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Technical Paper

Styrofoam Precursors as Drop-in Diesel Fuel

2013-09-08
2013-24-0108
Styrene, or ethylbenzene, is mainly used as a monomer for the production of polymers, most notably Styrofoam. In the synthetis of styrene, the feedstock of benzene and ethylene is converted into aromatic oxygenates such as benzaldehyde, 2-phenyl ethanol and acetophenone. Benzaldehyde and phenyl ethanol are low value side streams, while acetophenone is a high value intermediate product. The side streams are now principally rejected from the process and burnt for process heat. Previous in-house research has shown that such aromatic oxygenates are suitable as diesel fuel additives and can in some cases improve the soot-NOx trade-off. In this study acetophenone, benzaldehyde and 2-phenyl ethanol are each added to commercial EN590 diesel at a ratio of 1:9, with the goal to ascertain whether or not the lower value benzaldehyde and 2-phenyl ethanol can perform on par with the higher value acetophenone. These compounds are now used in pure form.
Journal Article

Integration Strategies for Efficient Multizone Chemical Kinetics Models

2010-04-12
2010-01-0576
Three integration strategies are developed and tested for the stiff, ordinary differential equation (ODE) integrators used to solve the fully coupled multizone chemical kinetics model. Two of the strategies tested are found to provide more than an order of magnitude of improvement over the original, basic level of usage for the stiff ODE solver. One of the faster strategies uses a decoupled, or segregated, multizone model to generate an approximate Jacobian. This approach yields a 35-fold reduction in the computational cost for a 20 zone model. Using the same approximate Jacobian as a preconditioner for an iterative Krylov-type linear system solver, the second improved strategy achieves a 75-fold reduction in the computational cost for a 20 zone model. The faster strategies achieve their cost savings with no significant loss of accuracy.
Journal Article

Detailed Kinetic Modeling of HCCI Combustion with Isopentanol

2011-09-11
2011-24-0023
Isopentanol is an advanced biofuel that can be produced by micro-organisms through genetically engineered metabolic pathways. Compared to the more frequently studied ethanol, isopentanol's molecular structure has a longer carbon chain and includes a methyl branch. Its volumetric energy density is over 30% higher than ethanol, and it is less hygroscopic. Some fundamental combustion properties of isopentanol in an HCCI engine have been characterized in a recent study by Yang and Dec (SAE 2010-01-2164). They found that for typical HCCI operating conditions, isopentanol lacks two-stage ignition properties, yet it has a higher HCCI reactivity than gasoline. The amount of intermediate temperature heat release (ITHR) is an important fuel property, and having sufficient ITHR is critical for HCCI operation without knock at high loads using intake-pressure boosting. Isopentanol shows considerable ITHR, and the amount of ITHR increases with boost, similar to gasoline.
Technical Paper

Injection of Fuel at High Pressure Conditions: LES Study

2011-09-11
2011-24-0041
This paper presents a large eddy simulation study of the liquid spray mixing with hot ambient gas in a constant volume vessel under engine-like conditions with the injection pressure of 1500 bar, ambient density 22.8 kg/m₃, ambient temperature of 900 K and an injector nozzle of 0.09 mm. The simulation results are compared with the experiments carried out by Pickett et al., under similar conditions. Under modern direct injection diesel engine conditions, it has been argued that the liquid core region is small and the droplets after atomization are fine so that the process of spray evaporation and mixing with the air is controlled by the heat and mass transfer between the ambient hot gas and central fuel flow. To examine this hypothesis a simple spray breakup model is tested in the present LES simulation. The simulations are performed using an open source compressible flow solver, in OpenFOAM.
Technical Paper

Detailed Chemical Kinetic Modeling of Iso-octane SI-HCCI Transition

2010-04-12
2010-01-1087
We describe a CHEMKIN-based multi-zone model that simulates the expected combustion variations in a single-cylinder engine fueled with iso-octane as the engine transitions from spark-ignited (SI) combustion to homogenous charge compression ignition (HCCI) combustion. The model includes a 63-species reaction mechanism and mass and energy balances for the cylinder and the exhaust flow. For this study we assumed that the SI-to-HCCI transition is implemented by means of increasing the internal exhaust gas recirculation (EGR) at constant engine speed. This transition scenario is consistent with that implemented in previously reported experimental measurements on an experimental engine equipped with variable valve actuation. We find that the model captures many of the important experimental trends, including stable SI combustion at low EGR (~0.10), a transition to highly unstable combustion at intermediate EGR, and finally stable HCCI combustion at very high EGR (~0.75).
Technical Paper

Detailed Kinetic Modeling of Conventional Gasoline at Highly Boosted Conditions and the Associated Intermediate Temperature Heat Release

2012-04-16
2012-01-1109
The combustion behavior of conventional gasoline has been numerically investigated by means of detailed chemical-kinetic modeling simulations, with particular emphasis on analyzing the chemistry of the intermediate temperature heat release (ITHR). Previous experimental work on highly boosted (up to 325 kPa absolute) HCCI combustion of gasoline (SAE 2020-01-1086) showed a steady increase in the charge temperature up to the point of hot ignition, even for conditions where the ignition point was retarded well after top dead center (TDC). Thus, sufficient energy was being released by early pre-ignition reactions resulting in temperature rise during the early part of the expansion stroke This behavior is associated with a slow pre-ignition heat release (ITHR), which is critical to keep the engine from misfiring at the very late combustion phasings required to prevent knock at high-load boosted conditions.
Technical Paper

Acceleration of Detailed Chemical Kinetics Using Multi-zone Modeling for CFD in Internal Combustion Engine Simulations

2012-04-16
2012-01-0135
Detailed chemical kinetics, although preferred due to increased accuracy, can significantly slow down CFD combustion simulations. Chemistry solutions are typically the most computationally costly step in engine simulations. The calculation time can be significantly accelerated using a multi-zone combustion model. The multi-zone model is integrated into the CONVERGE CFD code. At each time-step, the CFD cells are grouped into zones based on the cell temperature and equivalence ratio. The chemistry solver is invoked only on each zone. The zonal temperature and mass fractions are remapped onto the CFD cells, such that the temperature and composition non-uniformities are preserved. Two remapping techniques published in the literature are compared for their relative performance. The accuracy and speed-up of the multi-zone model is improved by using variable bin sizes at different temperature and equivalence ratios.
Technical Paper

Injected Droplet Size Effects on Diesel Spray Results with RANS and LES Turbulence Models

2015-04-14
2015-01-0925
Injection spray dynamics is known to be of great importance when modeling turbulent multi-phase flows in diesel engines. Two key aspects of spray dynamics are liquid breakup and penetration, both of which are affected by the initial sizes of the injected droplets. In the current study, injection of liquid n-heptane is characterized with initial droplet sizes with diameters on the order of 0.10 - 0.25 nozzle diameters. This is done for a Reynolds Averaged Navier-Stokes (RANS) RNG k-ε turbulence model with a minimum grid size of 125 μm and for a Large Eddy Simulations (LES) viscosity turbulence model with a minimum grid size of 62.5 μm. The results of both turbulence models are validated against non-reacting experimental data from the Engine Combustion Network (ECN). The results show that the injected droplet sizes have a significant impact on both liquid and vapor penetration lengths.
Technical Paper

Development of an Experimental Database and Chemical Kinetic Models for Surrogate Gasoline Fuels

2007-04-16
2007-01-0175
The development of surrogate mixtures that represent gasoline combustion behavior is reviewed. Combustion chemistry behavioral targets that a surrogate should accurately reproduce, particularly for emulating homogeneous charge compression ignition (HCCI) operation, are carefully identified. Both short and long term research needs to support development of more robust surrogate fuel compositions are described. Candidate component species are identified and the status of present chemical kinetic models for these components and their interactions are discussed. Recommendations are made for the initial components to be included in gasoline surrogates for near term development. Components that can be added to refine predictions and to include additional behavioral targets are identified as well. Thermodynamic, thermochemical and transport properties that require further investigation are discussed.
Journal Article

Pathline Analysis of Full-cycle Four-stroke HCCI Engine Combustion Using CFD and Multi-Zone Modeling

2008-04-14
2008-01-0048
This paper investigates flow and combustion in a full-cycle simulation of a four-stroke, three-valve HCCI engine by visualizing the flow with pathlines. Pathlines trace massless particles in a transient flow field. In addition to visualization, pathlines are used here to trace the history, or evolution, of flow fields and species. In this study evolution is followed from the intake port through combustion. Pathline analysis follows packets of intake charge in time and space from induction through combustion. The local scalar fields traversed by the individual packets in terms of velocity magnitude, turbulence, species concentration and temperatures are extracted from the simulation results. The results show how the intake event establishes local chemical and thermal environments in-cylinder and how the species respond (chemically react) to the local field.
Technical Paper

Modeling Iso-octane HCCI Using CFD with Multi-Zone Detailed Chemistry; Comparison to Detailed Speciation Data Over a Range of Lean Equivalence Ratios

2008-04-14
2008-01-0047
Multi-zone CFD simulations with detailed kinetics were used to model iso-octane HCCI experiments performed on a single-cylinder research engine. The modeling goals were to validate the method (multi-zone combustion modeling) and the reaction mechanism (LLNL 857 species iso-octane) by comparing model results to detailed exhaust speciation data, which was obtained with gas chromatography. The model is compared to experiments run at 1200 RPM and 1.35 bar boost pressure over an equivalence ratio range from 0.08 to 0.28. Fuel was introduced far upstream to ensure fuel and air homogeneity prior to entering the 13.8:1 compression ratio, shallow-bowl combustion chamber of this 4-stroke engine. The CFD grid incorporated a very detailed representation of the crevices, including the top-land ring crevice and head-gasket crevice. The ring crevice is resolved all the way into the ring pocket volume. The detailed grid was required to capture regions where emission species are formed and retained.
Journal Article

Detailed HCCI Exhaust Speciation and the Sources of Hydrocarbon and Oxygenated Hydrocarbon Emissions

2008-04-14
2008-01-0053
Detailed exhaust speciation measurements were made on an HCCI engine fueled with iso-octane over a range of fueling rates, and over a range of fuel-stratification levels. Fully premixed fueling was used for the fueling sweep. This sweep extended from a fuel/air equivalence ratio (ϕ) of 0.28, which is sufficiently high to achieve a combustion efficiency of 96%, down to a below-idle fueling rate of ϕ = 0.08, with a combustion efficiency of only 55%. The stratification sweep was conducted at an idle fueling rate, using an 8-hole GDI injector to vary stratification from well-mixed conditions for an early start of injection (SOI) (40°CA) to highly stratified conditions for an SOI well up the compression stroke (325°CA, 35°bTDC-compression). The engine speed was 1200 rpm. At each operating condition, exhaust samples were collected and analyzed by GC-FID for the C1 and C2 hydrocarbon (HC) species and by GC-MS for all other species except formaldehyde and acetaldehyde.
Technical Paper

Influence of the Wall Temperature and Combustion Chamber Geometry on the Performance and Emissions of a Mini HCCI Engine Fueled with Diethyl Ether

2008-04-14
2008-01-0008
Nowadays for small-scale power generation there are electrochemical batteries and mini engines. Many efforts have been done for improving the power density of the batteries but unfortunately the value of 1 MJ/kg seems to be asymptotic. If the energy source is an organic fuel which has an energy density of around 29 MJ/kg with a minimum overall efficiency of only 3.5%, this device would surpass the batteries. This paper is the fifth of a series of publications aimed to study the HCCI combustion process in the milli domain at high engine speed in order to design and develop VIMPA, Vibrating Microengine for Low Power Generation and Microsystems Actuation. Previous studies ranged from general characterization of the HCCI combustion process by using metal and optical engines, to more specific topics for instance the influence of the boundary layer and quenching distance on the quality of the combustion.
Journal Article

Understanding the Chemical Effects of Increased Boost Pressure under HCCI Conditions

2008-04-14
2008-01-0019
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

Influence of the Compression Ratio on the Performance and Emissions of a Mini HCCI Engine Fueled Ether with Diethyl

2007-10-29
2007-01-4075
Power supply systems play a very important role in applications of everyday life. Mainly, for low power generation, there are two ways of producing energy: electrochemical batteries and small engines. In the last few years many improvements have been carried out in order to obtain lighter batteries with longer duration but unfortunately the energy density of 1 MJ/kg seems to be an asymptotic value. If the energy source is an organic fuel with an energy density of around 29 MJ/kg and a minimum overall efficiency of only 3.5%, this device can surpass the batteries. Nowadays the most efficient combustion process is HCCI combustion which is able to combine high energy conversion efficiency and low emission levels with a very low fuel consumption. In this paper, an investigation has been carried out concerning the effects of the compression ratio on the performance and emissions of a mini, Vd = 4.11 [cm3], HCCI engine fueled with diethyl ether.
Technical Paper

Improving Ion Current Feedback for HCCI Engine Control

2007-10-29
2007-01-4053
In HCCI you do not have the same control of the combustion like in SI and Diesel engines. Controlling the start of a combustion event is a difficult task and requires feedback from previous cycles. This feedback can be retrieved from ion current measurements. By applying a voltage over the spark gap, ions will lead a current and a signal that represents the combustion in the cylinder will be retrieved. Voltages of 450 V were used. The paper describes a new method to enhance the combustion phasing from the Ion current trace in HCCI engines. The method is using the knowledge of how the signal should look. This is known due to the fact that the shape of the ion current signal is similar from cycle to cycle. This new observation is shown in the paper. Also the correlation between the ion current and CA50 was studied. Later the signals have been used for combustion feedback.
Technical Paper

Mini High Speed HCCI Engine Fueled with Ether: Load Range, Emission Characteristics and Optical Analysis

2007-08-05
2007-01-3606
Power supply systems play a very important role in everyday life applications. There are mainly two ways of producing energy for low power generation: electrochemical batteries and small engines. In the last few years, many improvements have been carried out in order to obtain lighter batteries with longer durations but unfortunately the energy density of 1 MJ/kg seems to be an asymptotic value. An energy source constituted of an organic fuel with an energy density around 29 MJ/kg and a minimum overall efficiency of only 3.5% could surpass batteries. Nowadays, the most efficient combustion process is HCCI combustion which has the ability to combine a high energy conversion efficiency with low emission levels and a very low fuel consumption. The present paper describes an investigation carried out on a modified model airplane engine, on how a pure HCCI combustion behaves in a small volume, Vd = 4.11 cm3, at very high engine speeds (up to 17,500 [rpm]).
Technical Paper

Effects of Toluene Addition to Primary Reference Fuel at High Temperature

2007-10-29
2007-01-4104
The ignition delay times of primary reference fuel (PRF) and toluene mixtures have been measured behind the reflected shock waves. The range of experiments covered combustion of fuel in diluted argon for stoichiometric mixtures, pressures of 2.5 atm, temperatures from 1200-1600 K, 0.4% of fuel concentration. The ignition delay times of n-heptane increased with the addition of toluene. However the ignition delay times of iso-octane decreased with the addition of toluene from 0 to 50% and increased from 50 to 100%. A detailed kinetic model with cross reactions considered in this study can not reproduce the trend of ignition delay times for iso-octane/toluene mixtures. From the reaction path analysis, it was suggested that cross reactions between alkenes and aromatics are required to account for these experimental results.
Technical Paper

Transient Emission Predictions With Quasi Stationary Models

2005-10-24
2005-01-3852
Heavy trucks contribute significantly to the overall air pollution, especially NOx and PM emissions. Models to predict the emissions from heavy trucks in real world on road conditions are therefore of great interest. Most such models are based on data achieved from stationary measurements, i.e. engine maps. This type of “quasi stationary” models could also be of interest in other applications where emission models of low complexity are desired, such as engine control and simulation and control of exhaust aftertreatment systems. In this paper, results from quasi stationary calculations of fuel consumption, CO, HC, NOx and PM emissions are compared with time resolved measurements of the corresponding quantities. Measurement data from three Euro 3-class engines is used. The differences are discussed in terms of the conditions during transients and correction models for quasi stationary calculations are presented. Simply using engine maps without transient correction is not sufficient.
Technical Paper

Multi-Output Control of a Heavy Duty HCCI Engine Using Variable Valve Actuation and Model Predictive Control

2006-04-03
2006-01-0873
Autoignition of a homogeneous mixture is very sensitive to operating conditions, therefore fast control is necessary for reliable operation. There exists several means to control the combustion phasing of an Homogeneous Charge Compression Ignition (HCCI) engine, but most of the presented controlled HCCI result has been performed with single-input single-output controllers. In order to fully operate an HCCI engine several output variables need to be controlled simultaneously, for example, load, combustion phasing, cylinder pressure and emissions. As these output variables have an effect on each other, the controller should be of a structure which includes the cross-couplings between the output variables. A Model Predictive Control (MPC) controller is proposed as a solution to the problem of load-torque control with simultaneous minimization of the fuel consumption and emissions, while satisfying the constraints on cylinder pressure.
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