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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

Detailed Chemical Kinetic Modeling of Surrogate Fuels for Gasoline and Application to an HCCI Engine

2005-10-24
2005-01-3741
Gasoline consists of many different classes of hydrocarbons, such as paraffins, olefins, aromatics, and cycloalkanes. In this study, a surrogate gasoline reaction mechanism is developed, and it has one representative fuel constituent from each of these classes. These selected constituents are iso-octane, n-heptane, 1-pentene, toluene, and methyl-cyclohexane. The mechanism was developed in a step-wise fashion, adding submechanisms to treat each fuel component. Reactions important for low temperature oxidation (<1000K) and cross-reactions among different fuels are incorporated into the mechanism. The mechanism consists of 1328 species and 5835 reactions. A single-zone engine model is used to evaluate how well the mechanism captures autoignition behavior for conditions corresponding to homogeneous charge compression ignition (HCCI) engine operation.
Technical Paper

A Computer Generated Reduced Iso-Octane Chemical Kinetic Mechanism Applied to Simulation of HCCI Combustion

2002-10-21
2002-01-2870
This paper shows how a computer can systematically remove non-essential chemical reactions from a large chemical kinetic mechanism. The computer removes the reactions based upon a single solution using a detailed mechanism. The resulting reduced chemical mechanism produces similar numerical predictions significantly faster than predictions that use the detailed mechanism. Specifically, a reduced chemical kinetics mechanism for iso-octane has been derived from a detailed mechanism by eliminating unimportant reaction steps and species. The reduced mechanism has been developed for the specific purpose of fast and accurate prediction of ignition timing in an HCCI engine. The reduced mechanism contains 199 species and 383 reactions, while the detailed mechanism contains 859 species and 3606 reactions. Both mechanisms have been used in numerical simulation of HCCI combustion.
Technical Paper

Equivalence Ratio-EGR Control of HCCI Engine Operation and the Potential for Transition to Spark-Ignited Operation

2001-09-24
2001-01-3613
This research investigates a control system for HCCI engines, where equivalence ratio, fraction of EGR and intake pressure are adjusted as needed to obtain satisfactory combustion. HCCI engine operation is analyzed with a detailed chemical kinetics code, HCT (Hydrodynamics, Chemistry and Transport), that has been extensively modified for application to engines. HCT is linked to an optimizer that determines the operating conditions that result in maximum brake thermal efficiency, while meeting the peak cylinder pressure restriction. The results show the values of the operating conditions that yield optimum efficiency as a function of torque and rpm. The engine has high NOx emissions for high power operation, so the possibility of switching to stoichiometric operation for high torque conditions is considered. Stoichiometric operation would allow the use of a three-way catalyst to reduce NOx emissions to acceptable levels.
Technical Paper

A Decoupled Model of Detailed Fluid Mechanics Followed by Detailed Chemical Kinetics for Prediction of Iso-Octane HCCI Combustion

2001-09-24
2001-01-3612
We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. The methodology judiciously uses a fluid mechanics code followed by a chemical kinetics code to achieve great reduction in the computational requirements; to a level that can be handled with current computers. In previous papers, our sequential, multi-zone methodology has been applied to HCCI combustion of short-chain hydrocarbons (natural gas and propane). Applying the same procedure to long-chain hydrocarbons (iso-octane) results in unacceptably long computational time. In this paper, we show how the computational time can be made acceptable by developing a segregated solver. This reduces the run time of a ten-zone problem by an order of magnitude and thus makes it much more practical to make combustion studies of long-chain hydrocarbons.
Technical Paper

Current Research in HCCI Combustion at UC Berkeley and LLNL

2001-08-20
2001-01-2511
This paper describes the Homogeneous charge compression ignition (HCCI) research activities being currently pursued at Lawrence Livermore National Laboratory and at the University of California Berkeley. Current activities include analysis as well as experimental work. HCCI is an old combustion technology that may now be developed with expectations of high efficiency, low NOx, and low particulate matter emissions; in short, an alternative to diesel engines. On analysis, we have developed two powerful tools: a single zone model and a multi-zone model. The single zone model has proven very successful in predicting start of combustion and providing reasonable estimates for peak cylinder pressure, indicated efficiency and NOX emissions. This model is being applied to develop detailed engine performance maps and control strategies, and to analyze the problem of engine startability.
Technical Paper

HCCI Combustion: Analysis and Experiments

2001-05-14
2001-01-2077
Homogeneous charge compression ignition (HCCI) is a new combustion technology that may develop as an alternative to diesel engines with high efficiency and low NOx and particulate matter emissions. This paper describes the HCCI research activities being currently pursued at Lawrence Livermore National Laboratory and at the University of California Berkeley. Current activities include analysis as well as experimental work. On analysis, we have developed two powerful tools: a single zone model and a multi-zone model. The single zone model has proven very successful in predicting start of combustion and providing reasonable estimates for peak cylinder pressure, indicated efficiency and NOx emissions. This model is being applied to develop detailed engine performance maps and control strategies, and to analyze the problem of engine startability. The multi-zone model is capable of very accurate predictions of the combustion process, including HC and CO emissions.
Technical Paper

Operation of a Four-Cylinder 1.9L Propane Fueled Homogeneous Charge Compression Ignition Engine: Basic Operating Characteristics and Cylinder-to-Cylinder Effects

2001-05-07
2001-01-1895
A four-cylinder 1.9 Volkswagen TDI Engine has been converted to run in Homogeneous Charge Compression Ignition (HCCI) mode. The stock configuration is a turbo-charged direct injection Diesel engine. The combustion chamber has been modified by discarding the in-cylinder Diesel fuel injectors and replacing them with blank inserts (which contain pressure transducers). The stock pistons contain a reentrant bowl and have been retained for the tests reported here. The intake and exhaust manifolds have also been retained, but the turbocharger has been removed. A heater has been installed upstream of the intake manifold and fuel is added just downstream of this heater. The performance of this engine in naturally aspirated HCCI operation, subject to variable intake temperature and fuel flow rate, has been studied. The engine has been run with propane fuel at a constant speed of 1800 rpm.
Technical Paper

A Sequential Fluid-Mechanic Chemical-Kinetic Model of Propane HCCI Combustion

2001-03-05
2001-01-1027
We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. This methodology combines a detailed fluid mechanics code with a detailed chemical kinetics code. Instead of directly linking the two codes, which would require an extremely long computational time, the methodology consists of first running the fluid mechanics code to obtain temperature profiles as a function of time. These temperature profiles are then used as input to a multi-zone chemical kinetics code. The advantage of this procedure is that a small number of zones (10) is enough to obtain accurate results. This procedure achieves the benefits of linking the fluid mechanics and the chemical kinetics codes with a great reduction in the computational effort, to a level that can be handled with current computers.
Technical Paper

HCCI Engine Control by Thermal Management

2000-10-16
2000-01-2869
This work investigates a control system for HCCI engines, where thermal energy from exhaust gas recirculation (EGR) and compression work in the supercharger are either recycled or rejected as needed. HCCI engine operation is analyzed with a detailed chemical kinetics code, HCT (Hydrodynamics, Chemistry and Transport), that has been extensively modified for application to engines. HCT is linked to an optimizer that determines the operating conditions that result in maximum brake thermal efficiency, while meeting the restrictions of low NOx and peak cylinder pressure. The results show the values of the operating conditions that yield optimum efficiency as a function of torque and RPM. For zero torque (idle), the optimizer determines operating conditions that result in minimum fuel consumption. The optimizer is also used for determining the maximum torque that can be obtained within the operating restrictions of NOx and peak cylinder pressure.
Technical Paper

A Multi-Zone Model for Prediction of HCCI Combustion and Emissions

2000-03-06
2000-01-0327
Homogeneous Charge Compression Ignition (HCCI) combustion is a process dominated by chemical kinetics of the fuel-air mixture. The hottest part of the mixture ignites first, and compresses the rest of the charge, which then ignites after a short time lag. Crevices and boundary layers generally remain too cold to react, and result in substantial hydrocarbon and carbon monoxide emissions. Turbulence has little effect on HCCI combustion, and may be most important as a factor in determining temperature gradients and boundary layer thickness inside the cylinder. The importance of thermal gradients inside the cylinder makes it necessary to use an integrated fluid mechanics-chemical kinetics code for accurate predictions of HCCI combustion. However, the use of a fluid mechanics code with detailed chemical kinetics is too computationally intensive for today's computers.
Technical Paper

Diesel Combustion: An Integrated View Combining Laser Diagnostics, Chemical Kinetics, And Empirical Validation

1999-03-01
1999-01-0509
This paper proposes a structure for the diesel combustion process based on a combination of previously published and new results. Processes are analyzed with proven chemical kinetic models and validated with data from production-like direct injection diesel engines. The analysis provides new insight into the ignition and particulate formation processes, which combined with laser diagnostics, delineates the two-stage nature of combustion in diesel engines. Data are presented to quantify events occurring during the ignition and initial combustion processes that form soot precursors. A framework is also proposed for understanding the heat release and emission formation processes.
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