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Journal Article

The Underlying Physics and Chemistry behind Fuel Sensitivity

2010-04-12
2010-01-0617
Recent studies have shown that for a given RON, fuels with a higher sensitivity (RON-MON) tend to have better antiknock performance at most knock-limited conditions in modern engines. The underlying chemistry behind fuel sensitivity was therefore investigated to understand why this trend occurs. Chemical kinetic models were used to study fuels of varying sensitivities; in particular their autoignition delay times and chemical intermediates were compared. As is well known, non-sensitive fuels tend to be paraffins, while the higher sensitivity fuels tend to be olefins, aromatics, diolefins, napthenes, and alcohols. A more exact relationship between sensitivity and the fuel's chemical structure was not found to be apparent. High sensitivity fuels can have vastly different chemical structures. The results showed that the autoignition delay time (τ) behaved differently at different temperatures. At temperatures below 775 K and above 900 K, τ has a strong temperature dependence.
Technical Paper

Engine Wear Modeling with Sensitivity to Lubricant Chemistry: A Theoretical Framework

2007-04-16
2007-01-1566
The life of an automotive engine is often limited by the ability of its components to resist wear. Zinc dialkyldithiophosphate (ZDDP) is an engine oil additive that reduces wear in an engine by forming solid antiwear films at points of moving contact. The effects of this additive are fairly well understood, but there is little theory behind the kinetics of antiwear film formation and removal. This lack of dynamic modeling makes it difficult to predict the effects of wear at the design stage for an engine component or a lubricant formulation. The purpose of this discussion is to develop a framework for modeling the formation and evolution of ZDDP antiwear films based on the relevant chemical pathways and physical mechanisms at work.
Technical Paper

Pulmonary Toxicity of Lunar Highland Dust

2009-07-12
2009-01-2379
Lunar dust exposures occurred during the Apollo missions while the crew was in the lunar module on the moon's surface and especially when micro-gravity conditions were attained during rendezvous in lunar orbit. Crews reported that the dust was irritating to the eyes, and in some cases, respiratory symptoms were elicited. NASA's current vision for lunar exploration includes stays of 6 months on the lunar surface hence the health effects of periodic exposure to lunar dust in the habitat need to be assessed. NASA is performing this assessment with a series of in vitro and in vivo tests with authentic lunar dust. Our approach is to “calibrate” the intrinsic toxicity of lunar dust by comparison to a relatively low toxicity dust (TiO2) and a highly toxic dust (quartz) using intrapharyngeal instillation of the dusts to mice. A battery of indices of toxicity is assessed at various time points after the instillations.
Technical Paper

Crash Safety of Lithium-Ion Batteries Towards Development of a Computational Model

2010-04-12
2010-01-1078
Battery packs for Hybrids, Plug-in Hybrids, and Electric Vehicles are assembled from a system of modules (sheets) with a tight sheet metal casing around them. Each module consists of an array of individual cells which vary in the composition of electrodes and separator from one manufacturer to another. In this paper a general procedure is outlined on the development of a constitutive and computational model of a cylindrical cell. Particular emphasis is placed on correct prediction of initiation and propagation of a tearing fracture of the steel can. The computational model correctly predicts rupture of the steel can which could release aggressive chemicals, fumes, or spread the ignited fire to the neighboring cells. The initiation site of skin fracture depends on many factors such as the ductility of the casing material, constitutive behavior of the system of electrodes, and type of loading.
Technical Paper

Mechanical Properties and Durability Study of Aerogel-Base Thermal Insulation for Advanced Space Suit

2003-07-07
2003-01-2446
Fiber-reinforced Aerogel composite insulations provide superior thermal insulation protection in both the low-earth orbit (LEO) and near-earth neighborhood planetary environments. The flexible nature and thermal properties of these materials make them the best insulation candidates for advanced space suit application. This paper reviews the properties of various Aerogel composite materials developed for NASA by Aspen Systems, Inc. Previous studies showed that the Aerogel materials retained acceptable thermal performance after some amount of mechanical cycling. The goal of the current work is to reach a complete understanding of the mechanical properties of these materials in the domain of space suit application. Hence, a good knowledge of the durability of the aerogel composites is needed. This paper presents the extensive testing program needed to determine the life of these insulations for advanced space suit application.
Technical Paper

Lab Study of Urea Deposit Formation and Chemical Transformation Process of Diesel Aftertreatment System

2017-03-28
2017-01-0915
Diesel exhaust fluid, DEF, (32.5 wt.% urea aqueous solution) is widely used as the NH3 source for selective catalytic reduction (SCR) of NOx in diesel aftertreatment systems. The transformation of sprayed liquid phase DEF droplets to gas phase NH3 is a complex physical and chemical process. Briefly, it experiences water vaporization, urea thermolysis/decomposition and hydrolysis. Depending on the DEF doser, decomposition reaction tube (DRT) design and operating conditions, incomplete decomposition of injected urea could lead to solid urea deposit formation in the diesel aftertreatment system. The formed deposits could lead to engine back pressure increase and DeNOx performance deterioration etc. The formed urea deposits could be further transformed to chemically more stable substances upon exposure to hot exhaust gas, therefore it is critical to understand this transformation process.
Technical Paper

Chemical Characterization of U.S. Lab Condensate

2006-07-17
2006-01-2016
Approximately 50% of the water consumed by International Space Station crewmembers is water recovered from cabin humidity condensate. Condensing heat exchangers in the Russian Service Module (SM) and the United States On-Orbit Segment (USOS) are used to control cabin humidity levels. In the SM, humidity condensate flows directly from the heat exchanger to a water recovery system. In the USOS, a metal bellows tank located in the US Laboratory Module (LAB) collects and stores condensate, which is periodically off-loaded in about 20-liter batches to Contingency Water Containers (CWCs). The CWCs can then be transferred to the SM and connected to a Condensate Feed Unit that pumps the condensate from the CWCs into the water recovery system for processing. Samples of the condensate in the tank are collected during the off-loads and returned to Earth for analyses.
Technical Paper

Chemical Kinetic Modeling of the Oxidation of Unburned Hydrocarbons

1992-10-01
922235
The chemistry of unburned hydrocarbon oxidation in SI engine exhaust was modeled as a function of temperature and concentration of unburned gas for lean and rich mixtures. Detailed chemical kinetic mechanisms were used to model isothermal reactions of unburned fuel/air mixture in an environment of burned gases at atmospheric pressure. Simulations were performed using five pure fuels (methane, ethane, propane, n-butane and toluene) for which chemical kinetic mechanisms and steady state hydrocarbon (HC) emissions data were available. A correlation is seen between reaction rates and HC emissions for different fuels. Calculated relative amounts of intermediate oxidation products are shown to be consistent with experimental measurements.
Technical Paper

Auto-Oil Program Phase II Heavy Hydrocarbon Study: Fuel Species Oxidation Chemistry and Its Relationship to the Auto-Oil Data

1994-10-01
941970
The oxidation chemistry of paraffins, aromatics, olefins and MTBE were examined. Detailed chemical kinetics calculations were carried out for oxidation of these compounds in the engine cycle. The oxidation rates are very sensitive to temperature. At temperatures of over 1400 K (depending on the fuel), all the hydrocarbons are essentially oxidized for typical residence time in the engine. Based on the kinetics calculations, a threshold temperature is defined for the conversion of the fuel species to CO, CO2, H2O and partially oxidized products. The difference in the survival fraction between aromatics and non-aromatics is attributed to the higher threshold temperature of the aromatics.
Technical Paper

IGNITION OF FUELS BY RAPID COMPRESSION

1950-01-01
500178
THE autoignition characteristics of several fuels under various conditions of mixture strength, compression ratio, and temperature have been studied by means of a rapid-compression machine. The behaviors of a knock inhibitor, tetraethyl lead, and a knock inducer, ethyl nitrite, have also been studied. Simultaneous records of pressure, volume, and the inflammation have been obtained. These records show the diverse aspects of the autoignition phenomenon and indicate, among other things, according to the authors, that a comparison of the detonating tendencies of fuels must include not only a consideration of the length of the delay period but also an evaluation of the rate of pressure rise during autoignition. Physical interpretations of the data are presented but chemical interpretations have been avoided. The work was exploratory in nature. The authors hope that the results will stimulate activity in this important branch of combustion research.
Technical Paper

Chemical Analysis and Water Recovery Testing of Shuttle-Mir Humidity Condensate

1999-07-12
1999-01-2029
Humidity condensate collected and processed in-flight is an important component of a space station drinking water supply. Water recovery systems in general are designed to handle finite concentrations of specific chemical components. Previous analyses of condensate derived from spacecraft and ground sources showed considerable variation in composition. Consequently, an investigation was conducted to collect condensate on the Shuttle while the vehicle was docked to Mir, and return the condensate to Earth for testing. This scenario emulates an early ISS configuration during a Shuttle docking, because the atmospheres intermix during docking and the condensate composition should reflect that. During the STS-89 and STS-91 flights, a total volume of 50 liters of condensate was collected and returned. Inorganic and organic chemical analyses were performed on aliquots of the fluid.
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