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At least 55 records · Page 3

Higher Energy-Content Jet Blending Components Derived from Ethanol (CRADA 467)

This project aims to develop a new sustainable aviation fuel (SAF) that comprises favorable properties, such as high energy density, excellent thermal stability, and favorable cold fold properties. Through catalyst development, this work will provide a route to control the cycloalkane/n-alkane/iso alkane content of a next-generation fuel with minimal or no aromatic content. Combining n-alkane and iso-alkane streams (high specific energy, MJ/kg) with cycloalkanes (higher energy density, MJ/L), is expected to enable at least a 4% net increase in combined (specific (MJ/kg) and volumetric (MJ/L)) energy content without impacting ‘drop-in’ fuel requirements, such as seal swelling. PNNL and LanzaTech have already demonstrated a sustainable, non-petroleum, route to isoalkanes. However, economically attractive cycloalkane production from waste and biomass is challenged by large hydrogen requirements, preferential selectivity to aromatic compounds and low yields to jet fuel range components. Many gaps in understanding cycloalkane properties and performance in complex jet fuel mixtures remain. The close tie and integration of Purdue’s fuel property analysis, with PNNL’s process development, can lead to an economically attractive process. The fuel analysis and testing by Purdue will enable a robust understanding of the properties and behavior of the cycloalkanes produced to inform process development. Additionally, seal-swelling analysis will quantify the ability of fuel blends with zero or minimal aromatics content to satisfy the seal swell requirement of O rings. Lastly, Purdue’s system-level analysis will lead to the development of a roadmap for deployment in key regions that considers system pressures such as hydrogen, water, energy efficiency, and ease of infrastructure access.

10 SYNTHETIC FUELS↗

A Step Towards CO2-Neutral Aviation

An approximation method for evaluation of the caloric equations used in combustion chemistry simulations is described. The method is applied to generate the equations of specific heat, static enthalpy, and Gibb's free energy for fuel mixtures of interest to gas turbine engine manufacturers. Liquid-phase fuel properties are also derived. The fuels investigated include JP-8, synthetic fuel, and two blends of JP-8 and synthetic fuel. The complete set of fuel property equations for both phases are implemented into a computational fluid dynamics (CFD) flow solver database, and multiphase, reacting flow simulations of a well-tested liquid-fueled combustor are performed. The simulations are a first step in understanding combustion system performance and operational issues when using alternate fuels, at practical engine operating conditions.

Brankovic, Andreja↗

Fuel Vapor Pressures and the Relation of Vapor Pressure to the Preparation of Fuel for Combustion in Fuel Injection Engines

This investigation on the vapor pressure of fuels was conducted in connection with the general research on combustion in fuel injection engines. The purpose of the investigation was to study the effects of high temperatures such as exist during the first stages of injection on the vapor pressures of several fuels and certain fuel mixtures, and the relation of these vapor pressures to the preparation of the fuel for combustion in high-speed fuel injection engines.

Joachim, William F↗

An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure

A rapid compression machine (RCM) has been applied to measure the ignition delay times of NH 3 /CH 3 OH mixtures covering pressures of 20 and 40 bar, equivalence ratios of 0.5, 1.0 and 2.0, and temperatures between 845 and 1100 K. Here the measurements show that the NH 3 /CH 3 OH mixtures become more reactive with increasing methanol addition. Addition of merely 1% (molar basis) of CH 3 OH to NH 3 lowers the ignition temperature around 100 K at 40 bar in comparison to pure NH 3 . The ignition delay is a complex function of fuel mixture and stoichiometry. For the 1% CH 3 OH mixture, the leaner mixtures are more reactive, while the reverse trend is found for mixtures with 5%, 20% and pure CH 3 OH. Analysis of the pressure profiles shows three distinct ignition modes for NH 3/ CH 3 OH mixtures, facilitated by the pre-ignition heat release from NH 3 consumption. A detailed mechanism for ignition of NH 3 /CH 3 OH fuel blends has been developed, capable of reproducing the ignition behavior of mixtures with reasonable accuracy. A subset for amine / methanol interactions was established, with rate constants for the key reaction between NH 2 and CH 3 OH calculated from ab initio theory. A sensitivity analysis indicates that the critical reactions during the auto-ignition process vary with the CH 3 OH mole fraction in the fuel. The ammonia chemistry, namely NH 2 + NO, NH2 + NO 2 and NH 2 + HO 2 , is dominant for the mixture with 1% CH 3 OH, while the reactions related to CH 3 OH and H 2 O 2 are more important for the 20% CH 3 OH mixture. The interaction between ammonia and methanol shows a more prominent effect on auto-ignition for mixtures with 5% CH 3 OH in fuel as compared to those with 1% and 20% CH 3 OH. According to the modeling results, methanol addition is found to enrich the O/H radical pool, consuming ammonia and promoting auto-ignition through different reaction pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Amines have lower sooting tendencies than analogous alkanes, alcohols, and ethers

While the sooting tendencies of regular hydrocarbons, oxygenates, and complex fuel mixtures have been well-studied, far less research has been devoted to analyzing the influence of fuel-nitrogen on soot formation. The effect of nitrogen on soot formation becomes relevant for diesel fuels with nitrogen-containing additives, as well as biomass or biomass-derived fuels, which can contain up to 30% nitrogen-containing compounds by dry weight. To begin closing these gaps in the literature, the sooting tendencies of 14 C4 and C6 amines were measured. Sooting tendencies were quantified by re-scaling relative soot concentrations measured in fuel-doped methane flames into Yield Sooting Indices (YSI). The relative soot concentrations were measured with line-of-sight spectral radiance, and validation experiments confirmed that the presence of nitrogen in the test compounds did not interfere with this diagnostic. All of these amines had lower sooting tendencies than the structurally analogous hydrocarbons and oxygenates. The sooting tendencies of amine isomers with the same chemical formula varied significantly. Secondary amines with linear substituents were found to offer the lowest sooting propensity, while primary amines with branched substituents were observed to yield the largest sooting tendencies. In conclusion, the relationship between sooting propensity and chemical structure of the amines hints at the complex nature of soot formation, and highlights an interesting and unexplored area of combustion chemistry for further studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computational and Experimental Study of Energetic Materials in a Counterflow Microgravity Environment

Counterflow diffusion flames are studied for various fuels flowing against decomposition products from solid ammonium perchlorate (AP) pellets in order to obtain fundamental understanding of composite propellant flame structure and chemistry. We illustrate this approach through a combined experimental and numerical study of a fuel mixture consisting of C2H4 CO + H2, and C2H2 + C2H4 flowing against solid AP. For these particular AP-fuel systems, the resulting flame zone simulates the various flame structures that are ex+ to exist between reaction products from Ap crystals and a hydrocarbon binder. As in all our experimental studies, quantitative species and temperature profiles have been measured between the fuel exit and AP surface. Species measured included CN, NH, NO, OH, N2, CO2, CO, H2, CO, HCl, and H2O. Temperature was measured using a thermocouple at the exit, spontaneous Raman scattering measurements throughout the flame, OH rotational population distributions, and NO vibrational population distributions. The burning rate of AP was also measured as a function of strain rate, given by the separation distance between the AP surface and the gaseous hydrocarbon fuel tube exit plane. This distance was nominally set at 5 mm, although studies have been performed for variations in separation distance. The measured 12 scalars are compared with predictions from a detailed gas-phase kinetics model consisting of 86 species and 531 reactions. Model predictions are found to be in good agreement with experiment and illustrate the type of kinetic features that may be expected to occur in propellants when AP particle size distributions are varied. Furthermore, the results constitute the continued development of a necessary database and validation of a comprehensive model for studying more complex AP-solid fuel systems in microgravity. Exploratory studies have also been performed with liquid and solid fuels at normal gravity. Because of melting (and hence dripping) and deep thermal wave penetration into the liquid, these experiments were found feasible, but not used for obtaining quantitative data. Microgravity experiments are needed to eliminate the dripping and boiling phenomena of these systems at normal gravity. Microgravity tests in the NASA Glenn 2.2 second drop tower were performed (1) to demonstrate the feasibility of performing propellant experiments using the NASA Glenn microgravity facilities, (2) to develop the operational procedures for safe handing of the energetic materials and disposal of their toxic combustion by-products and (3) to obtain initial measurements of the AP burning rate and flame structure under microgravity conditions. Experiments were conducted on the CH4/AP system previously studied at normal gravity using a modified design of the counterflow burner and a NASA Glenn Pig Rig, i.e., one of the existing drop rigs for general-purpose usage. In these experiments, the AP burning rate was measured directly with a linear variable differential transducer (LVDT) and video imaging of the flame structure was recorded ignition was achieved by hot wires stretched across the AP surfaces. Initial drop tower combustion data show that with the same burner separation distance and flow conditions of the normal gravity experiments, the AP burning rate is approximately a factor of two lower. This difference is likely a result of radiation effects, but further tests with longer test times need to be conducted to verify that steady state conditions were achieved under microgravity conditions.

Takahashi, Fumiaki↗

A Laboratory Model of a Hydrogen/Oxygen Engine for Combustion and Nozzle Studies

A small laboratory diagnostic thruster was developed to augment present low thrust chemical rocket optical and heat flux diagnostics at the NASA Lewis Research Center. The objective of this work was to evaluate approaches for the use of temperature and pressure sensors for the investigation of low thrust rocket flow fields. The nominal engine thrust was 110 N. Tests were performed at chamber pressures of about 255 kPa, 370 kPa, and 500 kPa with oxidizer to fuel mixture ratios between 4.0 and 8.0. Two gaseous hydrogen/gaseous oxygen injector designs were tested with 60 percent and 75 percent fuel film cooling. The thruster and instrumentation designs were proven to be effective via hot fire testing. The thruster diagnostics provided inner wall temperature and static pressure measurements which were compared to the thruster global performance data. For several operating conditions, the performance data exhibited unexpected trends which were correlated with changes in the axial wall temperature distribution. Azimuthal temperature distributions were found to be a function of operating conditions and hardware configuration. The static pressure profiles showed that no severe pressure gradients were present in the rocket. The results indicated that small differences in injector design can result in dramatically different thruster performance and wall temperature behavior, but that these injector effects may be overshadowed by operating at a high fuel film cooling rate.

Morren, Sybil Huang↗

ELECTRONIC STRUCTURE METHODS AND PROTOCOLS WITH APPLICATION TO DYNAMICS, KINETICS AND THERMOCHEMISTRY

Hydrocarbon combustion involves the reaction dynamics of a tremendous number of species beginning with many-component fuel mixtures and proceeding via a complex system of intermediates to form primary and secondary products. Combustion conditions corresponding to new advanced engines and/or alternative fuels rely increasingly on autoignition and low-temperature-combustion chemistry. In these regimes various transient radical species such as HO2, ROO·, ·QOOH, HCO, NO2, HOCO, and Criegee intermediates play important roles in determining the detailed as well as more general dynamics. A clear understanding and accurate representation of these processes is needed for effective modeling. Given the difficulties associated with making reliable experimental measurements of these systems, computation can play an important role in developing these energy technologies. Accurate calculations have their own challenges since even within the simplest dynamical approximations such as transition state theory, the rates depend exponentially on critical barrier heights and these may be sensitive to the level of quantum chemistry. Moreover, it is well-known that in many cases it is necessary to go beyond statistical theories and consider the dynamics. Quantum tunneling, resonances, radiative transitions, and non-adiabatic effects governed by spin-orbit or derivative coupling can be determining factors in those dynamics. Building upon progress made during a period of prior support through the DOE Early Career Program, this project combines developments in the areas of potential energy surface (PES) fitting and multistate multireference quantum chemistry to allow spectroscopically and dynamically/kinetically accurate investigations of key molecular systems (such as those mentioned above), many of which are radicals with strong multireference character and have the possibility of multiple electronic states contributing to the observed dynamics. An ongoing area of investigation is to develop general strategies for robustly convergent electronic structure theory for global multichannel reactive surfaces including diabatization of energy and other relevant surfaces such as dipole transition. Combining advances in ab initio methods with automated interpolative PES fitting allows the construction of high-quality PESs (incorporating thousands of high-level data) to be done rapidly through parallel processing on high-performance computing (HPC) clusters. In addition, new methods and approaches to electronic structure theory will be developed and tested through applications. This project will explore limitations in traditional multireference calculations (e.g., MRCI) such as those imposed by internal contraction, lack of high-order correlation treatment and poor scaling. Methods such as DMRG-based extended active-space CASSCF and various Quantum Monte Carlo (QMC) methods will be applied (including VMC/DMC and FCIQMC). Insight into the relative significance of different orbital spaces and the robustness of application of these approaches on leadership class computing architectures will be gained. Synergy with other components of this research program such as automated PES fitting and multireference quantum chemistry will be used to address challenges encountered by the standard approaches to computational thermochemistry (those being single-reference quantum chemistry and perturbative treatments of the anharmonic vibrational energy, which break down for some cases of electronic structure or floppy strongly coupled vibrational modes).

74 ATOMIC AND MOLECULAR PHYSICS↗

Transcritical diffuse-interface hydrodynamics of propellants in high-pressure combustors of chemical propulsion systems

Rocket engines and high-power new generations of gas-turbine jet engines and diesel engines oftentimes involve the injection of one or more reactants at subcritical temperatures into combustor environments at high pressures, and more particularly at pressures higher than those corresponding to the critical points of the individual components of the mixture, which typically range from 13 to 50 bars for most propellants. This class of trajectories in the thermodynamic space has been traditionally referred to as transcritical. However, the fundamental understanding of fuel atomization, vaporization, mixing, and combustion processes at such high pressures remains elusive. In particular, whereas fuel sprays are relatively well characterized at normal pressures, analyses of dispersion of fuel in high-pressure combustors are hindered by the limited experimental diagnostics and theoretical formulations available. The description of the thermodynamics of hydrocarbon-fueled mixtures employed in chemical propulsion systems is complex and involves mixing-induced phenomena, including an elevation of the critical point whereby the coexistence region of the mixture extends up to pressures much larger than the critical pressures of the individual components. As a result, interfaces subject to surface-tension forces may persist in multicomponent systems despite the high pressures, and may give rise to unexpected spray-like atomization dynamics that are otherwise absent in monocomponent systems above their critical point. In this article, the current understanding of this phenomenon is reviewed within the context of propulsion systems fueled by heavy hydrocarbons. Emphasis is made on analytical descriptions at mesoscopic scales of interest for computational fluid dynamics. In particular, a set of modifications of the constitutive laws in the Navier–Stokes equations for multicomponent flows, supplemented with a high-pressure equation of state and appropriate redefinitions of the thermodynamic potentials, are introduced in this work based on an extended version of the diffuse-interface theory of van der Waals. The resulting formulation involves revisited forms of the stress tensor and transport fluxes of heat and species, and enables a description of the mesoscopic volumetric effects induced by transcritical interfaces consistently with the thermodynamic phase diagram of the mixture at high pressures. Additionally, applications of the theory are illustrated in canonical problems, including dodecane/nitrogen transcritical interfaces in non-isothermal systems. The results indicate that a transcritical interface is formed between the propellant streams that persists downstream of the injection orifice over distances of the same order as the characteristic thermal-entrance length of the fuel stream. The transcritical interface vanishes at an edge that gives rise to a fully supercritical mixing layer.

02 PETROLEUM↗

Autoignition Delay Time Measurements of Dimethyl Ether at 110 Bar Inside a Shock Tube

Fuel mixtures of propane and dimethyl ether have been proposed as potential diesel substitutes for use in compression-ignition engines. There is an interest in phasing out diesel fuel because its combustion byproducts are harmful to the environment. Propane and dimethyl ether burn cleaner and produce significantly less carbon dioxide than diesel. The combustion of these fuels at engine-relevant conditions must be characterized to create an engine capable of running on propane and dimethyl ether. In this work, IDT measurements of stoichiometric neat DME diluted in 75% argon were completed for temperatures spanning 800-1200K at 110 bar. A shock tube will be used for all experiments in this work. Experimental IDTs were then compared to simulated values using several well-established mechanisms in the literature.

Guenther, Aaron C. [University of Central Florida]↗

Structure of confined laminar spray diffusion flames: Numerical investigation

The structure of confined laminar spray diffusion flames is investigated numerically by solving the gas-phase conservation equations for mass species, continuity, momentum, and energy and the liquid-phase equations for droplet position, velocity, size, and temperature. A one-step global reaction scheme along with six equilibrium reactions are employed to model the flame chemistry. Monodisperse as well as polydisperse sprays are considered. The numerical results demonstrate that liquid spray flames substantially differ from gaseous flames in their structure, i.e., temperature, concentration, and velocity fields, shape, and dimensions under the same conditions. Spray flames are predicted to be taller and narrower than their counterpart gaseous ones and their shapes are almost cylindrical. This is in agreement with experimental observations. The numerical computations also show that the use of the equilibrium reactions with the one-step reaction scheme decreases the flame temperature compared to the one-step reaction scheme without the equilibrium reactions and more importantly increases the surface area of the flame zone due to a phenomenon termed 'equilibrium broadening.' The spray flames also possess a finite thickness with minimal overlap of the fuel and oxygen species. A case for which a fuel-mixture consisting of 20 to 80 percent gas-liquid by mass is introduced into the combustor is also investigated and compared with predictions using only gaseous or liquid fuel.

Mawid, M. A.↗

Fuel Cell/Reformers Technology Development

NASA Glenn Research Center is interested in developing Solid Oxide Fuel Cell for use in aerospace applications. Solid oxide fuel cell requires hydrogen rich feed stream by converting commercial aviation jet fuel in a fuel processing process. The grantee's primary research activities center on designing and constructing a test facility for evaluating injector concepts to provide optimum feeds to fuel processor; collecting and analyzing literature information on fuel processing and desulfurization technologies; establishing industry and academic contacts in related areas; providing technical support to in-house SOFC-based system studies. Fuel processing is a chemical reaction process that requires efficient delivery of reactants to reactor beds for optimum performance, i.e., high conversion efficiency and maximum hydrogen production, and reliable continuous operation. Feed delivery and vaporization quality can be improved by applying NASA's expertise in combustor injector design. A 10 KWe injector rig has been designed, procured, and constructed to provide a tool to employ laser diagnostic capability to evaluate various injector concepts for fuel processing reactor feed delivery application. This injector rig facility is now undergoing mechanical and system check-out with an anticipated actual operation in July 2004. Multiple injector concepts including impinging jet, venturi mixing, discrete jet, will be tested and evaluated with actual fuel mixture compatible with reforming catalyst requirement. Research activities from September 2002 to the closing of this collaborative agreement have been in the following areas: compiling literature information on jet fuel reforming; conducting autothermal reforming catalyst screening; establishing contacts with other government agencies for collaborative research in jet fuel reforming and desulfurization; providing process design basis for the build-up of injector rig facility and individual injector design.

Source record↗

A Burke-Schumann Analysis of Dual-Flame Structure Supported by a Burning Droplet

Droplet combustion experiments carried out onboard the International Space Station (ISS), using pure fuels and fuel mixtures, have shown that quasi-steady burning can be sustained by a non-traditional flame configuration, namely a "cool flame" burning in the "partial-burning" regime where both fuel and oxygen leak through the low-temperature controlled flame-sheet. Recent experiments involving large, bi-component fuel (n-decane and hexanol, 50/50 by volume) droplets at elevated pressures show that the visible, hot flame becomes extremely weak while the burning rate remains relatively high, suggesting the possibility of simultaneous presence of "cool" and "hot" flames of roughly equal importance. The radiant output from these bi-component droplets is relatively high and cannot be accounted for only by the presence of a visible hot-flame. In this analysis we explore the theoretical possibility of a dual-flame structure, where one flame lies close to the droplet surface called the "cool-flame," and other farther away from the droplet surface, termed the "hot-flame." A Burke-Schumann analysis of this dual-structure seems to indicate such flame structures are possible over a narrow range of initial conditions. Theoretical results can be compared against available experimental data for pure and bi-component fuel droplet combustion to test how realistic the model may be.

cool flames↗

Oxidation and formation of deposit precursors in hydrocarbon fuels

A practical fuel, home heating oil no. 2 (Fuel C), and the pure hydrocarbon, n-dodecane, were subjected to mild oxidation at 130 C and the resulting oxygenated reaction products, deposit precursors, were analyzed using field ionization mass spectrometry. Results for fuel C indicated that, as oxidation was initially extended, certain oxygenated reaction products of increasing molecular weights in the form of monomers, dimers and some trimers were produced. Further oxidation time increase resulted in further increase in monomers but a marked decrease in dimers and trimers. This suggests that these larger molecular weight products have proceeded to form deposit and separated from the fuel mixture. Results for a dodecane indicated that yields for dimers and trimers were very low. Dimers were produced as a result of interaction between oxygenated products with each other rather than with another fuel molecule. This occurred even though fuel molecule concentration was 50 times, or more greater than that for these oxygenated reaction products.

Buttrill, S. E., Jr.↗

Alternative Aviation Fuel Experiment (AAFEX)

The rising cost of oil coupled with the need to reduce pollution and dependence on foreign suppliers has spurred great interest and activity in developing alternative aviation fuels. Although a variety of fuels have been produced that have similar properties to standard Jet A, detailed studies are required to ascertain the exact impacts of the fuels on engine operation and exhaust composition. In response to this need, NASA acquired and burned a variety of alternative aviation fuel mixtures in the Dryden Flight Research Center DC-8 to assess changes in the aircraft s CFM-56 engine performance and emission parameters relative to operation with standard JP-8. This Alternative Aviation Fuel Experiment, or AAFEX, was conducted at NASA Dryden s Aircraft Operations Facility (DAOF) in Palmdale, California, from January 19 to February 3, 2009 and specifically sought to establish fuel matrix effects on: 1) engine and exhaust gas temperatures and compressor speeds; 2) engine and auxiliary power unit (APU) gas phase and particle emissions and characteristics; and 3) volatile aerosol formation in aging exhaust plumes

Anderson, B. E.↗

Premixed flame propagation characteristics in a supersonic airstream

Measured values of flame angles are presented to aid the design of premixed combustion chambers and prediction of flame propagation. Flame spread, velocity, and dependence of burning rate on the properties of unburned flow and on turbulence levels are compared with the measured values. The premixed flame angle is found proportional to the amount of heat released, and correlates readily with the fuel mixture ratio through the rate of heat release or rate of water formation. Finite rate combustion affects flame angle mostly at off-stoichiometric conditions. The pilot affects the flame angle if abundant unburnt fuel is present in the pilot hot gases. Viscosity runs several times over the rated level.

Agnone, A. M.↗

Materials Combustion Testing and Combustion Product Sensor Evaluations in FY12

NASA Centers continue to collaborate to characterize the chemical species and smoke particles generated by the combustion of current space-rated non-metallic materials including fluoropolymers. This paper describes the results of tests conducted February through September 2012 to identify optimal chemical markers both for augmenting particle-based fire detection methods and for monitoring the post-fire cleanup phase in human spacecraft. These studies follow up on testing conducted in August 2010 and reported at ICES 2011. The tests were conducted at the NASA White Sands Test Facility in a custom glove box designed for burning fractional gram quantities of materials under varying heating profiles. The 623 L chamber was heavily instrumented to quantify organics (gas chromatography/mass spectrometry), inorganics by water extraction followed by ion chromatography, and select species by various individual commercially-available sensors. Evaluating new technologies for measuring carbon monoxide, hydrogen cyanide, hydrogen fluoride, hydrogen chloride and other species of interest was a key objective of the test. Some of these sensors were located inside the glovebox near the fire source to avoid losses through the sampling lines; the rest were located just outside the glovebox. Instruments for smoke particle characterization included a Tapered Element Oscillating Microbalance Personal Dust Monitor (TEOM PDM) and a TSI Dust Trak DRX to measure particle mass concentration, a TSI PTrak for number concentration and a thermal precipitator for collection of particles for microscopic analysis. Materials studied included Nomex®, M22759 wire insulation, granulated circuit board, polyvinyl chloride (PVC), Polytetrafluoroethylene (PTFE), Kapton®, and mixtures of PTFE and Kapton®. Furnace temperatures ranged from 340o to 640o C, focusing on the smoldering regime. Of particular interest in these tests was confirming burn repeatability and production of acid gases with different fuel mixture compositions, as well as the dependence of aerosol concentrations on temperature.

Smoke↗