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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.

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.

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.

This paper describes research and development for reducing the aerodynamic drag of heavy vehicles by demonstrating new approaches for the numerical simulation and analysis of aerodynamic flow. Experimental validation of new computational fluid dynamics methods are also an important part of this approach. Experiments on a model of an integrated tractor-trailer are underway at NASA Ames Research Center and the University of Southern California (USC). Companion computer simulations are being performed by Sandia National Laboratories (SNL), Lawrence Livermore National Laboratory (LLNL), and California Institute of Technology (Caltech) using state-of-the-art techniques.

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.

Autoignition of the five distinct isomers of hexane is studied experimentally under motored engine conditions and computationally using a detailed chemical kinetic reaction mechanism. Computed and experimental results are compared and used to help understand the chemical factors leading to engine knock in spark-ignited engines and the molecular structure factors contributing to octane rating for hydrocarbon fuels. The kinetic model reproduces observed variations in critical compression ratio with fuel structure, and it also provides intermediate and final product species concentrations in much better agreement with observed results than has been possible previously. In addition, the computed results provide insights into the kinetic origins of fuel octane sensitivity.

Many studies have shown that the addition of oxygen-bearing compounds to diesel fuel can significantly reduce particulate emissions. To assist in the evaluation of the environmental performance of diesel-fuel oxygenates, we have implemented a suite of diagnostic models for simulating the transport of compounds released to air, water, and soils/groundwater as well as regional landscapes. As a means of studying the comparative performance of DBM and TGME, we conducted a series of simulations for selected environmental media. Benzene and methyl tertiary butyl ether (MTBE) were also addressed because they represent benchmark fuel-related compounds that have been the subject of extensive environmental measurements and modeling. The simulations showed that DBM and TGME are less mobile than MTBE in soil because of reduced vapor-phase transport and increased retention on soil particles.

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.

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.

Isopentanol is an advanced biofuel that can be produced by micro-organisms through genetically engineered metabolic pathways. Compared to the more frequently studied ethanol, isopentanol's molecular structure has a longer carbon chain and includes a methyl branch. Its volumetric energy density is over 30% higher than ethanol, and it is less hygroscopic. Some fundamental combustion properties of isopentanol in an HCCI engine have been characterized in a recent study by Yang and Dec (SAE 2010-01-2164). They found that for typical HCCI operating conditions, isopentanol lacks two-stage ignition properties, yet it has a higher HCCI reactivity than gasoline. The amount of intermediate temperature heat release (ITHR) is an important fuel property, and having sufficient ITHR is critical for HCCI operation without knock at high loads using intake-pressure boosting. Isopentanol shows considerable ITHR, and the amount of ITHR increases with boost, similar to gasoline.

Now more than ever, the increasing strictness of environmental regulation and the stronger need of higher efficiency standards are pushing for the development of cleaner and energy-efficient powertrains. HCCI engines are suitable candidates to achieve these objectives. Understanding the autoignition process and how it is affected by operating conditions is central to the development of these engines. In addition to experiments, detailed kinetic modeling represents a very effective tool for gaining deeper insight into the fundamentals of HCCI autoignition and combustion. Indeed, modeling activities are today widely used in engine design, allowing a significant reduction in prototype development costs and providing a valuable support to the improvement of control strategies.

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.

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.

Lawrence Livermore National Laboratory (LLNL) has conducted a series of scaled wind tunnel tests to investigate the aerodynamic benefits of heavy vehicle platooning and the availability of cooling air for trailing vehicles on two- and three-vehicle platoons. To measure the aerodynamic drag, scale models are mounted onto a LLNL designed splitter plate by means of a low-friction linear bearing and a load cell located within each model trailer. In addition to drag, pressure measurements are made with a pitot probe positioned at the center of each model radiator grill. Particle Image Velocimetry (PIV) and Infrared Thermography (IRT) measurements are used to map the three-dimensional velocity field and flow structures around the vehicles.

A series of scaled wind tunnel tests are conducted to investigate the aerodynamic benefits of heavy vehicle platooning and the availability of cooling air for trailing vehicles on two- and four-vehicle platoons. To measure the aerodynamic drag, scale models are mounted onto a splitter plate by means of a low-friction linear bearing and a load cell located within each model trailer. In addition to drag, pressure measurements are made with a pitot probe positioned at the center of each model radiator grill. Four homogeneous, two-vehicle platoons are tested for spacings up to 300′ and six heterogeneous, four-vehicle platoons are tested with spacings ranging from 30′ to 50′. For the heterogeneous platoons, configurations are tested with one distinct heavy vehicle or medium duty vehicle, as well as with four distinct heavy vehicles. Over spacings of 15′ to 80′, the best performing homogeneous, two-vehicle platoons are comprised of a Supertruck tractor and straight frame trailer.

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.

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.

Three integration strategies are developed and tested for the stiff, ordinary differential equation (ODE) integrators used to solve the fully coupled multizone chemical kinetics model. Two of the strategies tested are found to provide more than an order of magnitude of improvement over the original, basic level of usage for the stiff ODE solver. One of the faster strategies uses a decoupled, or segregated, multizone model to generate an approximate Jacobian. This approach yields a 35-fold reduction in the computational cost for a 20 zone model. Using the same approximate Jacobian as a preconditioner for an iterative Krylov-type linear system solver, the second improved strategy achieves a 75-fold reduction in the computational cost for a 20 zone model. The faster strategies achieve their cost savings with no significant loss of accuracy.