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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.

A multi-zone model has been developed that accurately predicts HCCI combustion and emissions. The multi-zone methodology is based on the observation that turbulence does not play a direct role on HCCI combustion. Instead, chemical kinetics dominates the process, with hotter zones reacting first, and then colder zones reacting in rapid succession. Here, the multi-zone model has been applied to analyze the effect of piston crevice geometry on HCCI combustion and emissions. Three different pistons of varying crevice size were analyzed. Crevice sizes were 0.26, 1.3 and 2.1 mm, while a constant compression ratio was maintained (17:1). The results show that the multi-zone model can predict pressure traces and heat release rates with good accuracy. Combustion efficiency is also predicted with good accuracy for all cases, with a maximum difference of 5% between experimental and numerical results.

This paper discusses the compression ratio influence on maximum load of a Natural Gas HCCI engine. A modified Volvo TD100 truck engine is controlled in a closed-loop fashion by enriching the Natural Gas mixture with Hydrogen. The first section of the paper illustrates and discusses the potential of using hydrogen enrichment of natural gas to control combustion timing. Cylinder pressure is used as the feedback and the 50 percent burn angle is the controlled parameter. Full-cycle simulation is compared to some of the experimental data and then used to enhance some of the experimental observations dealing with ignition timing, thermal boundary conditions, emissions and how they affect engine stability and performance. High load issues common to HCCI are discussed in light of the inherent performance and emissions tradeoff and the disappearance of feasible operating space at high engine loads.

In this paper an online method for automatically reducing complex chemical mechanisms for simulations of combustion phenomena has been developed. The method is based on the Quasi Steady State Assumption (QSSA). In contrast to previous reduction schemes where chemical species are selected only when they are in steady state throughout the whole process, the present method allows for species to be selected at each operating point separately generating an adaptive chemical kinetics. The method is used for calculations of a natural gas fueled engine operating under Homogenous Charge Compression Ignition (HCCI) conditions. We discuss criteria for selecting steady state species and the influence of these criteria on the results such as concentration profiles and temperature.

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.

We present the effect of EGR, at a set fuel flow rate and intake temperature, on the operating parameters of timing of combustion, duration of combustion, power output, thermal efficiency, and NOx emission; which is remarkably low. We find that addition of EGR at constant inlet temperature and constant fuel flow rate has little effect on HCCI parameter of start of combustion (SOC). However, burn duration is highly dependent on the amount of EGR inducted. The experimental setup at UC Berkeley uses a 1.9-liter 4-cylinder diesel engine with a compression ratio of 18.8:1 (offered on a 1995 VW Passat TDI). The engine was converted to run in HCCI mode by addition of an 18kW air pre-heater installed in the intake system. Pressure traces were obtained using four water-cooled quartz pressure transducers, which replaced the Diesel fuel injectors. Gaseous fuel (propane or butane) flowed steadily into the intake manifold.

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.

An experimental and computational study of the near-wall combustion in a Homogeneous Charge Compression Ignition (HCCI) engine has been conducted by applying laser based diagnostic techniques in combination with numerical modeling. Our major intent was to characterize the combustion in the velocity- and thermal boundary layers. The progress of the combustion was studied by using fuel tracer LIF, the result of which was compared with LDA measurements of the velocity boundary layer along with numerical simulations of the reacting boundary layer. Time resolved images of the PLIF signal were taken and ensemble averaged images were calculated. In the fuel tracer LIF experiments, acetone was seeded into the fuel as a tracer. It is clear from the experiments that a proper set of backgrounds and laser profiles are necessary to resolve the near-wall concentration profiles, even at a qualitative level.

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.

A FeCrAlloy mesh-type catalyst has been used to reduce hydrocarbons (HC) and carbon monoxide (CO) emissions from a 4-stroke HCCI engine. Significant for the HCCI engine is a high compression ratio and lean mixtures, which leads to a high efficiency, low combustion temperatures and thereby low NOx emissions, <5 pmm, but also low exhaust temperatures, around 300°C. It becomes critical to: 1. Ensure that the HCCI-combustion generates as low HC emissions as possible, this can be done by very precise control of engine inlet conditions and, if possible, compression ratio. 2. Ensure that the exhaust temperature is high enough, without loosing efficiency or producing NOx; in order to get an oxidizing catalyst to work. 3. Select proper catalyst material for the catalyst so that the exhaust temperature can be as low as possible.

In an attempt to extend the upper load limit for Homogeneous Charge Compression Ignition (HCCI), supercharging in combination with Exhaust Gas Recirculation (EGR) have been applied. Two different boost pressures were used, 1.1 bar and 1.5 bar. High EGR rates were used in order to reduce the combustion rate. The highest obtained IMEP was 16 bar. This was achieved with the higher boost pressure, at close to stoichiometric conditions and with approximately 50 % EGR. Natural gas was used as the main fuel. In the case with the higher boost pressure, iso-octane was used as pilot fuel, to improve the ignition properties of the mixture. This made it possible to use a lower compression ratio and thereby reducing the maximum cylinder pressure. The tests were performed on a single cylinder engine operated at low speed (1000 rpm). The test engine was equipped with a modified cylinder head, having a Variable Compression Ratio (VCR) mechanism.

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.

The potential of a Homogeneous Charge Compression Ignition (HCCI) engine with variable compression ratio has been experimentally investigated. The experiments were carried out in a single cylinder engine, equipped with a modified cylinder head. Altering the position of a secondary piston in the cylinder head enabled a change of the compression ratio. The secondary piston was controlled by a hydraulic system, which was operated from the control room. Dual port injection systems were used, which made it possible to change the ratio of two different fuels with the engine running. By mixing iso-octane with octane number 100 and normal heptane with octane number 0, it was possible to obtain any octane rating between 0 and 100. By using an electrical heater for the inlet air, it was possible to adjust the inlet air temperature to a selected value.

The Homogeneous Charge Compression Ignition (HCCI) is the third alternative for combustion in the Internal Combustion (IC) engines. Here, a homogeneous charge is used as in a spark ignited engine but the charge is compressed to auto-ignition as in a diesel. The characteristics of HCCI were compared to SI using a 1.6 liter single cylinder engine with compression ratio 21:1 in HCCI mode and 12:1 in SI mode. Three different fuels were used; isooctane, ethanol and natural gas. Some remarkable results were noted in the experiments: The indicated efficiency of HCCI was much better than for SI operation. Very little NOx was generated with HCCI, eliminating the need for a LeanNOx catalyst. However, HCCI generated more HC and CO than SI operation. Stable and efficient operation with HCCI could be obtained with λ=3 to λ=9 using isooctane or ethanol. Natural gas, with a higher octane number, required a richer mixture to run in HCCI mode.