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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 OSTI2024

DEVELOPMENT OF PLASMA SIMULATION TOOL FOR THE ACCEL-ERATING CAVITIES

Plasma processing of superconducting radio frequency (SRF) cavities has shown an improvement in accelerating gradient by reducing the radiation due to field emission and multipacting. Plasma processing is a common tech-nique where the free oxygen produced by the plasma breaks down and removes hydrocarbons from surfaces. This increases the work function and reduces the second-ary emission coefficient. The hydrocarbon fragments of H2, CO, CO2, and H2O are removed from the system with the process gas which is flowing through the system. Here, we present COMSOL for the first time to simulate the plasma processing of an SRF cavity. In this work, we use Jefferson Lab's C75 SRF cavities design as our case study. Using simulation, we predict the condition of plasma ignition inside the SRF cavity. The simulation provides information about the optimal rf coupling to the cavity, mode for plasma ignition, choice of gas concen-tration, power, and pressure.

Senevirathne, I.↗
DOE OSTI2023

Simulation of the dynamics of gas mixtures during plasma processing in the C75 Cavity

Plasma processing using a mixture of noble gas and oxygen is a technique that is currently being used to reduce field emission and multipacting in accelerating cavities. Plasma is created inside the cavity when the gas mixture is exposed to an electromagnetic field that is generated by applying RF power through the fundamental power or higher-order mode couplers. Oxygen ions and atomic oxygen are created in the plasma which breaks down the hydrocarbons on the surface of the cavity and the residuals from this process are removed as part of the process gas flow. Removal of hydrocarbons from the surface increases the work function and reduces the secondary emission coefficient. This work describes the initial results of plasma simulation, which provides insight into the ignition process, distribution of different species, and interactions of free oxygen and oxygen ions with the cavity surfaces. The simulations have been done with an Ar/?2 plasma using COMSOL® multiphysics. These simulations help in understanding the dynamics and control of plasma inside the cavity and the exploration of different gas mixtures.

Dhakal, Pashupati↗
DOE OSTI2024

SimCCS 3.0 User GUIDE

Carbon Capture and Storage (CCS) is an important technology aimed at reducing CO 2 emissions and contributing to the mitigation strategies of climate change. The process involves three main steps: CO 2 capture, transport, and storage. Specifically, CO 2 is captured from industrial facilities, such as coal-fired power plants and natural gas processing plants. It is then transported through infrastructure networks, such as pipelines, rails, and ships, and injected into underground geological formations, such as depleted oil and gas reservoirs or deep saline aquifers, for permanent storage. The entire CCS value chain encompasses multiple components, including CO 2 sources, transport networks, and storage sites. The proper design of CCS transport infrastructure is an essential step for the deployment of CCS technology. However, the design is not a trivial process, as it presents many challenges and requires consideration of numerous economic, social, and environmental factors.

42 ENGINEERING↗
DOE OSTI2024

CO2 Capture Using Amines Bound to Silica

One of the main culprits of global warming is the increased amount of carbon dioxide, or CO2, in the atmosphere. NASA's global climate reports a 13% increase in atmospheric CO2 from 2000 to present. Adsorptive CO2 capture by nitrogen groups of amine-containing solvents is one of the most mature technologies deployed in petrochemical and natural gas processing plants to purify industrial gases. However, key challenges in widespread application include solvent induced reactor corrosion, amine degradation, and high regeneration energy for repeated cycling. An alternative approach is to immobilize amines on solid supports. Key performance metrics of solid amine-based CO2 adsorbents include the CO2 adsorption capacity and stability to degradation over hundreds of thousands of regeneration cycles. Our research aims to develop descriptors for CO2 capture capacity and stability against oxygen-induced degradation for amines bound to porous silica supports using experimental and computational techniques. We experimentally measure the change in CO2-uptake using solid amine adsorbents with varying chemical compositions and exposure to varying gas streams and use high-performance computers to simulate the nature and strength of CO2-adsorption and oxidative degradation reaction mechanisms. Insights from our work can facilitate the development of stable solid amine adsorbents for large-scale CO2 capture processes.

amines↗
DOE OSTI2026

A Generalized Grain-Scale Model for the Non-Plasma and Plasma-Assisted Hydrogen Direct Reduction of Iron Ore

Direct Reduction of Iron ore using hydrogen (H-DRI) is a promising pathway towards efficient steelmaking and accurate predictive models are a necessity for scale-up and optimization of this technology. However, accurate models of this process remain limited because existing models oversimplify grain-scale phenomena, such as nonlinearity inside grain, self-sufficient porosity, surface reactions, and the role of plasma species. These phenomena are important for flash steelmaking and plasma-assisted H-DRI processes. To address this need, we present a phenomenological model for simulating H-DRI at the scale of a single micron-sized grain of the iron ore. We call this the Transient Reactive Grain Model (TRGM). TRGM incorporates key physical process: gas species transport, a chemical kinetics of material conversion, nanopore structural evolution and, adsorption-desorption surface kinetics at the reactive nanopore surface. The important contribution of this work is that the model provides a dependence on different reductant species, specifically hydrogen atoms versus molecules, so that role of hydrogen plasma reduction can be clarified compared to the use of pure hydrogen gas reduction. TRGM predictions agree well with experimental data for both molecular H2 reduction of Fe2O3 and plasma hydrogen reduction of Fe3O4. Results reveal species concentration gradients with a diffuse reaction zone, and enhanced hydrogen diffusion at the grain outer surface due to evolving porosity. These findings challenge common assumptions in existing models, including sharp reaction fronts, quasi-steady diffusion and kinetics, and the neglect of surface chemistry. As a generalized grain-scale model for H-DRI processes, TRGM has practical applications in flash steelmaking and in-flight reduction using both molecular and plasma hydrogen.

08 HYDROGEN↗
DOE OSTI2024

Vegetation Warming Experiment: Plant Physiology, Utqiagvik (Barrow), Alaska, 2017

Leaf gas exchange measurements on Petasites frigidus (L.) Fr. following a single season warming treatment. Data were collected in 2017 from 5 treatment warming chambers and paired control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska. Data include CO2 response (ACi) curves, light response (AQ) curves, and dark-adapted respiration (Rdark) logged data measured at controlled leaf temperatures from 5-25 °C. The data package includes 4 data files in .csv format, 10 metadata files and the complete instrument output for all measurements. These data were collected as part of an experiment using Zero Power Warming (ZPW) chambers that delivered a single season warming treatment of ~4 °C above ambient air temperature. Four different plant species were targeted over four experimental years from 2017-2021. See related data packages for processed gas exchange data, leaf trait data (leaf mass per area, leaf nitrogen concentration), ambient and chamber environmental conditions, phenocamera images, thaw depth and GPS locations of chambers. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Vegetation Warming Experiment: Plant Physiology, Utqiagvik (Barrow), Alaska, 2021

Leaf gas exchange measurements on Carex aquatilis Wahlenb. following a single season warming treatment. Data were collected in 2021 from 5 treatment warming chambers and paired control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska. Data include CO2 response (ACi) curves, light response (AQ) curves, and dark-adapted respiration (Rdark) logged data measured at controlled leaf temperatures from 5–25 °C. The data package includes 4 data files in .csv format, 10 metadata files and the complete instrument output for all measurements. These data were collected as part of an experiment using Zero Power Warming (ZPW) chambers that delivered a single season warming treatment of ~4 °C above ambient air temperature. Four different plant species were targeted over four experimental years from 2017–2021. See related data packages for processed gas exchange data, leaf trait data (leaf mass per area, leaf nitrogen concentration), ambient and chamber environmental conditions, phenocamera images, thaw depth and GPS locations of chambers. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Vegetation Warming Experiment: Plant Physiology, Utqiagvik (Barrow), Alaska, 2018

Leaf gas exchange measurements on Arctagrostis latifolia (R. Br.) Griseb. following a single season warming treatment. Data were collected in 2018 from 5 treatment warming chambers and paired control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska. Data include CO2 response (ACi) curves, light response (AQ) curves, and dark-adapted respiration (Rdark) logged data measured at controlled leaf temperatures from 5–25 °C. The data package includes 4 data files in .csv format, 10 metadata files and the complete instrument output for all measurements. These data were collected as part of an experiment using Zero Power Warming (ZPW) chambers that delivered a single season warming treatment of ~4 °C above ambient air temperature. Four different plant species were targeted over four experimental years from 2017–2021. See related data packages for processed gas exchange data, leaf trait data (leaf mass per area, leaf nitrogen concentration), ambient and chamber environmental conditions, phenocamera images, thaw depth and GPS locations of chambers. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Vegetation Warming Experiment: Plant Physiology, Utqiagvik (Barrow), Alaska, 2019

Leaf gas exchange measurements on Eriophorum angustifolium Honck. following a single season warming treatment. Data were collected in 2019 from 5 treatment warming chambers and paired control plots located on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska. Data include CO2 response (ACi) curves, light response (AQ) curves, and dark-adapted respiration (Rdark) logged data measured at controlled leaf temperatures from 5–25 °C. The data package includes 4 data files in .csv format,, and include 4 data files, 10 metadata files and the complete instrument output for all measurements. These data were collected as part of an experiment using Zero Power Warming (ZPW) chambers that delivered a single season warming treatment of ~4 °C above ambient air temperature. Four different plant species were targeted over four experimental years from 2017–2021. See related data packages for processed gas exchange data, leaf trait data (leaf mass per area, leaf nitrogen concentration), ambient and chamber environmental conditions, phenocamera images, thaw depth and GPS locations of chambers. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Optimal Header Design for Diffusion Bonded Heat Exchangers

Microchannel heat exchangers have seen increasing adoption in many high-pressure applications in recent decades but are subject to particulate fouling from the relatively small channel size compared to traditional designs. Typical cleaning methods require process shutdown, heat exchanger removal, cleaning, then reassembly. The objective of this project was to refine and transfer technology to enable header design improvements for Cleaning-in-Place (CIP), allowing for reduced/negligible process interruption for the cleaning process. The technology transfer was from Sandia National Laboratories (Sandia) to Vacuum Process Engineering, Inc. (VPE). This primary purpose of CIP was developed while considering channel flow uniformity and heat exchanger cost. The project phases were to 1) capture and define potential improvement options, 2) evaluate options with both simulation and experiments, and 3) transfer design knowledge to the industry partner. These efforts resulted in improved header designs from the first known focused effort in this area. The improved designs will help the entire microchannel heat exchanger field that has applications in supercritical CO 2 power cycles, hydrogen (fuel cell) vehicle fueling, liquified natural gas processing, and more.

42 ENGINEERING↗
DOE OSTI2023

Extremely large pressure swing adsorption processes for flue gas treatment

The current disclosure provides systems and methods for multiple beds undergoing a feed step at the same time with the same feed flow rate and multiple beds undergoing a light reflux step at the same time with the same light reflux flow rate to process a gas stream in a multi-bed, multi-unit vacuum swing adsorption (VSA) process using reasonably sized beds.

Ritter, James A.↗
DOE OSTI2020

Update on ASME AG-1 and Revision of the DOE Nuclear Air Cleaning Handbook - 20536

The American Society of Mechanical Engineers AG-1 Code on Nuclear Air and Gas Treatment is updated every two years. This paper provides an overview of issues being discussed within AG-1 committee meetings and revisions that will be included in the next version of the code. Additional information is provided on issues being discussed ranging from media velocity limits, control of airflow using actual versus and standard cubic feet per minute. Navigation and identification of applicable high-efficiency particulate air (HEPA) filter code sections can be confusing for those unfamiliar with AG-1. A general reorganization of filtration code sections clarifies geometry, flow, and performance envelopes for nuclear grade HEPA filters. The initial step consists of establishment of Section FN covering qualification of conventional, ceramic, metal, and high strength fibrous glass media. Future filter sections are currently expected to be characterized by geometry and flow direction (axial vs. radial). The Department of Energy's (DOE) Nuclear Air Cleaning Handbook (NACH) is also undergoing revision. An update on the status of that effort, along with issues and changes being considered. The original charter of the AG-1 Code was specific to commercial nuclear power plants, and to safety-related air cleaning systems. This has evolved over the years to include normal non-safety ventilation systems and process gas systems. Corollary guidance for DOE facilities has been available in several editions of the Nuclear Air Cleaning Handbook, starting with ORNL-NSIC 65. The latest edition of the Handbook, 2003, is undergoing revision and modifications. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Beta-Amino Carboxylate (BAC) non-aqueous physical solvents for enhanced CO2 separations in pre-combustion carbon capture, industrial CO 2 capture, and biogas upgrading processes

Novel beta-amino carboxylate (BAC) solvents have been synthesized and tested to efficiently capture carbon dioxide (CO 2 ) from process gas streams with CO 2 partial pressure intermediate between pre-combustion and post-combustion capture. The BAC solvents have molecular structures characterized by alkyl-substituted amides or esters containing a secondary amine functional group on the second carbon from the carbonyl carbon (referred to as the beta “β” carbon). The ester or amide functional group combined with optimal steric crowding around the amine nitrogen by proximate alkyl groups are tailored to modify the strength of CO 2 binding in the solvent. The solvents possess high CO 2 solubilities and high gas selectivity including good CO 2 /H 2 O selectivity and can be utilized for CO 2 absorption over a range of partial pressures. Due to low volatility, many of the solvents can be operated at or above ambient temperature which eliminates solvent chilling and allows regeneration using low grade waste heat. These novel solvents offer an opportunity for efficient carbon capture for a range of applications including biogas upgrading, hydrogen production, and pre-combustion carbon capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bismuthene Under Cover: Graphene Intercalation of a Large Gap Quantum Spin Hall Insulator

Abstract The quantum spin Hall insulator bismuthene, a two‐third monolayer of bismuth on SiC(0001), is distinguished by helical metallic edge states that are protected by a groundbreaking 800 meV topological gap, making it ideal for room temperature applications. This massive gap inversion arises from a unique synergy between flat honeycomb structure, strong spin orbit coupling, and an orbital filtering effect that is mediated by the substrate. However, the rapid oxidation of bismuthene in air has severely hindered the development of applications, so far confining experiments to ultra‐high vacuum conditions. Intercalating bismuthene between SiC and a protective sheet of graphene, this barrier is successfully overcome. As demonstrated by scanning tunneling microscopy and photoemission spectroscopy, graphene intercalation preserves the structural and topological integrity of bismuthene, while effectively shielding it from oxidation in air. Hereby, hydrogen is identified as the critical process gas that was missing in previous bismuth intercalation attempts. These findings facilitate ex‐situ experiments and pave the way for the development of bismuthene based devices, signaling a significant step forward in the development of next‐generation technologies.

Chemistry↗
DOE OSTI2024

Photocatalytic Nitrate Destruction Studies in Complex Environments

One method for denitration of nitric acid used in nuclear facilities is to use formic acid as a reductant. The major problem with formic acid denitration is an induction period of varying duration that may result in excessive accumulation of formic acid at the reaction onset. This accumulation poses an off-gas process control issue. In this talk, we will describe the use of titaniabased photocatalysts for the treatment of nitric acid and nitrate wastes. We find that the photocatalytic process is a simple and straightforward method to completely destroy nitrate ions at room temperature without any initiation period.

nanomaterials↗
DOE OSTI2024

Isotope exchange of ND 3 on Pt catalyst-loaded 13X molecular sieve

During D-T fusion operations the capture, purification, and recycling of unburned tritium will be crucial, as the formation of tritium containing molecules require additional processing. Here, removing the tritium can require costly processing to be unbound from the tritium-containing molecules and improvements to these processes will be necessary moving forward. Existing techniques using sorbent material beds to remove tritium-containing molecules from process gas streams undergo repeated high-heat cycling which leads to diminished bed lifespans, necessitating replacement and associated downtime. This work demonstrates the capture and isotopic exchange technique of deuterated ammonia (ND3), used as a surrogate for tritium, at ambient temperature using a Pt catalyst-loaded 13X molecular sieve. Unmodified 13X molecular sieve is capable of adsorbing and retaining the ND3 however, incorporation of a catalyst facilitates the isotopic exchange of the hydrogen isotopes. The effluent gas streams were analyzed in conjunction with desorbed ammonia isotopologues post-exchange to verify these results. Isotopically exchanging and removing heavier hydrogen isotopes using this technique provides an alternative to traditional removal methods.

08 HYDROGEN↗
DOE OSTI2024

Inhibition of asphaltene aggregation using deep eutectic solvents: COSMO-RS calculations and experimental validation

Asphaltene precipitation/deposition adversely affects various oil and gas processes, such as oil recovery, transportation, and petroleum processing. The resulting increase in viscosity of crude oil decreases distillate yields creating unstable phase separation. Deep eutectic solvents (DESs) have recently gained interest as inhibitors of asphaltene aggregation. The goal of the present study is to derive the mechanism of inhibition of petroleum asphaltene aggregation by a novel screening of DESs. An archipelago-based chemical structure of asphaltene was adopted for performing quantum chemical calculations. The structure was used in the conductor-like screening model for real solvents (COSMO-RS) model to screen potential DESs for asphaltene precipitation. It was found that DESs containing thymol were the most promising of the 153 DES combinations screened. The COSMO-RS predictions were validated experimentally using solubility data of asphaltene in DESs. Among the studied DESs, thymol-diphenyl ether provided the highest solubility for asphaltene, which was further validated using the experimental and the COSMO-RS predicted data. In addition, to characterize the structural interactions between asphaltene and DESs, Fourier transform infrared (FTIR) spectroscopy and nuclear magnetic resonance (NMR) measurements were performed. It was found that strong interaction between asphaltene and the DESs is responsible for the higher asphaltene dispersion. Finally, the present approach opens pathways to rationally design and understand the impact of structural variation of DESs based on their interactions with asphaltene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A PIPS + SrI 2 (Eu) detector for atmospheric radioxenon monitoring

The PIPS–SrI 2 (Eu) is a prototype atmospheric radioxenon detection system designed at Oregon State University in support of international efforts towards monitoring clandestine nuclear weapon testing activities. This detector aims to address some shortcomings found in currently deployed beta–gamma atmospheric radioxenon detection systems, such as lackluster energy resolution and memory effect, by employing modern detection materials and readout. The system uses a PIPSBox, a silicon-based gas cell, for electron detection, and a pair of ultrabright, D-shaped SrI 2 (Eu) scintillators coupled to silicon photomultipliers for photon detection. A custom eight-channel digital pulse processor equipped with a field programmable gate-array (FPGA) identifies electron–photon coincidences between the volumes in near real-time. Gas samples of the four radioxenon isotopes of interest were independently measured with the PIPS–SrI 2 (Eu) detection system to determine energy resolution and efficiency. Application of FPGA-based coincidence discrimination in near real-time reduced the ambient background count rate by 95.85 ± 0.04%. Using parameters from the Xenon International gas processing unit and assuming a blank sample and zero memory effect the minimum detectable concentrations (MDCs) for the isotopes were calculated to be 0.12 ± 0.03, 0.27 ± 0.05, 0.15 ± 0.02, and 1.00 ± 0.08 mBq/m 3 air for 131m Xe, 133 Xe, 133m Xe, and 135 Xe, respectively. These MDC estimates compare well with other radioxenon detection systems employed in the International Monitoring System (IMS) and indicate that the PIPS–SrI 2 (Eu) is in compliance with the Comprehensive Nuclear Test-Ban-Treaty Organization (CTBTO) sensitivity requirement of ≤ 1 mBq/m 3 for 133 Xe.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗