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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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At least 37 records · Page 2

Fully Distributed Acoustic and Magnetic Field Monitoring Via a Single Fiber Line for Optimized Production of Unconventional Resource Plays

This is the final technical report for the Virginia Tech Center for Photonics Technology (VT-CPT) research project entitled “Fully Distributed Acoustic and Magnetic Field Monitoring Via a Single Fiber Line for Optimized Production of Unconventional Resource Plays”. In the the four-year effort, VT-CPT collaborated with the Departments of Mathmatics at VT and Sentek Instrument, LLC (Sentek) to develop a fiber-optic sensing system capable of real-time simultaneous distributed measurement of multiple subsurface, drilling, and production parameters. The ultra-sensitive fiber optic distributed acoustic sensing technology, picoDAS, developed by Sentek was integrated with a novel multi-material optical sensing fiber fabricated by CPT-VT to obtain distributed acoustic and magnetic field measurements with ultrahigh sensitivity and high spatial resolution. The sensing technology successfully developed and demonstrated under this research program is truly unique has application beyond subsurface imaging to include carbon storage and electrical grid monitoring, as well as healthcare and nuclear fusion. The project, sponsored by the Advanced Technology Program, began in 2019 and had the original goal of developing the next generation of harsh environment sensing systems. Exhaustive theoretical modeling was performed to optimize the multi-material optical fiber design. VT developed the processing techniques employed to successfully fabricate single mode fibers with metal cladding wires. Sensing fibers with nickel and Metglas cladding wires were fully characterized, inscribed with sensors, and fully integrated with the picoDAS system. Laboratory scale testing was performed to demonstrate performance upon exposure to lateral and transverse magnetic fields. Preliminary field trials were performed for prototype magnetic and acoustic sensing systems upon near surface deployment at VT. The distributed acoustic and magnetic field sensing system was advanced from a (Technology Readiness Level) TRL=2 to a TRL=5 via laboratory scale system validation in relevant environments. The truly one-of-its kind distributed magnetic and acoustic sensing system is expected to find immediate applications that require subsurface monitoring, to include carbon storage site monitoring, and has the potential to be a distributive technology in healthcare and electric grid markets. The technologies developed by Virginia Tech’s Center for Photonics Technology will support the mission of the National Energy Technology Laboratory (NETL) to drive innovation and deliver solutions for an environmentally sustainable and prosperous energy future by ensuring affordable, abundant, and reliable energy that drives a robust economy and national security. Technical accomplishments during the program are summarized briefly here and described in detail in the remainder of the report.

02 PETROLEUM↗

Evaluating T 2 Conversion to Tritiated Water under Ambient Conditions - Case Study

In 2015, an incident released approximately 40 Ci of T 2 gas directly into the Tritium Exhaust System. Data from a bubbler system that monitored the stack effluent during the time period encompassing the accident, from 9 days prior through approximately 26 hours following the release, indicated that approximately 0.25% of the total accumulated tritium gas was in the form of tritiated water; however this value does not account for sources of tritium exhaust from other building operations and processes during the 9 days prior to this incident. Further analysis of the bubbler data around this time period considered the 9-day background contributions and shows that the actual fraction of the tritium that was released as tritiated water vapor (during and within 26 hours after the release) was likely lower than 0.1%.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Engineering Nanostructured Interfaces of Hexagonal Boron Nitride-Based Materials for Enhanced Catalysis

Hexagonal boron nitrides (h-BNs) are attractive two-dimensional (2D) nanomaterials that consist of alternating B and N atoms and layered honeycomb-like structures similar to graphene. They have exhibited unique properties and promising application potentials in the field of energy storage and transformation. Recent advances in utilizing h-BN as a metal-free catalyst in the oxidative dehydrogenation of propane have triggered broad interests in exploring h-BN in catalysis. However, h-BN-based materials as robust nanocatalysts in heterogeneous catalysis are still underexplored because of the limited methodologies capable of affording h-BN with controllable crystallinity, abundant porosity, high purity, and defect engineering, which played important roles in tuning their catalytic performance. Here, in this account, our recent progress in addressing the above issues will be highlighted, including the synthesis of high-quality h-BN-based nanomaterials via both bottom-up and top-down pathways and their catalytic utilization as metal-free catalysts or as supports to tune the interfacial electronic properties on the metal nanoparticles (NPs). First, we will focus on the large-scale fabrication of h-BN nanosheets (h-BNNSs) with high crystallinity, improved surface area, satisfactory purity, and tunable defects. h-BN derived from the traditional approaches using boron trioxide and urea as the starting materials generally contains carbon/oxygen impurities and has low crystallinity. Several new strategies were developed to address the issues. Using bulk h-BN as the precursor via gas exfoliation in liquid nitrogen, single- or few-layered h-BNNS with abundant defects could be generated. Amorphous h-BN precursors could be converted to h-BN nanosheets with high crystallinity assisted by a magnesium metallic flux via a successive dissolution/precipitation/crystallization procedure. The as-fabricated h-BNNS featured high crystallinity and purity as well as abundant porosity. An ionothermal metathesis procedure was developed using inorganic molten salts (NaNH 2 and NaBH 4 ) as the precursors. The h-BN scaffolds could be produced on a large scale with high yield, and the as-afforded materials possessed high purity and crystallinity. Second, utilization of the as-prepared h-BN library as metal-free catalysts in dehydrogenation and hydrogenation reactions will be summarized, in which they exhibited enhanced catalytic activity over the counterparts from the previous synthesis method. Third, the interface modulation between metal NPs with the as-prepared defects’ abundant h-BN support will be highlighted. The h-BN-based strong metal–support interaction (SMSI) nanocatalysts were constructed without involving reducible metal oxides via the ionothermal procedure we developed by deploying specific inorganic metal salts, acting as robust nanocatalysts in CO oxidation. Under conditions simulated for practical exhaust systems, promising catalytic efficiency together with high thermal stability and sintering resistance was achieved. Across all of these examples, unique insights into structures, defects, and interfaces that emerge from in-depth characterization through microscopy, spectroscopy, and diffraction will be highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Review on the Impact of SO 2 on the Oxidation of NO, Hydrocarbons, and CO in Diesel Emission Control Catalysis

A high-efficiency after-treatment technology has been required to meet the increasingly stringent regulations on the emissions of nitrogen oxides (NO x ), hydrocarbons (HCs), and carbon monoxide (CO) exhausts from diesel engine vehicles throughout the world. The diesel oxidation catalyst (DOC) is an indispensable part of a diesel-fueled exhaust system, which mainly functions in the oxidation of unburned HCs and CO to CO 2 and H 2 O (in the case of HCs) and a proportion of NO to NO 2 . However, the DOC will unavoidably be poisoned by trace gaseous SO 2 or accumulated sulfur on the catalyst under real operational conditions and hence impair the overall purification efficiency of the aftertreatment system. There have been significant research efforts from both academia and industry involving sulfur-relevant diesel oxidation chemistry and development of robust sulfur-resistant oxidation catalysts. In this review, we focus on recent advances in the study of SO 2 effects on the catalytic oxidation of NO, HCs, and CO over DOCs, with particular attention to the fundamentals beneath apparent observations of sulfur influence on PGM-based and non-noble metal-based catalysts in the different oxidation reactions. Regeneration methods and design rationale for sulfur-resistant catalysts are also covered. Several challenges in the future research regarding microscopic insights into the SO 2 -influencing mechanism and next-generation sulfur-resistant DOC design are highlighted toward real-world practice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tests of the DFT Ladder for the Fulminic Acid Challenge

Properties of the historically pivotal fulminic acid (HCNO) molecule have been computed with a panoply of 473 density functionals of all varieties, providing a snapshot of the performance of contemporary density functional theory (DFT) for a challenging chemical system. Exhaustive tabulations and statistical analyses have been carried out for geometric parameters, vibrational frequencies, barriers to linearity, and the HCN–O dissociation energy. As the DFT ladder is climbed, confusion rather than consensus ensues regarding the details of the distinctive, extremely flat H–C–N bending potential of fulminic acid and whether the equilibrium structure is linear or bent. While high-ranking DFT functionals produce the smallest errors for the HCN + O( 3 P) → HCNO reaction energy, lower rungs emerge as the best performers for many of the bond distances and harmonic vibrational frequencies. This research shows that the current DFT zoo of approximations does not constitute a transparent ladder of increasingly accurate methods that consistently converges on definitive predictions for various properties of HCNO. Additional analyses are performed on the side effects of popular dispersion corrections on the covalently bonded properties and thermochemistry of HCNO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

HEPA Filter Age Evaluation Report

In 2020, PNNL completed a literature search for high-efficiency particulate air (HEPA) filter age information. HEPA filters are used in many operations to remove particulate matter from effluent exhaust streams. They are thought to degrade over time both during proper storage and during normal operational service; however, the rate at which the filters degrade remains unknown. This brings into question if age is an adequate indicator of HEPA filter performance. Data from six previous reports were obtained from the literature search and combined to create a data set of 1600 operating filters. Filter usage was identified from multiple facilities. The various types of filters (e.g., axial flow, self-contained, and standard 24 x 24 x 11.5 inches; and both separator and separatorless) reported were constructed to the requirements Section FC (HEPA Filters) or Section FK (Special HEPA Filters) of the American Society of Mechanical Engineers AG-1 code. Filters were presumed to have continuously met the operational criteria and in particular passed both annual efficiency tests and annual DP measurements. The environmental conditions within the exhaust system were also assumed adequate for long-term filter operation. The data, by the nature of the reports, excludes rejected filters from quality assurance evaluations, intake, or installation testing. The collective data set shows over half of were operating past the current 10-year Department of Energy (DOE) limit. Data was evaluated for age lifetime using a linear trendline, survival function, probability functions, and failure rate; financial impacts were also addressed. This report supports the notion that HEPA filters can operate safely and efficiently under proper maintenance well past the 10-year lifetime established by DOE. Using the results of the four age evaluation approaches, they collectively point to the reasonableness of an operating HEPA filter lifetime of 20 years. The results are not necessarily definitive, but nevertheless, they are promising. The analysis provides reasonable assurance that when implemented using a graded approach with well-defined performance and operational requirements, extending the service life for HEPA filters beyond 10 years is low risk.

42 ENGINEERING↗

Effect of Micro-Structural Dispersity of SiMo Ductile Iron on High Temperature Performance during Static Oxidation

High silicon and molybdenum (SiMo) ductile iron is commonly used for car exhaust systems, and its micro-structural dispersity depends on intrinsic parameters, which include alloy composition and inoculation efficiency, as well as extrinsic factors, such as casting wall thickness and molding material, which define cooling rate during solidification. Micro-structural dispersity is referred to as the degree of heterogeneity of sizes of structural constituencies within the microstructure. A variation in the micro-structural dispersity could impact the high temperature performance of SiMo ductile iron during static oxidation and transient thermo-mechanical loading conditions. In this study, static high temperature tests were performed on SiMo ductile iron solidified in a casting with varying wall thicknesses from 5 mm to 100 mm. The faster solidified specimens (taken from near chilled casting surfaces) had extremely high micro-structural dispersity as compared to the thicker section samples. After thermal exposure, each of the samples were characterized using 2D sections and 3D µCT images, and the results indicated an order of magnitude difference in graphite phase dispersity. The surface degradation was quantified after static oxidation experiments were implemented at temperature intervals between 650 °C and 800 °C. Non-destructive µCT 3D analysis and SEM/EDS were performed on cross sections and used to quantify the scale topology and structure. Carbon analysis was used to decouple the scale formation and decarburization phenomena that occurred within the samples. These methods enabled the quantification of the oxidation of the SiMo cast iron with different micro-structural dispersity levels after being exposed to high temperature static oxidation. Additionally, the complex material behavior during oxidation-assisted transient thermo-mechanical loading will be presented in a separate article.

36 MATERIALS SCIENCE↗

APAD for College Credit

Draft Air Permit Applicability Determination (APAD) for Gaseous Hydrogen Supply and Exhaust System for Experiments in TREAT.

99 GENERAL AND MISCELLANEOUS↗

Tuning the Interaction between Platinum Single Atoms and Ceria by Zirconia Doping for Efficient Catalytic Ammonia Oxidation

Aiming at the development of an efficient NH 3 oxidation catalyst to eliminate the harmful NH 3 slip from the stationary flue gas denitrification system and diesel exhaust aftertreatment system, a facile ZrO 2 doping strategy was proposed to construct Pt 1 /Ce x Zr 1–x O 2 catalysts with a tunable Pt-CeO 2 interaction strength and Pt–O–Ce coordination environment. According to the results of systematic characterizations, Pt species supported on Ce x Zr 1–x O 2 were mainly in the form of single atoms when x ≥ 0.7, and the strength of the Pt-CeO 2 interaction and the coordination number of Pt–O–Ce bond (CN Pt–O–Ce ) on Pt 1 /Ce x Zr 1–x O 2 showed a volcanic change as a function of the ZrO 2 doping amount. Here, it was proposed that the balance between the reasonable concentration of oxygen defects and limited surface Zr–O x species well accounted for the strongest Pt-CeO 2 interaction and the highest CN Pt–O–Ce on Pt/Ce 0.9 Zr 0.1 O 2 . It was observed that the Pt/Ce 0.9 Zr 0.1 O 2 catalyst exhibited much higher NH 3 oxidation activity than other Pt/Ce x Zr 1–x O 2 catalysts. The mechanism study revealed that the Pt 1 species with the stronger Pt-CeO 2 interaction and higher CN Pt–O–Ce within Pt/Ce 0.9 Zr 0.1 O 2 could better activate NH 3 adsorbed on Lewis acid sites to react with O 2 thus resulting in superior NH 3 oxidation activity. This work provides a new approach for designing highly efficient Pt/CeO 2 based catalysts for low-temperature NH 3 oxidation.

36 MATERIALS SCIENCE↗

A Bifunctional Pt/CeO 2 -Cu 1 /CeO 2 Catalyst System for Isooctane Oxidation under Fully Simulated Engine-Exhaust Condition: Eliminating the Inhibition by CO

Pt-based catalysts, because of their outstanding activity for hydrocarbon oxidation, are widely used in the engine-exhaust aftertreatment system to remove hydrocarbon emissions. However, the CO and NO x present in real engine exhausts compete with hydrocarbons for active Pt sites, and thus inhibit hydrocarbon oxidation. In this work, we evaluated the inhibition effects of CO and NO on isooctane oxidation over a Pt/CeO 2 catalyst under the simulated condition of the US DRIVE test protocol (S-GDI, stoichiometric gasoline direct injection). We also leveraged a low-cost single-atom Cu 1 /CeO 2 catalyst, which is highly active for low-temperature CO oxidation, to eliminate the inhibition effect of CO. Specifically, by physically mixing Cu 1 /CeO 2 and Pt/CeO 2 , all the CO is completely converted below 200 °C under simulated exhaust condition, which helps lower the isooctane oxidation temperature. However, the unconverted NO still strongly suppresses HC oxidation. Possible strategies to address the NO inhibitor were proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Apparatuses and methods for generating carbon particles and exhaust gas used by gas turbine systems

Apparatuses for generating carbon particles and exhaust gas used by gas turbine systems are disclosed. One apparatus may include a decarbonization component combusting or reacting a mixture of a fuel and a mixing gas to generate the carbon particles and the exhaust gas and an exhaust conduit to receive the exhaust gas generated by the decarbonization component. The apparatus may also include a mixing duct in fluid communication with the exhaust conduit and the gas turbine system. The mixing duct may receive the exhaust gas and provide the exhaust gas to the gas turbine system to be used to produce a working fluid within the gas turbine system. The apparatus may further include a carbon particle collection component for receiving and storing the generated carbon particles.

Berry, Jonathan Dwight↗

Qualification of Mixing Criteria by Computational Fluid Dynamics Modeling for the 325 Building Stack Revision

Additional ventilation capacity has been designed for the 325 Building filtered exhaust stack system. The four (4) existing main facility exhaust fans are past the end of their useful life. The fans are being replaced to provide additional exhaust capacity for future growth and to provide a more robust system. Stack operations will involve running various fan combinations at any given time. The air monitoring system of the existing stack previously was found to comply with the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1-1999 standard. Full-scale, three-dimensional computational fluid dynamics (CFD) modeling was used to evaluate the modified four-fan system for compliance with the ANSI/HPS N13.1-2021 standard, which essentially is equivalent in mixing requirements to the ANSI/HPS N13.1-1999 standard (and ANSI/HPS N13.1-2011). The four mixing criteria evaluated are 1) flow angle, 2) velocity, 3) gas tracer, and 4) particle tracer. In addition to the evaluating the modified four-fan system a temporary single fan stack configuration was also evaluated with CFD modeling. The temporary stack is planned to be used while the four-fan system is being modified. Modeling of the modified four-fan design and temporary ductwork showed that flow angles, velocity uniformity, gas tracer, and particle tracer were acceptable.

42 ENGINEERING↗

Heat Pumps and Energy Recovering Ventilators in Northern Alaska

The intended purpose of this project was to bring alternative heat and ventilation options to rural communities off the road system in Northwestern Alaska. Most of the residents of these communities are reliant upon kerosene or other fossil fuels to provide heat to their homes. Our intention was to offer an alternative to using those sources by providing heat pumps to 45 homes in the communities of Elim and Koyuk. When projecting energy use for these units based on the fuel prices at the time, it was discovered that energy costs for heat pumps would equal or slightly exceed the costs of existing kerosene units. Secondly, as part of our E&l grant we installed 45 energy recovery ventilators (ERV’s) in those same homes. This was important given our experience over the years with moisture and comfort issues in most homes within this region. Exhaust-only systems are rarely used due to the high heating costs. Additionally, exhaust-only systems have a potential risk of back drafting due to tight building construction. Balanced systems like this eliminate that risk while improving indoor air quality. Another benefit to these types of systems is the fact that they help transfer heat from a single heat source equally throughout the building. Our overall goal was to offer new technology options to improve these structures and the families that reside in them where, given their location and extreme seasonal temperature swings, they have historically never been offered.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Water separation device for engine exhaust gas

A system includes an engine and an exhaust conduit in communication with the engine. A water separation device has exhaust gas passageways in communication with the exhaust conduit. The water separation device has a substrate and a membrane on the substrate. The substrate has inner walls surrounding the exhaust gas passageways with at least one of the inner walls being common to at least two of the exhaust gas passageways. The membrane is between the exhaust gas passageways and the substrate and has capillary condensation pores extending from the exhaust gas passageways to the substrate.

33 ADVANCED PROPULSION SYSTEMS↗