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Technical Paper

Validation Studies of a Detailed Kinetics Mechanism for Diesel and Gasoline Surrogate Fuels

Surrogate fuels used in simulations need to capture the physical, combustion and emission characteristics of the real diesel and gasoline fuels they represent. This requirement can result in complex surrogate fuels that are blends of components representing several chemical classes, such as normal-, cyclo- and iso-alkanes, alkenes and aromatics. With a palette of around 20 potential surrogate-fuel components we can identify a blend to represent the most important physical and chemical properties of a particular real fuel. However, a detailed chemical kinetics mechanism is required to use such a surrogate in a model of the in-cylinder combustion processes. The detailed mechanism must capture the relevant kinetic pathways for all of the surrogate-fuel components. To this end, we have assembled a large comprehensive kinetic mechanism that includes several thousands of species to represent the combustion behavior of a wide range of surrogate fuels for gasoline and diesel.
Journal Article

Use of Detailed Kinetics and Advanced Chemistry-Solution Techniques in CFD to Investigate Dual-Fuel Engine Concepts

A multi-component fuel model is used to represent gasoline in computational fluid dynamics (CFD) simulations of a dual-fuel engine that combines premixed gasoline injection with diesel direct injection. The simulations employ detailed-kinetics mechanisms for both the gasoline and diesel surrogate fuels, through use of an advanced and efficient chemistry solver. The objective of this work is to elucidate kinetics effects of dual-fuel usage in Reactivity Controlled Compression Ignition (RCCI) combustion. The model is applied to simulate recent experiments on highly efficient RCCI engines. These engine experiments used a dual-fuel RCCI strategy with port-fuel-injection of gasoline and early-cycle, multiple injections of diesel fuel with a conventional diesel injector. The experiments showed that the US 2010 heavy-duty NO and soot emissions regulations were easily met without aftertreatment, while achieving greater than 50% net indicated thermal efficiency.
Journal Article

Understanding the Chemical Effects of Increased Boost Pressure under HCCI Conditions

One way to increase the load range in an HCCI engine is to increase boost pressure. In this modeling study, we investigate the effect of increased boost pressure on the fuel chemistry in an HCCI engine. Computed results of HCCI combustion are compared to experimental results in a HCCI engine. We examine the influence of boost pressure using a number of different detailed chemical kinetic models - representing both pure compounds (methylcyclohexane, cyclohexane, iso-octane and n-heptane) and multi-component models (primary reference fuel model and gasoline surrogate fuel model). We examine how the model predictions are altered by increased fueling, as well as reaction rate variation, and the inclusion of residuals in our calculations. In this study, we probe the low temperature chemistry (LTC) region and examine the chemistry responsible for the low-temperature heat release (LTHR) for wide ranges of intake boost pressure.
Technical Paper

Thermodynamic and Chemical Effects of EGR and Its Constituents on HCCI Autoignition

EGR can be used beneficially to control combustion phasing in HCCI engines. To better understand the function of EGR, this study experimentally investigates the thermodynamic and chemical effects of real EGR, simulated EGR, dry EGR, and individual EGR constituents (N2, CO2, and H2O) on the autoignition processes. This was done for gasoline and various PRF blends. The data show that addition of real EGR retards the autoignition timing for all fuels. However, the amount of retard is dependent on the specific fuel type. This can be explained by identifying and quantifying the various underlying mechanisms, which are: 1) Thermodynamic cooling effect due to increased specific-heat capacity, 2) [O2] reduction effect, 3) Enhancement of autoignition due to the presence of H2O, 4) Enhancement or suppression of autoignition due to the presence of trace species such as unburned or partially-oxidized hydrocarbons.
Technical Paper

The Potential of HCCI Combustion for High Efficiency and Low Emissions

Homogeneous Charge Compression Ignition (HCCI) engines can have efficiencies as high as compression-ignition, direct-injection (CIDI) engines (an advanced version of the commonly known diesel engine), while producing ultra-low emissions of oxides of nitrogen (NOx) and particulate matter (PM). HCCI engines can operate on gasoline, diesel fuel, and most alternative fuels. While HCCI has been demonstrated and known for quite some time, only the recent advent of electronic sensors and controls has made HCCI engines a potential practical reality. This paper provides a comprehensive overview of the current state-of-the-art in HCCI technology, estimates the potential benefits HCCI engines could bring to U.S. transportation vehicles, and lists the R&D barriers that need to be overcome before HCCI engines might be considered for commercial application.
Technical Paper

The Influence of Fuel Volatility on the Liquid-Phase Fuel Penetration in a Heavy-Duty D.I. Diesel Engine

The objective of this investigation is to verify and characterize the influence of fuel volatility on maximum liquid-phase fuel penetration for a variety of actual Diesel fuels under realistic Diesel engine operating conditions. To do so, liquid-phase fuel penetration was measured for a total of eight Diesel fuels using laser elastic-scatter imaging. The experiments were carried out in an optically accessible Diesel engine of the “heavy-duty” size class at a representative medium speed (1200 rpm) operating condition. In addition to liquid-phase fuel penetration, ignition delay was assessed for each fuel based on pressure-derived apparent heat release rate and needle lift data. For all fuels examined, it was observed that initially the liquid fuel penetrates almost linearly with increasing crank angle until reaching a maximum characteristic length. Beyond this characteristic length, the fuel is entirely vapor phase and not just smaller fuel droplets.
Technical Paper

The Effects of Injection Timing and Diluent Addition on Late-Combustion Soot Burnout in a DI Diesel Engine Based on Simultaneous 2-D Imaging of OH and Soot

The effects of injection timing and diluent addition on the late-combustion soot burnout in a direct-injection (DI) diesel engine have been investigated using simultaneous planar imaging of the OH-radical and soot distributions. Measurements were made in an optically accessible DI diesel engine of the heavy-duty size class at a 1680 rpm, high-load operating condition. A dual-laser, dual-camera system was used to obtain the simultaneous “single-shot” images using planar laser-induced fluorescence (PLIF) and planar laser-induced incandescence (PLII) for the OH and soot, respectively. The two laser beams were combined into overlapping laser sheets before being directed into the combustion chamber, and the optical signal was separated into the two cameras by means of an edge filter.
Technical Paper

The Effect of TDC Temperature and Density on the Liquid-Phase Fuel Penetration in a D. I. Diesel Engine*

A parametric study of the liquid-phase fuel penetration of evaporating Diesel fuel jets has been conducted in a direct-injection Diesel engine using laser elastic-scatter imaging. The experiments were conducted in an optically accessible Diesel engine of the “heavy-duty” size class at a representative medium speed (1200 rpm) operating condition. The density and temperature at TDC were varied systematically by adjusting the intake temperature and pressure. At all operating conditions the measurements show that initially the liquid fuel penetrates almost linearly with increasing crank angle until reaching a maximum length. Then, the liquid-fuel penetration length remains fairly constant although fuel injection continues. At a TDC density of 16.6 kg/m3 and a temperature of about 1000 K the maximum penetration length is approximately 23 mm. However, it varies significantly as TDC conditions are changed, with the liquid-length being less at higher temperatures and at higher densities.
Technical Paper

The Effect of Platinum Catalysts on Propane Oxidation at Elevated Pressure

The potential for catalytically enhanced ignition in low-heat rejection Diesel engines has been experimentally studied under engine simulated conditions in a high pressure chemical flow reactor. Results are presented for propane oxidation on platinum at 6 and 10 atmospheres, at temperatures from 800K to 1050K, and at equivalence ratios from 0.5 to 4.0. For turbulent transport rates which are typical of those in an engine, as much as 20% of the fuel was found to react on the catalyst before the onset of the gas-phase ignition reactions. Depending on the adiabaticity of the combustion chamber walls, this could lead to significant thermal enhancement of the gas-phase ignition process. Evidence of chemical enhancement was also observed, at 10 atm under very fuel rich conditions, in terms of a change in the concentration and distribution of the hydrocarbon intermediate species. Possible mechanisms for the observed chemical enhancement due to surface generated species are discussed.
Technical Paper

Spatial Analysis of Emissions Sources for HCCI Combustion at Low Loads Using a Multi-Zone Model

We have conducted a detailed numerical analysis of HCCI engine operation at low loads to investigate the sources of HC and CO emissions and the associated combustion inefficiencies. Engine performance and emissions are evaluated as fueling is reduced from typical HCCI conditions, with an equivalence ratio ϕ = 0.26 to very low loads (ϕ = 0.04). Calculations are conducted using a segregated multi-zone methodology and a detailed chemical kinetic mechanism for iso-octane with 859 chemical species. The computational results agree very well with recent experimental results. Pressure traces, heat release rates, burn duration, combustion efficiency and emissions of hydrocarbon, oxygenated hydrocarbon, and carbon monoxide are generally well predicted for the whole range of equivalence ratios. The computational model also shows where the pollutants originate within the combustion chamber, thereby explaining the changes in the HC and CO emissions as a function of equivalence ratio.
Technical Paper

Soot and Fuel Distributions in a D.I. Diesel Engine via 2-D Imaging

Soot and fuel distributions have been studied in an optically accessible direct-injection diesel engine of the “heavy-duty” size class. Laser-induced incandescence (LII) was used to study the effects of changes in the engine speed on the in-cylinder soot distribution, and elastic (Mie) scattering and laser-induced fluorescence (LIF) were used to examine the fuel distribution. The investigation showed that, in this engine, soot is distributed throughout the cross section of the combusting region of the fuel jet for engine speeds ranging from 600 to 1800 rpm. No indication was found that soot occurs preferentially around the periphery of the plume. The LII images showed that the soot concentration decreases with increasing engine speed and injection pressure, and that the soot distribution extends much further upstream (toward the injector) at the lower engine speeds than at higher speeds.
Technical Paper

Soot Distribution in a D.I. Diesel Engine Using 2-D Laser-Induced Incandescence Imaging

Laser-induced incandescence (LII) has been explored as a diagnostic for qualitative two-dimensional imaging of the in-cylinder soot distribution in a diesel engine. Advantages of LII over elastic-scatter soot imaging techniques include no interfering signals from liquid fuel droplets, easy rejection of laser light scattered by in-cylinder surfaces, and the signal intensity being proportional to the soot volume fraction. LII images were obtained in a 2.3-liter, single cylinder, direct-injection diesel engine, modified for optical access. To minimize laser sheet and signal attenuation (which can affect almost any planar imaging technique applied to diesel engine combustion), a low-sooting fuel was used whose vaporization and combustion characteristics are typical of standard diesel fuels. Temporal and spatial sequences of LII images were made which show the extent of the soot distribution within the optically accessible portion the combusting spray plume.
Technical Paper

Soot Distribution in a D.I. Diesel Engine Using 2-D Imaging of Laser-induced Incandescence, Elastic Scattering, and Flame Luminosity

A combusting plume in an optically accessible direct-injection diesel engine was studied using simultaneous 2-D imaging of laser-induced incandescence (LII) and natural flame luminosity, as well as simultaneous 2-D imaging of LII and elastic scattering. Obtaining images simultaneously via two different techniques makes the effects of cycle-to-cycle variation identical for both images, permitting the details of the simultaneous images to be compared. Since each technique provides unique information about the combusting diesel plume, more can be learned from comparison of the simultaneous images than by any of the techniques alone. Among the insights gained from these measurements are that the combusting plume in this engine has a general pattern of high soot concentration towards the leading edge with a lower soot concentration extending upstream towards the injector. Also, the soot particles are found to be larger towards the leading edge of the plume than in the upstream region.
Technical Paper

Smoothing HCCI Heat-Release Rates Using Partial Fuel Stratification with Two-Stage Ignition Fuels

This work explores the potential of partial fuel stratification to smooth HCCI heat-release rates at high load. A combination of engine experiments and multi-zone chemical-kinetics modeling was used for this. The term “partial” is introduced to emphasize that care is taken to supply fuel to all parts of the in-cylinder charge, which is essential for reaching high power output. It was found that partial fuel stratification offers good potential to achieve a staged combustion event with reduced pressure-rise rates. Therefore, partial fuel stratification has the potential to increase the high-load limits for HCCI/SCCI operation. However, for the technique to be effective the crank-angle phasing of the “hot” ignition has to be sensitive to the local ϕ. Sufficient sensitivity was observed only for fuel blends that exhibit low-temperature heat release (like diesel fuel).
Journal Article

Smoothing HCCI Heat Release with Vaporization-Cooling-Induced Thermal Stratification using Ethanol

Ethanol and ethanol/gasoline blends are being widely considered as alternative fuels for light-duty automotive applications. At the same time, HCCI combustion has the potential to provide high efficiency and ultra-low exhaust emissions. However, the application of HCCI is typically limited to low and moderate loads because of unacceptably high heat-release rates (HRR) at higher fueling rates. This work investigates the potential of lowering the HCCI HRR at high loads by using partial fuel stratification to increase the in-cylinder thermal stratification. This strategy is based on ethanol's high heat of vaporization combined with its true single-stage ignition characteristics. Using partial fuel stratification, the strong fuel-vaporization cooling produces thermal stratification due to variations in the amount of fuel vaporization in different parts of the combustion chamber.
Journal Article

Simulation and Analysis of In-Cylinder Soot Formation in a Low Temperature Combustion Diesel Engine Using a Detailed Reaction Mechanism

3-D Computational Fluid Dynamics (CFD) simulations have been performed using a detailed reaction mechanism to capture the combustion and emissions behavior of an IFP Energies Nouvelles optical diesel engine. Simulation results for in-cylinder soot volume fraction (SVF) have been compared to experimental data reported by Pires da Cruz et al., for the engine operating in low-temperature combustion (LTC) mode with high EGR, and for varied operating conditions. For the simulations, a 4-component surrogate blend containing n-hexadecane, heptamethylnonane, 1-methylnaphthalene, and decalin was used to represents the chemical and physical properties of the standard European diesel used in the engine tests. A validated detailed surrogate mechanism containing 392 species and 2579 reactions was employed to model the chemistry of fuel combustion and emissions.
Technical Paper

Simulation and Analysis of In-Cylinder Soot Formation in a Gasoline Direct-Injection Engine Using a Detailed Reaction Mechanism

3-D Computational Fluid Dynamics (CFD) simulations have been performed using a detailed reaction mechanism to capture the combustion and emissions behavior of an IFP Energies nouvelles optical gasoline direct injection engine. Simulation results for in-cylinder soot volume fraction have been compared to experimental data provided by Pires da Cruz et al. [1] The engine was operated at low-load and tests were performed with parametric variations of the operating conditions including fuel injection timing, inlet temperature, and addition of fuel in the intake port. Full cycle simulations were performed including intake and exhaust ports, valve and piston motion. A Cartesian mesh was generated using automatic mesh generation in the FORTÉ CFD software. For the simulations, a 7-component surrogate blend was used to represent the chemical and physical properties of the European gasoline used in the engine tests.
Technical Paper

Refinement and Validation of the Thermal Stratification Analysis: A post-processing methodology for determining temperature distributions in an experimental HCCI engine

Refinements were made to a post-processing technique, termed the Thermal Stratification Analysis (TSA), that couples the mass fraction burned data to ignition timing predictions from the autoignition integral to calculate an apparent temperature distribution from an experimental HCCI data point. Specifically, the analysis is expanded to include all of the mass in the cylinder by fitting the unburned mass with an exponential function, characteristic of the wall-affected region. The analysis-derived temperature distributions are then validated in two ways. First, the output data from CFD simulations are processed with the Thermal Stratification Analysis and the calculated temperature distributions are compared to the known CFD distributions.
Technical Paper

Quantitative 2-D Fuel Vapor Concentration Imaging in a Firing D.I. Diesel Engine Using Planar Laser-Induced Rayleigh Scattering*

The application of planar laser-induced Rayleigh scattering for quantitative 2-D measurements of vapor-phase fuel concentration in the main combustion zone of a direct-injection Diesel engine has been explored, developed and demonstrated. All studies were conducted in an optically accessible direct-injection Diesel engine of the “heavy-duty” size class at 1200 rpm and motored TDC conditions which were typical of the production version of this engine. First, this study verifies that beyond 27 mm from the injector all the fuel is vapor phase. This was done by investigating the Diesel jet under high magnification using 2-D elastic scatter imaging and subsequently evaluating the signal intensities from the droplets and other interfering particles (Mie scattering) and the vapor (Rayleigh scattering).
Technical Paper

Predicting Emissions Using CFD Simulations of an E30 Gasoline Surrogate in an HCCI Engine with Detailed Chemical Kinetics

To accurately predict emissions as well as combustion phasing in a homogeneous charge compression ignition (HCCI) engine, detailed chemistry needs to be used in Computational Fluid Dynamics (CFD) modeling. In this work, CFD simulations of an Oak Ridge National Laboratory (ORNL) gasoline HCCI engine have been performed with full coupling to detailed chemistry. Engine experiments using an E30 gasoline surrogate blend were performed at ORNL, which included measurements of several trace species in the exhaust gas. CFD modeling using a detailed mechanism for the same fuel composition used in the experiments was also performed. Comparisons between data and model are made over a range of intake temperatures. The (experiment & model) surrogate blend consists of 33 wt % ethanol, 8.7 % n-heptane and 58.3 % iso-octane. The data and simulations involve timing sweeps using intake temperature to control combustion phasing at a constant fuel rate.