Publications

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A computational fluid dynamics (CFD) analysis of a natural gas vehicle experiencing a mechanical failure of a pressure relief device on a full CNG cylinder was completed to determine the resulting amount and location of flammable gas. The resulting overpressure if it were to ignite was also calculated. This study completes what is discussed in Ekoto et al. which covers other related leak scenarios. We are not determining whether or not this is a credible release, rather just showing the result of a possible worst case scenario. The Sandia National Laboratories computational tool Netflow was used to calculate the leak velocity and temperature. The in - house CFD code Fuego was used to determine the flow of the leak into the maintenance garage. A maximum flammable mass of 35 kg collected along the roof of the garage. This would result in an overpressure that could do considerable damage if it were to ignite at the time of this maximum volume. It is up to the code committees to decide whet her this would be a credible leak, but if it were, there should be preventions to keep the flammable mass from igniting.

In-cylinder reforming of injected fuel during an auxiliary negative valve overlap (NVO) period can be used to optimize main-cycle combustion phasing for low-load Low-Temperature Gasoline Combustion, where highly dilute mixtures can lead to poor combustion stability. The objective of this work is to examine the effects of reformate composition on main-cycle engine performance for a research gasoline. A custom alternatefire sequence with nine pre-conditioning cycles was used to generate a common exhaust temperature and composition boundary condition for a cycle-of-interest. Performance metrics such as main-period combustion stability and total cycle efficiency were collected for these custom cycles. The NVOproduced reformate stream was also separately collected using a dump valve apparatus and characterized in detail using both gas chromatography and photoionization mass spectroscopy. To facilitate gas sample analysis, sampling experiments were conducted using a five-component gasoline surrogate (isooctane, n-heptane, ethanol, 1-hexene, and toluene) that matched the molecular composition, 50% boiling point, and ignition characteristics of the research gasoline. For the gasoline, it was found that the most advanced NVO start-of-injection (SOI) led to the most advanced main-cycle 10% burn angle. The effect was more pronounced as the fraction of total fuel injected in the NVO period increased. With the most retarded NVO SOI, shorter residence times and piston spray impingement limited the opportunity for injected fuel decomposition. For the gasoline surrogate, the most advanced NVO SOI had reduced reactivity relative to more intermediate NVO SOI, which was attributed to rapid in-cylinder mixing that led to a large amount of fuel quench in the piston crevice. For all NVO periods, combustion phasing advanced as the mainperiod fueling decreased. Slower kinetics for leaner mixtures were offset by a combination of increased bulk-gas temperature from higher charge specific heat ratios and increased fuel reactivity due to higher charge reformate fractions.

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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. Two operating conditions were explored: 1) a fuel lean condition with a short NVO fuel injection and a relatively high amount of excess oxygen in the NVO cycle (7%), and 2) a fuel-rich condition with a longer NVO fuel injection and low amount of NVO-cycle excess oxygen (4%). Samples were collected by a custom dump-valve apparatus from a direct injection, single-cylinder, automotive research engine operating under low-load LTGC and fueled by either isooctane or an 88-octane research certification gasoline. Samples were stored in heated stainless steel cylinders and transported to the Lawrence Berkeley National Laboratory Advanced Light Source for analysis using a Sandia National Laboratories flame sampling apparatus. For all isooctane fueled conditions, NVO cycle sample speciation from the PIMS measurements agreed well with previously reported GC sample measurements if the sum total of all isomer constituents from the PIMS measurements were considered. PIMS data, however, provides richer speciation information that is useful for validation of computational modeling approaches. The PIMS data also revealed that certain species for the GC diagnostic were either misidentified during the calibration process or not identified at all. Examples of unidentified species include several classes of oxygenates (e.g., ketenes, aldehydes, and simple alcohols) and simple aromatics (e.g., benzene and toluene). For the gasoline fueled NVO cycles, performance characteristics were well matched to corresponding isooctane fueled NVO cycles. However, significant PIMS cross-talk from a wide range of gasoline components restricted the sampling analysis to a handful of species. Nonetheless, it was confirmed that for fuel-lean NVO operation there was a comparable increase in acetylene with NVO injection timing retard that is attributed to the prevalence of locally-rich, piston-surface pool fires caused by fuel spray impingement.

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Radiative heat fluxes from small to medium-scale hydrogen jet flames (<10 m) compare favorably to theoretical predictions provided the product species thermal emittance and optical flame thickness are corrected for. However, recent heat flux measurements from two large-scale horizontally orientated hydrogen flames (17.4 and 45.9 m respectively) revealed that current methods underpredicted the flame radiant fraction by 40% or more. Newly developed weighted source flame radiation models have demonstrated substantial improvement in the heat flux predictions, particularly in the near-field, and allow for a sensible way to correct potential ground surface reflective irradiance. These updated methods are still constrained by the fact that the flame is assumed to have a linear trajectory despite buoyancy effects that can result in significant flame deformation. The current paper discusses a method to predict flame centerline trajectories via a one-dimensional flame integral model, which enables optimized placement of source emitters for weighted multi-source heat flux prediction methods. Flame shape prediction from choked releases was evaluated against flame envelope imaging and found to depend heavily on the notional nozzle model formulation used to compute the density weighted effective nozzle diameter. Nonetheless, substantial improvement in the prediction of downstream radiative heat flux values occurred when emitter placement was corrected by the flame integral model, regardless of the notional nozzle model formulation used.

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Sandia National Laboratories has worked with stakeholders and original equipment manufacturers (OEMs) to develop scientific data that can be used to create risk-informed hydrogen codes and standards for the safe operation of indoor hydrogen fuel-cell forklifts. An important issue is the possibility of an accident inside a warehouse or other enclosed space, where a release of hydrogen from the high-pressure gaseous storage tank could occur. For such scenarios, computational fluid dynamics (CFD) simulations have been used to model the release and dispersion of gaseous hydrogen from the vehicle and to study the behavior of the ignitable hydrogen cloud inside the warehouse or enclosure. The overpressure arising as a result of ignition and subsequent deflagration of the hydrogen cloud within the warehouse has been studied for different ignition delay times and ignition locations. Both ventilated and unventilated warehouses have been considered in the analysis. Experiments have been performed in a scaled warehouse test facility and compared with simulations to validate the results of the computational analysis. © 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights.

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Analytic methods used to establish thermal radiation hazard safety boundaries from ignited hydrogen plumes are based on models previously developed for hydrocarbon jet fires. Radiative heat flux measurements of small- and mediumscale hydrogen jet flames (i.e., visible flame lengths < 10 m) compare favorably to theoretical calculations provided corrections are applied to correct for the product species thermal emittance and the optical flame thickness. Recently, Air Products and Chemicals Inc. commissioned flame radiation measurements from two larger-scale hydrogen jet flames to determine the applicability of current modeling approaches to these larger flames. The horizontally orientated releases were from 20.9 and 50.8 mm ID pipes with a nominal 60 barg source pressure and respective mass flow rates of 1.0 and 7.4 kg/s. Care was taken to ensure no particles were entrained into the flame, either from the internal piping or from the ground below. Radiometers were used to measure radiative heat fluxes at discrete points along the jet flame radial axis. The estimated radiant fraction, defined as the radiative energy escaping relative to chemical energy released, exceeded correlation predictions for both flames. To determine why the deviation existed, an analysis of the data and experimental conditions was performed by Sandia National Laboratories' Hydrogen Safety, Codes and Standards program. Since the releases were choked at the exit, a pseudo source nozzle model was needed to compute flame lengths and residence times, and the results were found to be sensitive to the formulation used. Furthermore, it was thought that ground surface reflection from the concrete pad and steel plates may have contributed to the increased recorded heat flux values. To quantify this impact, a weighted multi source flame radiation model was modified toinclude the influence of planar surface radiation. Model results were compared to lab-scale flames with a steel plate located close to and parallel with the release path. Relative to the flame without a plate, recorded heat flux values were found to increase by up to 50% for certain configurations, and the modified radiation model predicted these heat fluxes to within 10% provided a realistic steel reflectance value (0.8) was used. When the plate was heavily and uniformly oxidized, however, the reflectance was sharply attenuated. Model results that used the surface reflectance correction for the larger-scale flames produced good agreement with the heat flux data from the smaller of the two flames if an estimated reflectance of 0.5 was used, but was unable to fully explain the under predicted heat flux values for the larger flame.Copyright © 2012 by ASME.