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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.

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.

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.

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.

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.

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.

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.

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.

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.

Hydrogen-fueled, spark-ignited, homogeneous-charge engines offer an alternative for providing Equivalent Zero Emission Vehicle (EZEV) levels, along with a range and performance comparable to today's automobiles. Hydrogen in a spark-ignited engine can be burned at very low equivalence ratios, so that NOx emissions can be reduced to less than 10 ppm without a catalytic converter or EGR. HC and CO emissions may result from oxidation of engine oil, but by proper design are negligible (a few ppm). Lean operation also results in increased indicated efficiency due to the thermodynamic properties of the gaseous mixture contained in the cylinder and due to reduced heat transfer. The high effective octane number of hydrogen allows the use of a high compression ratio, further increasing engine efficiency. In this paper, a time-dependent engine model is used for predicting hydrogen engine efficiency and emissions.

Lawrence Livermore, Sandia Livermore and Los Alamos National Laboratories have a joint project to develop an optimized hydrogen fueled engine for series hybrid automobiles. The major divisions of responsibility are: system analysis, engine design, and kinetics modeling by LLNL; performance and emission testing, and friction reduction by SNL; computational fluid mechanics and combustion modeling by LANL. This project is a component of the Department of Energy, Office of Utility Technology, National Hydrogen Program. We report here on the progress on system analysis and preliminary engine testing. We have done system studies of series hybrid automobiles that approach the PNGV design goal of 34 km/liter (80 mpg), for 384 km (240 mi) and 608 km (380 mi) ranges. Our results indicate that such a vehicle appears feasible using an optimized hydrogen engine. The impact of various on-board storage options on fuel economy are evaluated.

This paper describes a hybrid vehicle simulation model which can be applied to many of the vehicles currently being considered for low emissions and high fuel economy. The code operates in batch mode with all the vehicle information stored in data files. The code calculates power train dimensions, fuel economy for three driving schedules, time for 0 - 96 km/h at maximum acceleration, hill climbing performance, and emissions. This paper also documents the application of the code to a hybrid vehicle that utilizes a hydrogen internal combustion engine. The simulation model is used for parametric studies of the vehicle. The results show the fuel economy of the vehicle as a function of vehicle mass, aerodynamic drag, engine efficiency, accessory load, and flywheel efficiency. The code also calculates the minimum flywheel energy and power to obtain a desired performance.

To gain insight into the mechanism of turbulent flame propagation, a technique using imaged Rayleigh scattering has been developed to directly measure turbulent flame thickness in an operating engine. Spatial resolution of 0.1mm and time resolution of 0.01 microsecond were achieved by using a multielement detector and a pulsed laser. The use of two laser pulses to simultaneously measure flame thickness and propagation speed was also demonstrated. Mean flame thickness was found to increase gradually from slightly greater than laminar values at very low rpm to two to three times the laminar value at 1800 rpm. The standard deviations of the thickness distributions increased with increasing engine speed. There was also an increasing probability of small “islands” of unburned mixture being found immediately behind the flame front as rpm increased. Variations in fuel and equivalence ratio were found to have a small effect on thickness.

Measurements of temperature and nitrogen density and the fluctuations of these quantities have been made in a combusting engine. The measurements were made by applying pulsed, spontaneous laser Raman spectroscopy. This nonintrusive technique demonstrates one cubic millimeter spatial resolution and essentially instantaneous temporal resolution (10−8 second). Densities were determined by measuring the Stokes vibrational scattering of nitrogen, and the temperatures were determined by measuring the ratio of anti-Stokes to Stokes scattering. The diagnostic technique is described and its accuracy analyzed. Temperatures and densities at two locations, over crank angles covering the compression and expansion strokes, for four equivalence ratios are presented. Typical temperature probability distributions are also presented.