuel Engines: Optical Study in a RCEM and Application in an Automotive Size Dual-Fuel Diesel Engine

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.
Technical Paper

Oxygenated Fuels for Particulate Emissions Reduction in Heavy-Duty DI-Diesel Engines with Common-Rail Fuel Injection

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.
Technical Paper

Optimization of an Asynchronous Fuel Injection System in Diesel Engines by Means of a Micro-Genetic Algorithm and an Adaptive Gradient Method

Optimal fuel injection strategies are obtained with a micro-genetic algorithm and an adaptive gradient method for a nonroad, medium-speed DI diesel engine equipped with a multi-orifice, asynchronous fuel injection system. The gradient optimization utilizes a fast-converging backtracking algorithm and an adaptive cost function which is based on the penalty method, where the penalty coefficient is increased after every line search. The micro-genetic algorithm uses parameter combinations of the best two individuals in each generation until a local convergence is achieved, and then generates a random population to continue the global search. The optimizations have been performed for a two pulse fuel injection strategy where the optimization parameters are the injection timings and the nozzle orifice diameters.
Technical Paper

Optimization of Fuel Injection Configurations for the Reduction of Emissions and Fuel Consumption in a Diesel Engine Using a Conjugate Gradient Method

The objective of this study is the development of a computationally efficient CFD-based tool with the capability of finding optimal engine operating conditions with respect to emissions and fuel consumption. The approach taken uses a conjugate gradient method, where the line search is performed with a backtracking algorithm. The initial backtracking step employs an adaptive step size mechanism which depends on the steepness of the search direction. The engine simulations are performed with a KIVA-3-based code which is equipped with well-established spray, combustion and emission models. The cost function is based on the idea of the penalty method and is minimized over the unit cube in n-dimensional space, which represents the set of normalized injection parameters under investigation. The application of this optimization tool is demonstrated for the Sulzer S20, a central-injection, non-road DI diesel engine.
Journal Article

Optical Investigation of Sooting Propensity of n-Dodecane Pilot/Lean-Premixed Methane Dual-Fuel Combustion in a Rapid Compression-Expansion Machine

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.
Journal Article

Numerical Study of the Influence of EGR on In-Cylinder Soot Characteristics in a Heavy-Duty Diesel Engine using CMC

This paper presents numerical simulations of in-cylinder soot evolution in the optically accessible heavy-duty diesel engine of Sandia Laboratories performed with the conditional moment closure (CMC) model employing a reduced n-heptane chemical mechanism coupled with a two-equation soot model. The influence of exhaust gas recirculation (EGR) on in-cylinder processes is studied considering different ambient oxygen volume fractions (8 - 21 percent), while maintaining intake pressure and temperature as well as the injection configuration unchanged. This corresponds to EGR rates between 0 and 65 percent. Simulation results are first compared with experimental data by means of apparent heat release rate (AHRR) and temporally resolved in-cylinder soot mass, where a quantitative comparison is presented. The model was found to fairly well reproduce ignition delays as well as AHRR traces along the EGR variation with a slight underestimation of the diffusion burn portion.
Technical Paper

Numerical Study of Turbulence and Fuel-Air Mixing within a Scavenged Pre-Chamber Using RANS and LES

It is well-known that the spatial distribution of turbulence intensity and fuel concentration at spark-time play a pivotal role on the flame development within the pre-chamber in gas engines equipped with a scavenged pre-chamber. The combustion within the pre-chamber is in turn a determining factor in terms of combustion behaviour in the main chamber, and accordingly it influences the engine efficiency as well as pollutant emissions such as NOx and unburned hydrocarbons. This paper presents a numerical analysis of fuel concentration and turbulence distribution at spark time for an automotive-sized scavenged pre-chamber mounted at the head of a rapid compression-expansion machine (RCEM). Two different pre-chamber orifice orientations are considered: straight and tilted nozzles. The latter introduce a swirling flow within the pre-chamber. Simulations have been carried out using with two different turbulence models: Reynolds-Averaged Navier-Stokes (RANS) and Large-Eddy Simulation (LES).
Technical Paper

Numerical Simulations of Pre-Chamber Combustion in an Optically Accessible RCEM

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.