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For next-generation engines that operate using low-temperature gasoline combustion (LTGC) modes, a major issue remains poor combustion stability at low-loads. Negative valve overlap (NVO) enables enhanced main combustion control through modified valve timings to retain combustion residuals along with a small fuel injection that partially reacts during the recompression. While the thermal effects of NVO fueling on main combustion are well understood, the chemical effects of NVO reactions are less certain, especially oxygen-deficient reactions where fuel pyrolysis dominates. To better understand NVO period chemistry details, comprehensive speciation of engine samples collected at the end of the NVO cycle was performed by photoionization mass spectroscopy (PIMS) using synchrotron generated vacuum-ultraviolet light.

Fuel injection into the negative valve overlap (NVO) period is a common method for controlling combustion phasing in homogeneous charge compression ignition (HCCI) and other forms of advanced combustion. When fuel is injected into O2-deficient NVO conditions, a portion of the fuel can be converted to products containing significant levels of H2 and CO. Additionally, other short chain hydrocarbons are produced by means of thermal cracking, water-gas shift, and partial oxidation reactions. The present study experimentally investigates the fuel reforming chemistry that occurs during NVO. To this end, two very different experimental facilities are utilized and their results are compared. One facility is located at Oak Ridge National Laboratory, which uses a custom research engine cycle developed to isolate the NVO event from main combustion, allowing a steady stream of NVO reformate to be exhausted from the engine and chemically analyzed.

Negative valve overlap (NVO) is an operating mode that enables efficient, low-temperature gasoline combustion in automotive engines. In addition to retaining a large fraction of residuals, NVO operation also enables partial fuel injection during the recompression period as a means of enhancing and controlling main combustion. Thermal effects of NVO fueling on main combustion are well understood, but chemical effects of the products of NVO reactions remain uncertain. To address this topic, we have fabricated a dump valve that extracts a large fraction of cylinder charge at intake valve closing (IVC), yielding a representative sample of NVO products mixed with intake air. Sample composition is determined by gas chromatography. Results from a sweep of NVO start-of-injection (SOI) timings show that concentrations of the reactive species acetylene and hydrogen rise to several hundred parts-per-million as NVO SOI is retarded toward top center of NVO.

Prior studies have shown that fuel addition during negative valve overlap (NVO) can both increase temperature and alter composition of the charge carried over to main HCCI combustion. Late NVO fuel injection, i.e., near top dead center, can cause piston wetting and subsequent localized rich flames. Since acetylene is a product of rich combustion and is known to advance ignition, it is hypothesized that the species could play a chemical role in enhancing main combustion. The objective of this work is to quantify the effects of acetylene on HCCI combustion. While the research topic is specifically relevant to NVO-fueled HCCI operation, the experiments are conducted without NVO fueling to avoid uncertainties of NVO reforming reactions. Instead, a single post-NVO injection of iso-octane fuels the cycle, and acetylene is seeded into the intake flow at varying concentrations to simulate a reformed product of NVO.

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).

We have converted a Caterpillar 3406 natural gas spark ignited engine to HCCI mode and used it as a test bed for demonstrating advanced control methodologies. Converting the engine required modification of most engine systems: piston geometry, starting, fueling, boosting, and (most importantly) controls. We implemented a thermal management system consisting of a recuperator that transfers heat from exhaust to intake gases and a dual intake manifold that permits precise cylinder-by-cylinder ignition control. Advanced control methodologies are used for (1) minimizing cylinder-to-cylinder combustion timing differences caused by small variations in temperature or compression ratio; (2) finding the combustion timing that minimizes fuel consumption; and (3) tuning the controller parameters to improve transient response.

Negative valve overlap (NVO) is a valve strategy employed to retain and recompress residual burned gases to assist HCCI combustion, particularly in the difficult regime of low-load operation. NVO allows the retention of large quantities of hot residual burned gases as well as the possibility of fuel addition for combustion control purposes. Reaction of fuel injected during NVO increases charge temperature, but in addition could produce reformed fuel species that may affect main combustion phasing. The strategy holds potential for controlling and extending low-load HCCI combustion. The goal of this work is to demonstrate the feasibility of applying two-wavelength PLIF of 3-pentanone to obtain simultaneous, in-cylinder temperature and composition images during different parts of the HCCI/NVO cycle. Measurements are recorded during the intake and main compression strokes, as well as during the more challenging periods of NVO recompression and re-expansion.

Many experimental efforts to track fuel-air-residual mixture preparation in internal combustion engines have employed laser induced fluorescence (LIF) of tracers. Acetone and 3-pentanone are often chosen as tracers because of their relatively strong LIF signal, weak quenching, and reasonable match to thermo-chemical properties of common fuels such as iso-octane. However, the addition of these tracers to fuel-air mixtures could affect combustion behavior. In this work, we assess these effects to better understand limitations of tracer-based engine measurements. The effects of tracer seeding on combustion phasing, duration, and variation are studied in an HCCI engine using a recompression strategy to accommodate single- and multi-stage-ignition fuels.

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.

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.

The combustion and emission performance of two high-pressure GDI-type injectors are compared in an automotive HCCI engine during low-load, stratified operation. One of these, an 8-hole injector with 70° spray angle, provides significant reduction in NOX emissions at a given fuel-to-CO2 conversion efficiency (i.e., an improved NOX-CO2 trade-off) compared to the other, a 53° swirl injector. In contrast, attempts to enhance the NOX-CO2 trade-off using alternate charge-stratification strategies such as split injection and high intake velocity are shown to be less successful. The 8-hole and swirl injectors are also compared using the optical techniques of Mie scattering (spray visualization), laser-induced fluorescence imaging (fuel distribution measurement), and direct combustion imaging. The resulting data suggest two possible explanations for the superior performance of the 8-hole injector.

To facilitate the growing interest in hydrogen combustion for internal combustion engines, computer models are being developed to simulate gaseous fuel injection, air entrainment and the ensuing combustion. This paper introduces a new method for modeling the injection and air entrainment processes for gaseous fuels. Modeling combustion is not covered in this paper. The injection model uses a gaseous sphere injection methodology, similar to liquid droplet injection techniques used for liquid fuel injection. In this paper, the model concept is introduced and model results are compared with correctly- and under-expanded experimental data.

We have developed an artificial neural network (ANN) based combustion model and have integrated it into a fluid mechanics code (KIVA3V) to produce a new analysis tool (titled KIVA3V-ANN) that can yield accurate HCCI predictions at very low computational cost. The neural network predicts ignition delay as a function of operating parameters (temperature, pressure, equivalence ratio and residual gas fraction). KIVA3V-ANN keeps track of the time history of the ignition delay during the engine cycle to evaluate the ignition integral and predict ignition for each computational cell. After a cell ignites, chemistry becomes active, and a two-step chemical kinetic mechanism predicts composition and heat generation in the ignited cells. KIVA3V-ANN has been validated by comparison with isooctane HCCI experiments in two different engines.

Homogeneous Charge Compression Ignition (HCCI) engines are currently of great interest as a future alternative to Diesel and Spark Ignition engines because of HCCI's potential to achieve high efficiency with very low NOx emissions. However, significant technical barriers remain to practical implementation of HCCI engines: difficult-to-control combustion, low power density, rapid pressure rise, and high hydrocarbon and carbon monoxide emissions. To overcome some of these barriers, operational strategies that involve relaxing the constraint of truly “homogeneous” HCCI combustion have been studied. The phrase “Premixed Charge Compression Ignition” or “PCCI” combustion can be used to describe this class of combustion processes, in which combustion occurs similarly to HCCI engines as a non-mixing controlled, chemical kinetics dominated, auto-ignition process, but the fuel, air, and residual gas mixture need not be homogeneous.

It has previously been shown experimentally and computationally that the process of Homogeneous Charge Compression Ignition (HCCI) is very dependent on the pre-combustion gas temperature field. This study looks in detail at how temperature fields can evolve by comparing results of two combustion chamber designs, a piston with a square bowl and a disk shaped piston, and relates these temperature fields to measured HCCI combustion durations. The contributions of combustion chamber surface area and turbulence levels to the gas temperature evolution are considered over the crank angle range from intake valve closure to top-dead-center. This is a CFD study, whose results were transformed into traditional analysis methods of convective heat transfer (q=h*A*ΔT) and boundary layers.

This paper illustrates the applicability of a sequential fluid mechanics, multi-zone chemical kinetics model to analyze HCCI experimental data for two combustion chamber geometries with different levels of turbulence: a low turbulence disc geometry (flat top piston), and a high turbulence square geometry (piston with a square bowl). The model uses a fluid mechanics code to determine temperature histories in the engine as a function of crank angle. These temperature histories are then fed into a chemical kinetic solver, which determines combustion characteristics for a relatively small number of zones (40). The model makes the assumption that there is no direct linking between turbulence and combustion. The multi-zone model yields good results for both the disc and the square geometries. The model makes good predictions of pressure traces and heat release rates.

We have developed a model of the diesel fuel injection process for application to analysis of low temperature non-sooting combustion. The model uses a simplified mixing correlation and detailed chemical kinetics to analyze a parcel of fuel as it moves along the fuel jet, from injection to evaporation and ignition. The model predicts chemical composition and soot precursors, and is applied at conditions that result in low temperature non-sooting combustion. Production of soot precursors is the first step toward production of soot, and modeling precursor production is expected to give insight into the overall evolution of soot inside the engine. The results of the analysis show that the model has been successful in describing many of the observed characteristics of low temperature combustion.

We have developed a methodology for analysis of Premixed Charge Compression Ignition (PCCI) engines that applies to conditions in which there is some stratification in the air-fuel distribution inside the cylinder at the time of combustion. The analysis methodology consists of two stages: first, a fluid mechanics code is used to determine temperature and equivalence ratio distributions as a function of crank angle, assuming motored conditions. The distribution information is then used for grouping the mass in the cylinder into a two-dimensional (temperature-equivalence ratio) array of zones. The zone information is then handed on to a detailed chemical kinetics model that calculates combustion, emissions and engine efficiency information. The methodology applies to situations where chemistry and fluid mechanics are weakly linked.

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.

This paper shows a numerical evaluation of fuels and additives for HCCI combustion. First, a long list of candidate HCCI fuels is selected. For all the fuels in the list, operating conditions (compression ratio, equivalence ratio and intake temperature) are determined that result in optimum performance under typical operation for a heavy-duty engine. Fuels are also characterized by presenting Log(p)-Log(T) maps for multiple fuels under HCCI conditions. Log(p)-Log(T) maps illustrate important processes during HCCI engine operation, including compression, low temperature heat release and ignition. Log(p)-Log(T) diagrams can be used for visualizing these processes. The paper also includes a ranking of many potential additives. Experiments and analyses have indicated that small amounts (a few parts per million) of secondary fuels (additives) may considerably affect HCCI combustion and may play a significant role in controlling HCCI combustion.