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DOE OSTI2023

Poly(oxymethylene) Ethers as a High Cetane, Low Sooting Biofuel Blendstock for Use in Medium to Heavy Duty Mixing Controlled Compression Ignition Engines

Compression ignition (CI) engines are currently the most common prime mover for medium and heavy duty vehicles; these engines contribute roughly a quarter of US greenhouse gas emissions from transportation, and even higher percentages of particulate and nitrogen oxide emissions. As a result, there have been significant efforts made to reduce these emissions, particularly through selection of low-emissions alternative fuels. Oxymethylene ethers (OMEs) are a class of molecule, typically structured R-O-(CH2O)n-R', which have been considered as a possible blendstock in CI fuels for the goal of soot reduction. Generally, past work has focused on methyl-terminated OMEs, CH3-O-(CH2O)n-CH3, which by virtue of containing no C--C bonds, produce negligible soot. These molecules show significant reductions in soot emission from engines when blended in moderate to high ratios with traditional diesels, however, they have been shown to have inferior physical properties and poor compatibility with some legacy systems. Recent theoretical work has shown that OMEs with non-methyl alkyl groups may have superior performance, albeit at the cost of increased soot formation. In this work, a variety of OMEs with terminating alkyl groups from methyl to butyl are considered for their suitability as CI fuels. The synthesis of these extended OMEs is studied, including formation of n=1 OMEs from common chemical sources, and extension of the chain length to heavier molecules, via reactions over acidic ion exchange resins. Following the synthesis, the properties of these OMEs are studied with respect to their engine applicability. It is found that heavier (propyl- and butyl-terminated) OMEs have superior properties for diesel compatibility, particularly in reactivity, volatility, and water solubility. Extended-alkyl OMEs are found to have higher soot production than methyl-terminated OMEs, but remain superior to diesel soot production on a per-unit-energy basis. A sample of a butyl-terminated OME mixture, n=2-4, is selected as the ideal OME blend for close compatibility with legacy diesel systems. This mixture is blended with certified diesel and tested for ASTM D975 compatibility, passing all required tests but lubricity; decreased heat of combustion is observed but not governed by the diesel standard. Fundamental combustion tests of various mid-weight OMEs are performed in a rapid compression machine, where it is shown that low-temperature chemistry causes a region of decreased dependence of ignition delay on temperature, consistent with methyl-terminated OME behavior. An isopropyl-terminated OME is observed to have low reactivity compared to other OMEs; this fuel is investigated via further rapid compression machine testing and CFR engine testing. It is found that this OME has strong negative-temperature-coefficient ignition behavior - a first for OMEs - and has reactivity lower than other OMEs, but insufficient for direct spark ignition engine testing.

09 BIOMASS FUELS↗

NASA NTRS2007

Hypersonic Magneto-Fluid-Dynamic Compression in Cylindrical Inlet

Hypersonic magneto-fluid-dynamic interaction has been successfully performed as a virtual leading-edge strake and a virtual cowl of a cylindrical inlet. In a side-by-side experimental and computational study, the magnitude of the induced compression was found to be depended on configuration and electrode placement. To better understand the interacting phenomenon the present investigation is focused on a direct current discharge at the leading edge of a cylindrical inlet for which validating experimental data is available. The present computational result is obtained by solving the magneto-fluid-dynamics equations at the low magnetic Reynolds number limit and using a nonequilibrium weakly ionized gas model based on the drift-diffusion theory. The numerical simulation provides a detailed description of the intriguing physics. After validation with experimental measurements, the computed results further quantify the effectiveness of a magnet-fluid-dynamic compression for a hypersonic cylindrical inlet. At a minuscule power input to a direct current surface discharge of 8.14 watts per square centimeter of electrode area produces an additional compression of 6.7 percent for a constant cross-section cylindrical inlet.

Shang, Joseph S.↗

DOE OSTI2026

Refinement and demonstration of a coupled BISON-Griffin workflow for designing targeted TRISO transient experiments in TREAT

The U.S. nuclear industry is expected to deploy tristructural isotropic (TRISO) particle fuel technologies for commercial reactors within the next decade. In previous work, we defined a preliminary transient design space for TRISO fuels, identified potential gaps in the available data, and began to develop multiphysics modeling tools that could be applied to design targeted Transient Reactor Test Facility (TREAT) experiments to fill these gaps. Here, this work builds on that foundation by (1) updating BISON fuel performance and Griffin reactor physics models to reflect the current TREAT experiment tube and capsule designs, (2) coupling the codes to improve the accuracy and usability of the transient design analyses, and (3) demonstrating their use over an expanded design space that includes fuel burnup. The simulated mechanical responses of the TRISO particles were complex functions of fission product accumulation, fission gas release, and irradiation-induced dimensional change in the pyrolytic carbon layers. The predicted tangential stresses in the particles' silicon carbide layers were least compressive for preheated tests involving fresh fuels but remained compressive throughout the ranges of temperature, heat rate, and burnup considered in this work. Finally, comparisons between the potential TREAT transients and historical test reactor irradiations showed that the TREAT tests would produce significantly lower average energy deposition rates, yielding less severe transients with greater relevance to near-term commercial applications. The use of these predictive capabilities has the potential to increase the value of each test, improving the overall efficiency and cost-effectiveness of transient testing for TRISO and other advanced fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Development of a Physics-Based Combustion Model for Engine Knock Prediction

The objective of this project is to improve the prediction of engine knock by developing a new combustion modeling framework. Engine knock is a limiting factor to constrain the increase of fuel efficiency for spark ignition (SI) engines in most passenger cars. Efforts to increase fuel efficiency, increasing the compression ratio or downsizing, lead to the increase in the tendency of the knock occurrence. The knock is an undesired ignition of the end-gas, unburned fuel/air mixture ahead of the spark-ignited premixed flame, resulting in rapid in-cylinder pressure rises and engine damages. The combustion modeling framework developed in this project can consider turbulence-chemistry interactions during end-gas ignition, while using a reasonably detailed chemical mechanism developed for ignition and combustion reactions under engine relevant conditions, and the subtle characteristics of spark-ignited flame propagation. It is developed in the context of large eddy simulation (LES), which can capture stochastic in-cylinder processes. The developed model is incorporated into a commercial software for engine simulation, CONVERGE CFD, as a user defined function, and validated. Engine knock and knock-free experiments as well as direct numerical simulation (DNS) of end-gas ignition in homogeneous turbulence are performed to help model development and provide data sets for model validation. With further validation, the developed model is expected to advance the predictive capability for engine knock simulations and thus contribute to improving the fuel efficiency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1981

Pulse switching for high energy lasers

A saturable inductor switch for compressing the width and sharpening the rise time of high voltage pulses from a relatively slow rise time, high voltage generator to an electric discharge gas laser (EDGL) also provides a capability for efficient energy transfer from a high impedance primary source to an intermediate low impedance laser discharge network. The switch is positioned with respect to a capacitive storage device, such as a coaxial cable, so that when a charge build-up in the storage device reaches a predetermined level, saturation of the switch inductor releases or switches energy stored in the capactive storage device to the EDGL. Cascaded saturable inductor switches for providing output pulses having rise times of less than ten nanoseconds and a technique for magnetically biasing the saturable inductor switch are disclosed.

Laudenslager, J. B.↗

NASA NTRS1986

Oxygen recombination in individual pressure vessel nickel-hydrogen batteries

A metal-hydrogen cell is described which avoids damage and retards flooding of the hydrogen electrodes by providing for chemical recombination of oxygen and hydrogen in areas or sites remote from the hydrogen electrodes. In the metal-hydrogen cell, a plurality of electrical cell units are place in a back to back relationship. The cells may be lined with a wick, having one or more catalyzed sites on the inner surface of the cell. Separators disposed between the respective metal and hydrogen electrodes of each cell unit are provided with gas directing notches around their peripheries to facilitate the desired movement of gasses within the metal-hydrogen cell. Any two metal electrodes separated by a gas screen are provided with gas tight sealing means between the electrodes at each aperature. The sealing means may be a fing of rubber or elastomeric material which is somewhat compressible but nonreactive with other materials in the cell.

Smithrick, J. J.↗

NASA NTRS1992

Numerical simulation of transient hypervelocity flow in an expansion tube

Several numerical simulations of the transient flow of helium in an expansion tube are presented. The aim of the exercise is to provide further information on the operational problems of the NASA Langley expansion tube. The calculations were performed with an axisymmetric Navier-Stokes code based on a finite-volume formulation and upwinding techniques. Although laminar flow and ideal bursting of the diaphragms was assumed, the simulations showed some of the important features seen in the experiments. In particular, the discontinuity in the tube diameter at the primary diaphragm station introduced a transverse perturbation to the expanding driver gas, and this perturbation was seen to propagate into the test gas under some flow conditions. The disturbances seen in the test flow can be characterized as either 'small-amplitude' noise possibly introduced during shock compression or 'large-amplitude' noise associated with the passage of the reflected head of the unsteady expansion.

Jacobs, P. A.↗

DOE OSTI2020

Development of a Physics-Based Combustion Model for Engine Knock Prediction

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2007

A Start Toward Micronucleus-Based Decompression Models; Altitude Decompression

Do gaseous micronuclei trigger the formation of bubbles in decompression sickness (DCS)? Most previous instructions for DCS prevention have been oriented toward supersaturated gas in tissue. We are developing a mathematical model that is oriented toward the expected behavior of micronuclei. The issue is simplified in altitude decompressions because the aviator or astronaut is exposed only to decompression, whereas in diving there is a compression before the decompression. The model deals with four variables: duration of breathing of 100% oxygen before going to altitude (O2 prebreathing), altitude of the exposure, exposure duration, and rate of ascent. Assumptions: a) there is a population of micronuclei of various sizes having a range of characteristics, b) micronuclei are stable until they grow to a certain critical nucleation radius, c) it takes time for gas to diffuse in or out of micronuclei, and d) all other variables being equal, growth of micronuclei upon decompression is more rapid at high altitude because of the rarified gas in the micronuclei. To estimate parameters, we use a dataset of 4,756 men in altitude chambers exposed to various combinations of the model s variables. The model predicts occurrence of DCS symptoms quite well. It is notable that both the altitude chamber data and the model show little effect of O2 prebreathing until it lasts more than 60 minutes; this is in contrast to a conventional idea that the benefit of prebreathing is directly due to exponential washout of tissue nitrogen. The delay in response to O2 prebreathing can be interpreted as time required for outward diffusion of nitrogen; when the micronuclei become small enough, they are disabled, either by crushing or because they cannot expand to a critical nucleation size when the subject ascends to altitude.

Van Liew, H. D.↗

DOE OSTI2025

Fabrication of surrogate oxide spent fuel with various cracking patterns and design of an axial gas transport apparatus

In this article, understanding gas transport behavior in nuclear fuel rods is important for the design, performance, and safety of nuclear fuels. Surrogate materials help enable efficient research by reducing both the costs and the amount of time required. A parametric study using Darcy’s law is completed that demonstrates the feasibility of observing pressure decay over short 13-to-15-cm specimens to enable full characterization of the fabricated specimens using x-ray computed tomography. This paper demonstrates that thermally shocked and mechanically compressed alumina pellets produce surrogate samples whose various cracking patterns are representative of the severity of cracking observed as a function of burnup in irradiated nuclear fuels. Furthermore, image analyses of the cracking patterns—in conjunction with gas transport testing using surrogate samples—affords a valuable accelerated basis for developing gas transport simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2008

A Modification and Analysis of Lagrangian Trajectory Modeling and Granular Dynamics of Lunar Dust Particles

A previously developed mathematical model is amended to more accurately incorporate the effects of lift and drag on single dust particles in order to predict their behavior in the wake of high velocity gas flow. The model utilizes output from a CFD or DSMC simulation of exhaust from a rocket nozzle hot gas jet. An extension of the Saffman equation for lift based on the research of McLaughlin (1991) and Mei (1992) is used, while an equation for the Magnus force modeled after the work of Oesterle (1994) and Tsuji et al (1985) is applied. A relationship for drag utilizing a particle shape factor (phi = 0.8) is taken from the work of Haider and Levenspiel (1989) for application to non-spherical particle dynamics. The drag equation is further adjusted to account for rarefaction and compressibility effects in rarefied and high Mach number flows according to the work of Davies (1945) and Loth (2007) respectively. Simulations using a more accurate model with the correction factor (Epsilon = 0.8 in a 20% particle concentration gas flow) given by Richardson and Zaki (1954) and Rowe (1961) show that particles have lower ejection angles than those that were previously calculated. This is more prevalent in smaller particles, which are shown through velocity and trajectory comparison to be more influenced by the flow of the surrounding gas. It is shown that particles are more affected by minor changes to drag forces than larger adjustments to lift forces, demanding a closer analysis of the shape and behavior of lunar dust particles and the composition of the surrounding gas flow.

Long, Jason M.↗

NASA NTRS1969

High pressure real gas effects for helium and nitrogen

Critical flow factor is calculated that permits the isentropic mass-flow rate of the gases through critical flow nozzles to be calculated from plenum conditions. Results include nozzle throat velocity, compressibility factor, entropy, enthalpy, specific heat, and ratios of throat to plenum pressure, density, and temperature.

Johnson, R. C.↗

NASA NTRS1938

Interrelation of exhaust-gas constituents

This report presents the results of an investigation conducted to determine the interrelation of the constituents of the exhaust gases of internal-combustion engines and the effect of engine performance on these relations. Six single-cylinder, liquid-cooled tests engines and one 9-cylinder radial air-cooled engine were tested. Various types of combustion chambers were used and the engines were operated at compression ratios from 5.1 to 7.0 using spark ignition and from 13.5 to 15.6 using compression ignition. The investigation covered a range of engine speeds from 1,500 to 2,100 r.p.m. The fuels used were two grades of aviation gasoline, auto diesel fuel, and laboratory diesel fuel. Power, friction, and fuel-consumption data were obtained from the single-cylinder engines at the same time that the exhaust-gas samples were collected.

Gerrish, Harold C↗

NASA NTRS1976

Exit of a blast wave from a conical nozzle

The Eulerian computer code DORF was used in the analysis of a two-dimensional, unsteady flow field resulting from semi-confined explosions for propulsive applications. Initially, the ambient gas inside the conical shaped nozzle is set into motion due to the expansion of the explosion product gas, forming a shock wave. When this shock front exits the nozzle, it takes almost a spherical form while a complex interaction between the nozzle and compression and rarefaction waves takes place behind the shock. The results show an excellent agreement with experimental data.

Kim, K.↗

NASA NTRS1985

Ionized polycyclic aromatic hydrocarbons and the diffuse interstellar bands

A good case has recently been made that the unidentified infrared emission features arise from positively charged, partially hydrogenated polycyclic aromatic hydrocarbons (PAHs). In this letter it is suggested that these exceedingly stable ions are also the carriers of the diffuse interstellar bands. Although a large variety of PAH isomers is possible, the more condensed forms are substantially more stable than the less condensed forms and are expected to be dominant in the harsh interstellar environment. While neutral PAHs do not absorb in the visible, their ionized counterparts do. Because of their low ionization potential, a substantial fraction of the interstellar PAHs will be ionized. Visible spectra of the most stable PAH cations isolated in glasses are compared directly to the interstellar band spectra. Although the laboratory spectra are on an extremely compressed scale and solid state shifts are present, the comparison is favorable. Since little information is available concerning the spectroscopic properties of these species in the gas phase, a considerable amount of laboratory and theoretical work is called for to test this hypothesis.

Crawford, M. K.↗

NASA NTRS1986

Application of CFD to aerothermal heating problems

Numerical solutions of the compressible Navier-Stokes equations by an alternating direction implicit scheme, applied to two experimental investigations are presented. The first is cooling by injection of a gas jet through the nose of an ogive-cone, and the second is the aerothermal environment in the gap formed by the wing and elevon section of a test model of the space shuttle. The simulations demonstrate that accurate pressure calculations are easily obtained on a coarse grid, while convergence is obtained after the residual reduces by four orders of magnitude. Accurate heating rates, however, require a fine grid solution, with convergence requiring at least a reduction of six orders of magnitude in the residual. The effect of artificial dissipation on numerical results is also assessed.

Macaraeg, M. G.↗

NASA NTRS1990

Wave heating in magnetic flux tubes

The bright chromosphere in the quiet sun is confined to magnetic elements (flux tubes), which are located in the interior of the supergranulation cells and within the network that surrounds the cells. The paper discusses the heating of the gas in the magnetic elements of the cell interior. These intranetwork flux tubes are closely associated with bright points, which are heated by large-amplitude compressive waves with periods near the acoustic cutoff that travel outward from the photosphere and dissipate their energy in the chromosphere. The energy flux of these long-period waves appears to be sufficient for the heating of the low and middle chromosphere in the bright points.

Kalkofen, Wolfgang↗

NASA NTRS1992

Numerical simulation of transient hypervelocity flow in an expansion tube

Several numerical simulations of the transient flow of helium in an expansion tube are presented in an effort to identify some of the basic mechanisms which cause the noisy test flows seen in experiments. The calculations were performed with an axisymmetric Navier-Stokes code based on a finite volume formulation and upwinding techniques. Although laminar flow and ideal bursting of the diaphragms was assumed, the simulations showed some of the important features seen in experiments. In particular, the discontinuity in tube diameter of the primary diaphragm station introduced a transverse perturbation to the expanding driver gas and this perturbation was seen to propagate into the test gas under some flow conditions. The disturbances seen in the test flow can be characterized as either small amplitude, low frequency noise possibly introduced during shock compression or large amplitude, high frequency noise associated with the passage of the reflected head of the unsteady expansion.

Jacobs, P. A.↗