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Nitric Oxide (NO) can significantly influence the autoignition reactivity and this can affect knock limits in conventional stoichiometric SI engines. Previous studies also revealed that the role of NO changes with fuel type. Fuels with high RON (Research Octane Number) and high Octane Sensitivity (S = RON - MON (Motor Octane Number)) exhibited monotonically retarding knock-limited combustion phasing (KL-CA50) with increasing NO. In contrast, for a high-RON, low-S fuel, the addition of NO initially resulted in a strongly retarded KL-CA50 but beyond the certain amount of NO, KL-CA50 advanced again. The current study focuses on same high-RON, low-S Alkylate fuel to better understand the mechanisms responsible for the reversal in the effect of NO on KL-CA50 beyond a certain amount of NO.

Previous studies have shown that fuels with higher laminar flame speed also have increased tolerance to EGR dilution. In this work, the effects of fuel laminar flame speed on both lean and EGR dilute spark ignition combustion stability were examined. Fuels blends of pure components (iso-octane, n-heptane, toluene, ethanol, and methanol) were derived at two levels of laminar flame speed. Each fuel blend was tested in a single-cylinder spark-ignition engine under both lean-out and EGR dilution sweeps until the coefficient of variance of indicated mean effective pressure increased above thresholds of 3% and 5%. The relative importance of fuel laminar flame speed to changes to engine design parameters (spark ignition energy, tumble ratio, and port vs. direct injection) was also assessed.

In this paper, a framework for estimating experimental measurement uncertainties for a Homogenous Charge Compression Ignition (HCCI)/Low-Temperature Gasoline Combustion (LTGC) engine testing facility is presented. Detailed uncertainty quantification is first carried out for the measurement of the in-cylinder pressure, whose variations during the cycle provide most of the information for performance evaluation. Standard uncertainties of other measured quantities, such as the engine geometry and speed, the air and fuel flow rate and the intake/exhaust dry molar fractions are also estimated. Propagating those uncertainties using a Monte Carlo simulation and Bayesian inference methods then allows for estimation of uncertainties of the mass-average temperature and composition at IVC and throughout the cycle; and also of the engine performances such as gross Integrated Mean Effective Pressure, Heat Release and Ringing Intensity.

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.

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.

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).

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.

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.

Homogenous Charge Compression Ignition (HCCI) is a new engine technology with fundamental differences over conventional engines. HCCI engines are intrinsically fuel flexible and can run on low-grade fuels as long as the fuel can be heated to the point of ignition. In particular, HCCI engines can run on “wet ethanol:” ethanol-in-water mixtures with high concentration of water, such as the high water content ethanol-in-water mixture that results from fermentation of corn mash. Considering that much of the energy required for processing fermented ethanol is spent in distillation and dehydration, direct use of wet ethanol in HCCI engines considerably shifts the energy balance in favor of ethanol.

The ignition delay times of toluene-oxygen-argon mixtures with fuel equivalence ratios from 0.5 to 1.5 and concentrations of toluene from 0.1 to 2.0% were measured behind reflected shock waves for temperatures 1270 to 1755 K and at a pressure of 2.4 ± 0.7 atm. A detailed chemical kinetic model has been developed on the basis of a kinetic mechanism proposed by Pitz et al. [1] to reproduce our experimental results as well as some literature data obtained in other shock tubes at pressures from 1.1 to 50 atm. It is found that the present chemical kinetic model could give better agreement on the pressure dependence of the ignition delay times than the previously proposed kinetic models.

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.

Computational simulations of the Modified Ground Transportation System1 (M-GTS), a 1/14th-scale simplified tractor-trailer geometry, are performed at both laboratory and full-scale Reynolds numbers using the NASA overset grid code OVERFLOW2. Steady Reynolds' Averaged Navier-Stokes (RANS) simulations are conducted to deepen the understanding of tractor-trailer gap flow structure, and to ascertain the time-averaged efficacy of tractor cab extenders and trailer-face splitter plates in reducing aerodynamic drag in typical crosswinds. Results of lab-scale simulations compare favorably to body force and particle image velocimetry (PIV) data obtained from University of Southern California (USC) experiments for two tractor-trailer gap lengths. Full-scale simulations highlight model geometry limitations and allude to the use of splitter plates in place of, or in conjunction with, tractor cab extenders.

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.

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 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.

Experimental tests were conducted on a Cummins B5.9 direct-injected diesel engine fueled with biodiesel blends. 20% and 50% blend levels were tested, as was 100% (neat) biodiesel. Emissions of particulate matter (PM), nitrogen oxides (NOx), hydrocarbons (HC) and CO were measured under steady-state operating conditions. The effect of biodiesel on total PM emissions was mixed; however, the contribution of the volatile organic fraction to total PM was greater for higher biodiesel blend levels. When only non-volatile PM mass was considered, reductions were observed for the biodiesel blends as well as for neat biodiesel. The biodiesel test fuels increased NOx, while HC and CO emissions were reduced. PM collected on quartz filters during the experimental runs were analyzed for carbon-14 content using accelerator mass spectrometry (AMS).

This research investigates how the handling of mixing and heat transfer in a multi-zone kinetic solver affects the prediction of carbon monoxide and hydrocarbon emissions for simulations of HCCI engine combustion. A detailed kinetics multi-zone model is now more closely coordinated with the KIVA3V computational fluid dynamics code for simulation of the compression and expansion processes. The fluid mechanics is solved with high spatial and temporal resolution (40,000 cells). The chemistry is simulated with high temporal resolution, but low spatial resolution (20 computational zones). This paper presents comparison of simulation results using this enhanced multi-zone model to experimental data from an isooctane HCCI engine.

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.