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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Characterization of SiO 2 Thermally Grown Oxide Stress Evolution of EBCs with Al-Containing Dopants

SiC/SiC ceramic matrix composites (CMCs) are desired for use in combustion environments to achieve higher turbine operating temperatures. However, CMCs require environmental barrier coatings (EBCs) for protection from the gas environment. EBC systems are known to primarily fail through coating delamination via growth of a thermally grown oxide (TGO) at the EBC—silicon bond coating interface when exposed to steam, which accelerates the TGO growth rate. The TGO undergoes a phase transformation during thermal cycling, which results in stresses that may encourage EBC spallation. Yb-silicate EBCs with mullite and yttrium aluminum garnet (YAG) dopant additions were deposited on SiC substrates with a Si intermediate bond coating and exposed to thermal cycling in steam at 1350 °C. The impact of Al dopant additions on the TGO growth rate and the SiO 2 phase transformation was assessed. Photo-stimulated luminescence spectroscopy (PSLS) was used to characterize the Al-containing phases and to measure stress evolution in the EBC following exposure using the stress-induced peak shift of the R-lines of mullite. Raman microscopy was used to map the stresses in the Si bond coating following exposure. It was found that the TGO phase transformation upon cooling increased compressive stress in the Si bond coating within 15 µm of the TGO.

Building Materials↗
NASA NTRS2004

Bubble Combustion

A method of energy production that is capable of low pollutant emissions is fundamental to one of the four pillars of NASA s Aeronautics Blueprint: Revolutionary Vehicles. Bubble combustion, a new engine technology currently being developed at Glenn Research Center promises to provide low emissions combustion in support of NASA s vision under the Emissions Element because it generates power, while minimizing the production of carbon dioxide (CO2) and nitrous oxides (NOx), both known to be Greenhouse gases. and allows the use of alternative fuels such as corn oil, low-grade fuels, and even used motor oil. Bubble combustion is analogous to the inverse of spray combustion: the difference between bubble and spray combustion is that spray combustion is spraying a liquid in to a gas to form droplets, whereas bubble combustion involves injecting a gas into a liquid to form gaseous bubbles. In bubble combustion, the process for the ignition of the bubbles takes place on a time scale of less than a nanosecond and begins with acoustic waves perturbing each bubble. This perturbation causes the local pressure to drop below the vapor pressure of the liquid thus producing cavitation in which the bubble diameter grows, and upon reversal of the oscillating pressure field, the bubble then collapses rapidly with the aid of the high surface tension forces acting on the wall of the bubble. The rapid and violent collapse causes the temperatures inside the bubbles to soar as a result of adiabatic heating. As the temperatures rise, the gaseous contents of the bubble ignite with the bubble itself serving as its own combustion chamber. After ignition, this is the time in the bubble s life cycle where power is generated, and CO2, and NOx among other species, are produced. However, the pollutants CO2 and NOx are absorbed into the surrounding liquid. The importance of bubble combustion is that it generates power using a simple and compact device. We conducted a parametric study using CAVCHEM, a computational model developed at Glenn, that simulates the cavitational collapse of a single bubble in a liquid (water) and the subsequent combustion of the gaseous contents inside the bubble. The model solves the time-dependent, compressible Navier-Stokes equations in one-dimension with finite-rate chemical kinetics using the CHEMKIN package. Specifically, parameters such as frequency, pressure, bubble radius, and the equivalence ratio were varied while examining their effect on the maximum temperature, radius, and chemical species. These studies indicate that the radius of the bubble is perhaps the most critical parameter governing bubble combustion dynamics and its efficiency. Based on the results of the parametric studies, we plan on conducting experiments to study the effect of ultrasonic perturbations on the bubble generation process with respect to the bubble radius and size distribution.

Corrigan, Jackie↗
NASA NTRS2002

Compression under a mechanical counter pressure space suit glove

Background: Current gas-pressurized space suits are bulky stiff shells severely limiting astronaut function and capability. A mechanical counter pressure (MCP) space suit in the form of a tight elastic garment could dramatically improve extravehicular activity (EVA) dexterity, but also be advantageous in safety, cost, mass and volume. The purpose of this study was to verify that a prototype MCP glove exerts the design compression of 200 mmHg, a pressure similar to the current NASA EVA suit. Methods: Seven male subjects donned a pressure measurement array and MCP glove on the right hand, which was placed into a partial vacuum chamber. Average compression was recorded on the palm, the bottom of the middle finger, the top of the middle finger and the dorsum of the hand at pressures of 760 (ambient), 660 and 580 mmHg. The vacuum chamber was used to simulate the pressure difference between the low breathing pressure of the current NASA space suits (approximately 200 mmHg) and an unprotected hand in space. Results: At ambient conditions, the MCP glove compressed the dorsum of the hand at 203.5 +/- 22.7 mmHg, the bottom of the middle finger at 179.4 +/- 16.0 mmHg, and the top of the middle finger at 183.8 +/- 22.6 mmHg. The palm compression was significantly lower (59.6 +/- 18.8 mmHg, p<0.001). There was no significant change in glove compression with the chamber pressure reductions. Conclusions: The MCP glove compressed the dorsum of the hand and middle finger at the design pressure.

NASA Discipline Life Sciences Technologies↗
NASA NTRS2015

Simplified Methodology to Estimate the Maximum Liquid Helium (LHe) Cryostat Pressure from a Vacuum Jacket Failure

The aircraft-based Stratospheric Observatory for Infrared Astronomy (SOFIA) is a platform for multiple infrared astronomical observation experiments. These experiments carry sensors cooled to liquid helium temperatures. The liquid helium supply is contained in large (i.e., 10 liters or more) vacuum-insulated dewars. Should the dewar vacuum insulation fail, the inrushing air will condense and freeze on the dewar wall, resulting in a large heat flux on the dewar's contents. The heat flux results in a rise in pressure and the actuation of the dewar pressure relief system. A previous NASA Engineering and Safety Center (NESC) assessment provided recommendations for the wall heat flux that would be expected from a loss of vacuum and detailed an appropriate method to use in calculating the maximum pressure that would occur in a loss of vacuum event. This method involved building a detailed supercritical helium compressible flow thermal/fluid model of the vent stack and exercising the model over the appropriate range of parameters. The experimenters designing science instruments for SOFIA are not experts in compressible supercritical flows and do not generally have access to the thermal/fluid modeling packages that are required to build detailed models of the vent stacks. Therefore, the SOFIA Program engaged the NESC to develop a simplified methodology to estimate the maximum pressure in a liquid helium dewar after the loss of vacuum insulation. The method would allow the university-based science instrument development teams to conservatively determine the cryostat's vent neck sizing during preliminary design of new SOFIA Science Instruments. This report details the development of the simplified method, the method itself, and the limits of its applicability. The simplified methodology provides an estimate of the dewar pressure after a loss of vacuum insulation that can be used for the initial design of the liquid helium dewar vent stacks. However, since it is not an exact tool, final verification of the dewar pressure vessel design requires a complete, detailed real fluid compressible flow model of the vent stack. The wall heat flux resulting from a loss of vacuum insulation increases the dewar pressure, which actuates the pressure relief mechanism and results in high-speed flow through the dewar vent stack. At high pressures, the flow can be choked at the vent stack inlet, at the exit, or at an intermediate transition or restriction. During previous SOFIA analyses, it was observed that there was generally a readily identifiable section of the vent stack that would limit the flow – e.g., a small diameter entrance or an orifice. It was also found that when the supercritical helium was approximated as an ideal gas at the dewar condition, the calculated mass flow rate based on choking at the limiting entrance or transition was less than the mass flow rate calculated using the detailed real fluid model2. Using this lower mass flow rate would yield a conservative prediction of the dewar’s wall heat flux capability. The simplified method of the current work was developed by building on this observation.

Ungar, Eugene K.↗
DOE OSTI2021

Effects of multiple simultaneous faults on characteristic fault detection features of a heat pump in cooling mode

Faults in air-cooled vapor compression air-conditioning systems are known to reduce performance, including efficiency, capacity, and lifespan. Their effects have been studied, and fault detection and diagnostic (FDD) methods have been developed as tools for field technicians to install or repair systems, or for monitoring to alert operators to the fault’s presence. Most of this work has focused on faults that occur singly. It is likely that in some systems, multiple faults occur simultaneously, but it is uncertain what effects this may have on diagnostics. Here, this paper describes a laboratory study of a split system air source heat pump in which combinations of two, three, and four simultaneous faults occur. The study includes all combinations of: improper evaporator airflow; overcharge or undercharge of refrigerant; liquid line restrictions; and non-condensable gas in the refrigerant, each at multiple fault intensities. Fault features – those characteristics that can be determined from measurements, for use in diagnostics – are analyzed, and the key fault features are presented. A robust existing method for determining refrigerant charge, the virtual refrigerant charge sensor (VRC) is tested using the multiple fault data, in order to understand how its performance is impacted by the combined faults. The VRC performs well, typically able to correctly determine whether a system is undercharged or overcharged, but the magnitude estimates are impacted. The results suggest that simple subcooling-based methods of charging a system are likely to provide unsatisfactory results when other faults are present.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Effects of stereoisomeric structure and bond location on the ignition and reaction pathways of hexenes

The current work presents new experimental autoignition and speciation data on the two cis-hexene isomers: cis-2-hexene and cis-3-hexene. The new data provide insights on the effects of carbon-carbon double bond location and stereoisomeric structures on ignition delay times and reaction pathways for linear hexene isomers. Experiments were performed using the University of Michigan rapid compression facility to determine ignition delay times from pressure-time histories. Stoichiometric (Φ = 1.0) mixtures at dilution levels of inert gas to O 2 = 7.5:1 (mole basis) were investigated at an average pressure of 11 atm and temperatures from 809 to 1052 K. Speciation experiments were conducted at T = 900 K for the two cis-hexene isomers, where fast-gas sampling and gas chromatography were used to identify and quantify the two cis-hexene isomers and stable intermediate species. The ignition delay time data showed negligible sensitivity to the location of the carbon-carbon double bond and the stereoisomeric structure (cis-trans), and the species data showed no correlation with the stereoisomeric structure, but there was a strong correlation of some of the measured species with the location of the double bond in the hexene isomer. In particular, 2-hexene showed strong selectivity to propene, acetaldehyde, and 1,3-butadiene, and 3-hexene showed selectivity to propanal. Model predictions of ignition delay times were in excellent agreement with the experimental data. Furthermore, there was generally good agreement for the model predictions of the species data for 2-hexene; however, the mechanism overpredicted some of the small aldehyde (C 2 -C 4 ) species for 3-hexene. Reaction pathway analysis indicates the hexenes are almost exclusively consumed by H-atom abstraction reactions at the conditions studied (P = 11 atm, T > 900 K), and not by C 3 -C 4 scission as observed in high-temperature (>1300 K) hexene ignition studies. Improved estimates for 3-hexene + OH reactions may improve model predictions for the species measured in this work.

42 ENGINEERING↗
NASA NTRS2012

NASA Tech Briefs, May 2012

Topics covered include: An "Inefficient Fin" Non-Dimensional Parameter to Measure Gas Temperatures Efficiently; On-Wafer Measurement of a Multi-Stage MMIC Amplifier with 10 dB of Gain at 475 GHz; Software to Control and Monitor Gas Streams; Miniaturized Laser Heterodyne Radiometer (LHR) for Measurements of Greenhouse Gases in the Atmospheric Column; Anomaly Detection in Test Equipment via Sliding Mode Observers; Absolute Position of Targets Measured Through a Chamber Window Using Lidar Metrology Systems; Goldstone Solar System Radar Waveform Generator; Fast and Adaptive Lossless Onboard Hyperspectral Data Compression System; Iridium Interfacial Stack - IrIS; Downsampling Photodetector Array with Windowing; Optical Phase Recovery and Locking in a PPM Laser Communication Link; High-Speed Edge-Detecting Line Scan Smart Camera; Optical Communications Channel Combiner; Development of Thermal Infrared Sensor to Supplement Operational Land Imager; Amplitude-Stabilized Oscillator for a Capacitance-Probe Electrometer; Automated Performance Characterization of DSN System Frequency Stability Using Spacecraft Tracking Data; Histogrammatic Method for Determining Relative Abundance of Input Gas Pulse; Predictive Sea State Estimation for Automated Ride Control and Handling - PSSEARCH; LEGION: Lightweight Expandable Group of Independently Operating Nodes; Real-Time Projection to Verify Plan Success During Execution; Automated Performance Characterization of DSN System Frequency Stability Using Spacecraft Tracking Data; Web-Based Customizable Viewer for Mars Network Overflight Opportunities; Fabrication of a Cryogenic Terahertz Emitter for Bolometer Focal Plane Calibrations; Fabrication of an Absorber-Coupled MKID Detector; Graphene Transparent Conductive Electrodes for Next- Generation Microshutter Arrays; Method of Bonding Optical Elements with Near-Zero Displacement; Free-Mass and Interface Configurations of Hammering Mechanisms; Wavefront Compensation Segmented Mirror Sensing and Control; Long-Life, Lightweight, Multi-Roller Traction Drives for Planetary Vehicle Surface Exploration; Reliable Optical Pump Architecture for Highly Coherent Lasers Used in Space Metrology Applications; Electrochemical Ultracapacitors Using Graphitic Nanostacks; Improved Whole-Blood-Staining Device; Monitoring Location and Angular Orientation of a Pill; Molecular Technique to Reduce PCR Bias for Deeper Understanding of Microbial Diversity; Laser Ablation Electrodynamic Ion Funnel for In Situ Mass Spectrometry on Mars; High-Altitude MMIC Sounding Radiometer for the Global Hawk Unmanned Aerial Vehicle; PRTs and Their Bonding for Long-Duration, Extreme-Temperature Environments; Mid- and Long-IR Broadband Quantum Well Photodetector; 3D Display Using Conjugated Multiband Bandpass Filters; Real-Time, Non-Intrusive Detection of Liquid Nitrogen in Liquid Oxygen at High Pressure and High Flow; Method to Enhance the Operation of an Optical Inspection Instrument Using Spatial Light Modulators; Dual-Compartment Inflatable Suitlock; Large-Strain Transparent Magnetoactive Polymer Nanocomposites; Thermodynamic Vent System for an On-Orbit Cryogenic Reaction Control Engine; Time Distribution Using SpaceWire in the SCaN Testbed on ISS; and Techniques for Solution- Assisted Optical Contacting.

Source record↗
NASA NTRS2024

Development of a High Frequency Class-A Amplifier for High Temperature Wireless Microsystems based on a Silicon Carbide Static Induction Transistor

Next generation gas turbine engine health monitoring for high performance jet engine-powered aircraft will incorporate integrated microelectronic sensors specifically designed to enhance aircraft functionality, engine efficiency, and safety. Temperature, air flow and pressure associated with the gas path as well as emissions from the engine correlate to the state of the combustor and other engine health conditions. Monitoring these parameters accurately requires positioning electronic sensors in the hot zone of the gas turbine engine, which exposes them to temperatures in excess of 400ºC. At these temperatures, signal amplification is needed at the transducer level to distinguish the desired measured signal from the significant electronic noise generated by the harsh environment. In this presentation, we report on the simulation, development, fabrication, and testing on a high temperature Class-A amplifier which utilizes a 4H-SiC Static Induction Transistor (SIT) as the active device and input/output matching and DC bias networks comprised of thin-film spiral inductors, metal-insulator-metal capacitors, and thick film chip resistors. A small signal model that emulates the operation of the 4H-SiC SIT from 25 to 400ºC, with an emphasis on operation at 400οC, was utilized. Measurements were performed from 25 to 400ºC to generate current-voltage curves, capacitive transistor characteristics and high frequency scattering parameters (S-parameters). The measured data was used to extrapolate the transconductance, gm, as a function of temperature for model development. Circuit simulation tools were used to generate S-parameters, which were compared to the measured values. At 400οC, a maximum difference between measured and simulated S-parameters for frequencies from 20 to 100 MHz were 3.84%, 0.68%, 10.61%, and 3.26% for S21, S12, S11, and S22, respectively. The average transit frequency, ft, was calculated from measured values to be 197.8 MHz, while the simulated value from the model was found to be 200 MHz. The Amplifier’s S-parameters were recorded at 20-100 MHz over a temperature range of 25-400ºC and show a gain of approximately 15.8 and 5.80 dBm at 25 and 400ºC, respectively. The input and output reflection coefficients at 50 MHz and 400ºC were -18.5 and -15.2 dB, respectively. The noise figure and phase noise were measured over the temperature range of 25-400ºC and recorded. The noise figure increased 21% at 50 MHz over the temperature range, while the 1 kHz offset of the phase noise remained below -110 dB. The stability factor, K, calculated with measured and simulated data demonstrates unconditional stability over the frequency range at 400ºC. Lastly, the 1-dB compression point was measured at 50 MHz and 400ºC with an approximated output of 9.5 dBm.

SiC↗
NASA NTRS1992

Navier-Stokes analysis and experimental data comparison of compressible flow within ducts

Many aircraft employ ducts with centerline curvature or changing cross-sectional shape to join the engine with inlet and exhaust components. S-ducts convey air to the engine compressor from the intake and often decelerate the flow to achieve an acceptable Mach number at the engine compressor by increasing the cross-sectional area downstream. Circular-to-rectangular transition ducts are used on aircraft with rectangular exhaust nozzles to connect the engine and nozzle. To achieve maximum engine performance, the ducts should minimize flow total pressure loss and total pressure distortion at the duct exit. Changes in the curvature of the duct centerline or the duct cross-sectional shape give rise to streamline curvature which causes cross stream pressure gradients. Secondary flows can be caused by deflection of the transverse vorticity component of the boundary layer. This vortex tilting results in counter-rotating vortices. Additionally, the adverse streamwise pressure gradient caused by increasing cross-sectional area can lead to flow separation. Vortex pairs have been observed in the exit planes of both duct types. These vortices are due to secondary flows induced by pressure gradients resulting from streamline curvature. Regions of low total pressure are produced when the vortices convect boundary layer fluid into the main flow. The purpose of the present study is to predict the measured flow field in a diffusing S-duct and a circular-to-rectangular transition duct with a full Navier-Stokes computer program, PARC3D, and to compare the numerical predictions with new detailed experimental measurements. The work was undertaken to extend previous studies and to provide additional CFD validation data needed to help model flows with strong secondary flow and boundary layer separation. The S-duct computation extends the study of Smith et al, and Harloff et al, which concluded that the computation might be improved by using a finer grid and more advanced turbulence models. The present study compares results for both the Baldwin-Lomas and k-epsilon turbulence models and is conducted with a refined grid. For the transition duct, two inlet conditions were considered, the first with straight flow and the second with swirling flow. The first case permits examination of the effects of the geometric transition on the flow field, while the second case includes the rotational flow effect characteristic of a gas turbine engine.

Harloff, G. J.↗
DOE OSTI2020

Hydrodynamic instabilities and heat transfer characteristics in the duct flow of a fluid in the supercritical thermodynamic regime

The behavior of fluids at supercritical thermodynamic conditions is inherently complex due to large variations in thermodynamic and transport properties. Recent numerical and experimental investigations illustrate ongoing interest for these fluids, especially supercritical CO 2 and supercritical water, for a variety of applications. For example, supercritical water reactors (SCWR) operate in this extreme condition of high-pressure and temperature, resulting in highly dynamic flow fields and unexpected heat transfer regimes. The potential heat transfer benefits in this regime are directly associated with the extreme variations in thermodynamic and transport properties, which occur at, and above, the critical point. This work characterizes the hydrodynamic instabilities that arise for fluids at supercritical thermodynamic conditions when buoyancy forces are significant. Two specific configurations are considered, a natural convection cavity flow, and a mixed convection, heated, horizontal channel flow. Natural convection flow in a cavity is a classical configuration with expected behavior below the critical point. This configuration aids in characterizing the effect of the variable properties in the supercritical thermodynamic regime. Further, limited studies in the existing literature have been conducted for low-Reynolds and intermediate-Rayleigh numbers, mixed-convection channel flows for supercritical water, which is the focus of the channel flow configuration. To investigate the thermally driven hydrodynamic instabilities in this regime, a high-order fully-implicit numerical method is used. Such strong variations in thermophysical properties (in particular, density) are difficult to simulate and an altogether compressible framework is needed. Therefore, the compressible Navier-Stokes equations are solved without any additional assumptions. The fully implicit, high-order in space and time, reconstructed discontinuous Galerkin method as implemented within the multi-physics code called ALE3D (Arbitrary Lagrangian and Eulerian in 2D and 3D), developed at Lawrence Livermore National Laboratory (LLNL), is used. This fully implicit, L-stable method accurately captures the compressible nature of the ow in the limit of very low Mach number. It has been widely accepted that above the critical point, only one phase is observed. However, recent research has indicated the existence of the distinct gas-like and liquid-like regions separated by the Widom line, the locus of the maxima of the specific heat. Along the Widom line, density decreases 6-fold, viscosity drops by a factor of 2, while specific heat spikes by an order of magnitude. These variations, specifically in density and viscosity, produce a thick pseudo-interface and flow dynamics behavior akin to film boiling. A pseudo-film at the heated wall of the cavity and the horizontal channel is observed where buoyancy forces induce mixing through the specific configurations. Further the local Rayleigh and Richardson numbers provide maps of the flow field and the buoyancy forces driving the microscopic mixing. In the first chapter, I describe a background of supercritical fluid and the various applications. The second chapter focuses on the mathematical model and numerical method used for simulations, where a description of the equation of state for supercritical water is described. The third chapter focuses on the natural convection cavity with a heated bottom wall. In this cavity a gas-like and a liquid-like flow within the supercritical thermodynamic regime are observed. The fourth chapter focuses on a forced convection, horizontal channel, distinguishing between the gas-like, liquid-like, and mixed flow regimes. Mixed convection flow, with the addition of gravitational forces in the horizontal channel show the influence of variable properties on the hydrodynamic development, heat transfer, and rising instabilities. The last chapter of this research focuses on characterizing the unstable hydrodynamics through time-averaging processes and analysis of the movement of energy through the developing plumes.

42 ENGINEERING↗
DOE OSTI2022

Modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge

In this work, we present the results of two-dimensional modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge. A multiscale adaptive reduced chemistry solver for plasma assisted combustion (MARCS-PAC) based on PASSKEy discharge modeling package and compressible multi-component reactive flow solver ASURF+ is developed and validated. This model is applied to simulate the impact of non-equilibrium plasma excitation and electrode geometry and heat loss on the dynamics of the discharge from streamer to spark and ignition kernel development in a H 2 /air mixture with a pair of cylindrical electrodes. The results show that the plasmagenerated species (N 2 (A), N 2 (B), N 2 (a'), N 2 (C), O( 1 D), O and H) in the spark and afterglow significantly accelerate the ignition kernel development. The increase of discharge voltage at the same total discharge energy promotes the non-equilibrium active species production. It is found that the production of electronically excited species at higher reduced electric field strength is more efficient in enhancing ignition in comparison to the vibrational excitation and heating. Moreover, the 2D simulation clearly reveals that the electric field and active species distribution are highly non-uniform. The streamers are initiated at the sharp outer edges of the negative and positive electrodes by a strong electric field while the electric field is much weaker at the centerline of the electrodes. Furthermore, the simulations reveal that the ignition enhancement is sensitive to the variation of electrode shape, diameter, and gap size due to the changes of electric field distribution and location of streamer formation. A cylindrical electrode produces a larger discharge volume and ignition kernel than the parabolic and spherical electrodes, when the discharge is localized near the axis of the gap. It is found that there is a non-monotonic dependence of ignition kernel size on the electrode diameter and inter-electrode distance. The increase of electrode diameter and gap size above the optimal conditions leads to the reduction of ignition kernel volume, due to the decrease of active species concentration and gas temperature. At a larger electrode surface area and electrode diameter as well as smaller electrode gap size, the heat loss to electrode plays a greater role in reducing the ignition kernel size and slowing ignition kernel development. This work provides insights and guidance to understand the kinetic enhancement of non-equilibrium plasma and the effects of electrode geometries on ignition for the optimization ignitors in advanced engines.

42 ENGINEERING↗
DOE OSTI2020

Experimental Study of the Effect of Start of Injection and Blend Ratio on Single Fuel Reformate RCCI

Abstract A new concept of single fuel reactivity-controlled compression ignition (RCCI) has been proposed through the catalytic partial oxidation (CPOX) reformation of diesel fuel. The reformed fuel mixture is then used as the low reactivity fuel and diesel itself is used as the high reactivity fuel. In this paper, two reformate mixtures from the reformation of diesel were selected for further analysis. Each reformate fuel mixture contained a significant fraction of inert gases (89% and 81%). The effects of the difference in the molar concentrations of the reformate mixtures were studied by experimenting with diesel as the direct injected fuel in RCCI over a varying start of injection timings and different blend ratios (i.e., the fraction of low and high reactivity fuels). The reformate mixture with the lower inert gas concentration had earlier combustion phasing and shorter combustion duration at any given diesel start of injection timing. The higher reactivity separation between reformate mixture and diesel, compared with gasoline and diesel, causes the combustion phasing of reformate-diesel RCCI to be more sensitive to the start of injection timing. The maximum combustion efficiency was found at a CA50 before top dead center (TDC), whereas the maximum thermal efficiency occurs at a CA50 after TDC. The range of energy-based blend ratios in which reformate-diesel RCCI is possible is between 25% and 45%, limited by ringing intensity (RI) at the low limit of blend ratios, and coefficient of variance (COV) of net indicated mean effective pressure (IMEPn) and combustion efficiency at the high limit. Intake boosting becomes necessary due to the oxygen deficiency caused by the low energy density of the reformate mixtures as it displaces intake air.

Engineering↗
DOE OSTI2022

Analytical Modeling of Biomass Transport and Feeding Systems

The processing of biomass solids in a biorefinery consists of pretreatment, enzyme hydrolysis / concurrent fermentation of sugars to ethanol, product recovery, and drying. Sustainable operation requires a front end that transforms wet solids into a pumpable slurry. Otherwise the biorefinery will suffer unscheduled shut-downs and inefficient operation due to solids that obstruct pumps and other equipment and resist mixing in a bioreactor. Downtime in pioneer biorefineries due to interruptions from materials handling problems has been 50% or more, leading to unsustainable manufacturing processes. This work addresses new technology, predictive computational models, and definition of operational conditions that result in formation of slurries of corn stover at up to 300 g/L using low enzyme loadings (1 to 3 FPU cellulase/g) before the biomass (corn stover) enters the pretreatment step. A team of researchers from Purdue University, Idaho National Laboratory (INL), Forest Concepts, AdvanceBio, Argonne National Laboratory, and DOE BETO have combined their knowledge in agricultural and biological engineering, bioprocess engineering, mechanical engineering, chemical engineering, agricultural economics, materials engineering and enzyme and microbial technology to address the challenge of making lignocellulose flow. This team effort has resulted in the development and validation of conditions that employ low levels of commercial enzyme in an agitated bioreactor to which corn stover pellets are added resulting in formation of slurries at high solids loadings, before pretreatment. This approach overcomes challenges caused by handling of dry, particulate biomass materials at the front end of the biorefinery. The subsequent materials handling issues cause obstruction at pumps, pipes and valves. Formation of high loadings slurries with low yield stress, as reported here, significantly decreases the potential for process interruption and enhances plant operability. Key advances in the knowledge of how slurry formation occurs is reported here and in recently published journal papers. We found that pellets are needed to achieve high solids loading, and that commercial enzymes are effective in forming slurries of corn stover particles from pellets that have not been pretreated. Our work has resulted in models that predict solids behavior for formation of compressed solids and pellets that in turn facilitate slurries made of high concentrations of corn stover particles. A computational model was developed that gives mechanistic insights into properties of particles and mixing process that gives the slurry rheology needed to facilitate pumping. Hence, the corn stover may be pumped into a pretreatment reactor in place of auguring in solids against high pressure which is a root cause of interruptions at the front end of a biorefinery. Subsequent mixing in enzyme and microbial bioreactors results in conversion of lignocellulose to sugars in a biorefinery in agitated bioreactors, with flows in and out of the vessels being less likely to be interrupted due to plugging or materials handling problems. The obtained data coupled to process models, techno-economic assessment (TEA) and Life Cycle Analysis (LCA) were used to assess whether this approach is practical. These results are based on a foundation of laboratory characterization and pilot runs. The NREL biochemical sugar model was utilized to carry out techno-economic analysis of enzyme catalyzed liquefaction followed by enzyme hydrolysis. The minimum sugar selling price was between 17.5 and 18.3 ¢/pound or about the same as calculated by the NREL model for dilute acid pretreatment followed by enzyme hydrolysis. Life cycle analysis (LCA) based on Argonne’s Greet Model showed the enzyme catalyzed route had the lowest greenhouse gas emissions of the three combinations studied (i.e., enzyme, enzyme mimetic, and enzyme + mimetic combined). GHG emissions for enzyme-based corn stover liquefaction step, alone, were about 21 g CO 2 -equivalent/kg of liquefied slurry. We believe this approach will further enhance operability of a pioneer biorefinery, and bring large-scale conversion of lignocellulosic biomass to low carbon footprint biofuels closer to implementation.

09 BIOMASS FUELS↗
DOE OSTI2021

Cryogenic Carbon Capture™ (CCC) Status Report

The Cryogenic Carbon Capture™ (CCC) process separates CO2 from light gases in essentially any continuous process. CCC cools the gases to the frost or desublimation point of CO2 (-100 to -135 °C), separates and pressurizes the solids, and warms all streams to produce a CO2-depleted stream at ambient pressure and a pure (99+%) pressurized liquid CO2 stream typically to about 150 bar, both at ambient temperature. The process also recovers all gas moisture and most gas impurities less volatile than CO2 (NOx, SOx, Hg, PM, UHC, CCC, etc.) in separable streams. CCC nearly eliminates refrigeration energy for sensible temperature changes through heat integration. CCC does require energy to change the CO2 phase from a mixed vapor to a pressurized fluid, which represents the minimum energy required of any process for this separation. CCC uses additional energy for turbomachinery inefficiencies, heat losses, moisture removal and overall process pressure drop. Aside from these real-world energy demands, CCC operates near the minimum energy required to perform this gas separation by minimizing stream recycling. CCC compresses CO2 as a liquid, which is one of several reasons it costs about about half as much and consumes about half as much energy as an amine process when using flue gases with about 15% CO2. The process also has several major additional advantages, including (a) it is a bolt-on retrofit technology that does not need steam or any modification of existing equipment, (b) it recovers water and nearly all pollutants in addition to CO2 from the flue gas, (c) it enables highly efficient and cost effective energy storage at grid scale and on time scales of minutes, (d) it enables NG storage if the energy storage option is used, and (d) it has a small footprint and is minimally disruptive to existing plants, requiring only electrical power and a gas source to operate. Sustainable Energy Solutions (SES) has scaled this technology through several levels, the largest of which captures nominally 1 tonne of CO2/day and is called the skid system. Skid system field tests include utility-scale power plants, cement plants, heating plants, and other utility or industrial sites that burn natural gas, biomass, coal, shredded tires, municipal waste, and combinations of these fuels. These field tests produced 95-99% CO2 capture with CO2 purities of 99+% and initial CO2 contents that range from 4 to 28%. SES currently seeks to scale the system to merchant scale (10-80 tonnes of CO2 per day). In the process of doing so, SES has demonstrated the potential for CCC to contribute to energy storage and direct air capture in innovative and cost-effective ways. This presentation discusses the overall process and highlights results from field and in-house tests. These include (a) measured CO2 capture rates and operating conditions from in-house and field tests, and (b) predicted utility-scale costs and energy demands. This discussion also includes the application of the CCC technology to energy storage and direct air capture.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Epoxy-based vitrimeric semi-interpenetrating network/MXene nanocomposites for hydrogen gas barrier applications

Herein, we report MXene-filled epoxy-based vitrimeric nanocomposites featuring a semi-interpenetrating network (S-IPN) to develop a hydrogen gas (H 2 ) barrier coating with self-healing characteristics for compressed H 2 storage applications. The reversible epoxy network was formed by synthesizing linear epoxy chains with pendent bis-hydroxyl groups using amino diol, which were then crosslinked with 1,4-benzenediboronic acid to generate dynamic boronic ester linkages. To achieve the S-IPN-type molecular arrangement, the epoxy chains were in situ crosslinked in the presence of poly(ethylene-co-vinyl alcohol) (EVOH), giving rise to a self-healing network (EEP) with a healing efficiency of 87%. Into the S-IPN vitrimer (EEP), a 2D platelet-type nanofiller MXene was incorporated to introduce a tortuous path for H 2 gas diffusion along with improved mechanical properties. The nanocomposite coating was applied to nylon 6 liner material, which is conventionally used in all-composite H 2 storage vessels. Further, the application of a 2 wt% MXene/EEP nanocomposite coating showed a permeability coefficient of 0.062 cm 3 mm m -2 d -1 atm -1 exhibiting ~96% reduction in gas permeability compared to uncoated nylon 6. The same nanocomposite exhibited a healing efficiency of 79%. Increasing the MXene loading to 10 wt% further reduced the permeability coefficient to 0.002 cm 3 mm m -2 d -1 atm -1 ; however, the healing efficiency decreased due to restricted chain mobility. In essence, the current work highlights the potential of vitrimeric S-IPN nanocomposite coatings for H 2 gas-barrier applications, enhancing safety and performance.

42 ENGINEERING↗
DOE OSTI2024

RePED 250: A Revolutionary, High Drilling Rate, High-T Geothermal Drilling System and Companion Power Electronics

Geothermal drilling in the United States is drastically slower and more costly than Oil and Gas (O&G) drilling, primarily due to the additional challenges in geothermal wells: hard rock types and high temperatures. The Repetitive Pulsed Electric Drill (250°C) (RePED-250), developed by Tetra Corporation has the potential to change this with a novel electro-crushing technology. RePED-250 releases pulses of electricity through the rock, which causes it to break in tension, instead of compression like conventional rotary drilling. The tensile strength of hard rocks like granite is only ~5% of their compressive strength, requiring less energy, time, and wear on the bit compared to conventional drilling. The RePED drill bit has no moving parts, uses drilling mud to remove rock fragments, and uses standard drill pipe, enabling a direct transition from conventional drilling systems. The objective of this project is to move RePED technology towards commercial readiness for high-temperature geothermal applications. This involves: 1) Creating high-temperature, high power electronic components for the RePED drill capable of operating at the high temperatures of a geothermal well. The target is a 250°C ambient environment. Specifically, capacitors, high voltage switches, and a downhole generator capable of generating the necessary power. 2) Demonstrating RePED’s effectiveness drilling through hard rock (granite) and examining its pathway to commercialization and effect on the US geothermal market. Work on this project has led to significant improvement over the state-of-the-art for all the examined electronics, through design, modeling, and testing of these novel components, though some additional development is still needed to deploy these high-temperature parts in a geothermal well. Besides their use in RePED-250, each component has applications in other industries where the stability of electronics at high-temperature is needed. To address the second barrier to commercialization, a 9” hole was drilled through a sample block of granite, demonstrating the tool’s effectiveness in hard rock. The team investigated RePED-250’s effect on well cost and the geothermal industry, through various techno-economic models described in the report.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Chemical kinetic interactions of NO with a multi-component gasoline surrogate: Experiments and modeling

Here this work reports an experimental and modeling study on the chemical kinetic interactions of NO with a multi-component gasoline surrogate, namely PACE-20, using a twin-piston rapid compression machine at a stochiometric fuel loading with 20% EGR (exhaust gas recirculation) by mass, pressures of 20 and 40 bar, and temperatures from 700 to 930 K. Five NO concentrations are investigated, namely 0, 20, 50, 70 and 150 ppm, where NO addition effects are characterized through changes in PACE-20 ignition reactivity and heat release characteristics. Experiments indicate that within the low-temperature regime, NO promotes low-temperature heat release rate and main ignition reactivity at low addition levels, with saturation or even inhibiting effects observed at >50 ppm NO addition, while within the NTC/intermediate-temperature regime, adding NO only promotes reactivity. A recently updated, detailed chemical kinetic model with chemistry specific to NOx/hydrocarbons interaction incorporated is used to simulate the experiments, and reasonable agreement is obtained. In-depth sensitivity and rate of production analyses are further performed. The results indicate that NO interacts with PACE-20 via two types of interaction: (a) direct interactions between NO and PACE-20 derivatives, primarily through NO+HO 2 ↔NO 2 +OH and RO 2 +NO↔RO+NO 2 , and (b) indirect interactions between PACE-20 derivatives and NO 2 produced from the direct interactions, primarily through R+NO 2 ↔RO+NO. The observed NO inhibiting effect at low temperatures and 150 ppm NO addition is attributed to the lack of HO 2 radicals to sustain NO consumption via NO+HO 2 ↔NO 2 +OH, and the take-up of inhibiting pathways via RO 2 +NO↔RO+NO 2 . The results also indicate that even with the presence of multiple fuel components, NOx/hydrocarbons interactions are highly selective, and are mainly initiated by the interactions between NO and RO 2 radicals from cyclopentane and ethanol, as well as between NO 2 and R radicals from toluene, 1,2,4-trimethylbenzene and 1-hexene. Further studies on these interactive reactions are therefore highly recommended.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Unraveling the role of EGR olefins at advanced combustion conditions in the presence of nitric oxide: Ethylene, propene and isobutene

We report the role of EGR (exhaust gas recirculation) olefinic constituents at advanced combustion conditions in the presence of nitric oxide is unraveled in this study through experimental and modeling efforts using a twin-piston rapid compression machine operating at a stochiometric fuel loading with 20% EGR by mass, pressures of 20 and 40 bar, and temperatures from 680 to 950 K. Five different levels of olefin addition, focusing on ethylene, propene and isobutene, with a fixed amount of NO at 70 ppm are doped into test mixtures of PACE-20, a multi-component gasoline surrogate, where olefin addition effects are characterized through changes in ignition times and heat release rates. Experiments indicate that all three EGR olefins inhibit autoignition reactivity and low-temperature heat release at Tc < 850 K, with isobutene exhibiting the greatest impact, while at Tc > 850 K, low ethylene and propene additions promote reactivity. A recently updated chemical kinetic model, with detailed gasoline/NO x interacting and olefin/NO x interacting chemistry incorporated, is adopted to simulate the experiments. Simulation results are somewhat inconsistent with the experiments, where the model captures the inhibiting effects of all olefins on first-stage ignition reactivity, while consistently predicting a promoting effect on main ignition reactivity. Sensitivity and rate of production analyses reveal that adding olefins greatly alters the role of the consuming pathways for the olefins and their primary derivatives at the initial stage of the oxidation process, particularly with the presence of NO, where the olefins and their derivatives interact with both NO x species such as NO 2 and other species such as OH and HO 2 . The olefin/NO x interactions are particularly pronounced with propene and isobutene addition, where these lead to increased ignition reactivity by facilitating NO production and are mostly responsible for the disagreement between the model and experiments. Further investigations of olefin interacting chemistry, particularly those with NOx species, are needed for chemistry models to accurately predict the complicated effects of EGR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗