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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Vibration-Induced Droplet Atomization

Thermal management is critical to a number of technologies used in a microgravity environment and in Earth-based systems. Examples include electronic cooling, power generation systems, metal forming and extrusion, and HVAC (heating, venting, and air conditioning) systems. One technique that can deliver the large heat fluxes required for many of these technologies is two-phase heat transfer. This type of heat transfer is seen in the boiling or evaporation of a liquid and in the condensation of a vapor. Such processes provide very large heat fluxes with small temperature differences. Our research program is directed toward the development of a new, two-phase heat transfer cell for use in a microgravity environment. In this paper, we consider the main technology used in this cell, a novel technique for the atomization of a liquid called vibration-induced droplet atomization. In this process, a small liquid droplet is placed on a thin metal diaphragm that is made to vibrate by an attached piezoelectric transducer. The vibration induces capillary waves on the free surface of the droplet that grow in amplitude and then begin to eject small secondary droplets from the wave crests. In some situations, this ejection process develops so rapidly that the entire droplet seems to burst into a small cloud of atomized droplets that move away from the diaphragm at speeds of up to 50 cm/s. By incorporating this process into a heat transfer cell, the active atomization and transport of the small liquid droplets could provide a large heat flux capability for the device. Experimental results are presented that document the behavior of the diaphragm and the droplet during the course of a typical bursting event. In addition, a simple mathematical model is presented that qualitatively reproduces all of the essential features we have seen in a burst event. From these two investigations, we have shown that delayed droplet bursting results when the system passes through a resonance condition. This occurs when the initial acceleration of the diaphragm is higher than the critical acceleration and the driving frequency is larger than the initial resonance frequency of the diaphragm-droplet system. We have incorporated this droplet atomization device into a design for a new heat transfer cell for use in a microgravity environment. The cell is essentially a cylindrical container with a hot surface on one end and a cold surface on the other. The vibrating diaphragm is mounted in the center of the cold surface. Heat transfer occurs through droplet evaporation and condensation on the hot and cold ends of the cell. A prototype of this heat transfer cell has been built and tested. It can operate continuously and provides a modest level of heat transfer, about 20 W/sq cm. Our work during the next few years will be to optimize the design of this cell to see if we can produce a device that has significantly better performance than conventional heat exchangers and heat pipes.

Smith, M. K.↗
DOE OSTI2025

Charge-exchange losses of beam ions in MAST Upgrade: experiments and modelling

Dedicated experiments were performed on MAST Upgrade to study beam-ion losses caused by charge exchange (CX) with edge neutrals. The fuelling was switched from the high-field side to the low-field side mid-discharge. Direct measurements suggest a strong increase in the neutral density around the plasma and a decrease in the beam-ion density, which is qualitatively explained by CX losses. Measurements by a resistive bolometer have suggested particle bombardment during neutral beam injection, providing a unique opportunity to separate CX from other loss mechanisms. To verify and quantify CX losses, the orbit-following code ASCOT, which accounts both for CX neutralization and reionization, was used to simulate beam-particle power loads on the bolometer. Simulations reproduce measured bolometer power loads during high-field-side fuelling, verifying CX losses of approximately 10% of the off-axis beam power. Toroidally symmetric simulations overestimate power loads on the bolometer during low-field-side fuelling, which is explained by toroidal asymmetry in the neutral density distribution, as is demonstrated by toroidally asymmetric simulations. Results suggest significantly higher CX losses during low-field-side fuelling, up to about 50% of off-axis beam power.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Electrochemical Activation of Ni–Fe Oxides for the Oxygen Evolution Reaction in Alkaline Media

The oxygen evolution reaction (OER) is essential to many key electrochemical devices, including H 2 O electrolyzers, CO 2 electrolyzers, and metal−air batteries. NiFe oxides have been historically identified as active for the OER, though they have been less studied in their more commercially relevant bulk oxide forms, such as NiFe 2 O 4 . Past works have demonstrated that the initial starting phase of Ni(Fe) precatalysts can influence their activation to the Ni(Fe)OOH active phase, including the rate and degree of conversion, pointing to the necessity of understanding activation protocols and in situ characteristics of catalyst materials at the device level. In this work, we investigate the characteristics of commercially relevant NiFe bulk oxides (NiFe 2 O 4 and a physical mixture of NiO and γ-Fe 2 O 3 ) during multiple activation procedures. Our results demonstrate that significant performance enhancement is observed for these bulk oxides regardless of the Fe incorporation in the initial form (i.e., atomically or macroscopically integrated), leading to significant performance enhancement (up to 30×) over time on stream. We hypothesize that this activation is due to the formation of NiFeOOH active sites on the surface, supported by in situ cyclic voltammetry and Raman spectroscopy results. We further show that not only the starting material but also the method of activation influences the number of Ni(Fe)OOH active sites formed and suggest that these sites can be quantified from the Ni 2+ to Ni 3+ redox transition using cyclic voltammetry. Broadly, this work demonstrates the necessity of in situ characterization of catalyst materials for cell-level design and testing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Isotope effects on energy transport in the core of ASDEX-Upgrade tokamak plasmas: Turbulence measurements and model validation

Design and operation of future tokamak fusion reactors using a deuterium–tritium 50:50 mix requires a solid understanding of how energy confinement properties change with ion mass. This study looks at how turbulence and energy transport change in L-mode plasmas in the ASDEX Upgrade tokamak when changing ion species between hydrogen and deuterium. For this purpose, both experimental turbulence measurements and modeling are employed. Local measurements of ion-scale (with wavevector of fluctuations perpendicular to the B-field k⊥< 2 cm−1, k⊥ρs< 0.2, where ρs is the ion sound Larmor radius using the deuterium ion mass) electron temperature fluctuations have been performed in the outer core (normalized toroidal flux ρTor=0.65−0.8) using a multi-channel correlation electron cyclotron emission diagnostic. Lower root mean square perpendicular fluctuation amplitudes and radial correlation lengths have been measured in hydrogen vs deuterium. Measurements of the cross-phase angle between a normal-incidence reflectometer and an ECE signal were made to infer the cross-phase angle between density and temperature fluctuations. The magnitude of the cross-phase angle was found larger (more out-of-phase) in hydrogen than in deuterium. TRANSP power balance simulations show a larger ion heat flux in hydrogen where the electron-ion heat exchange term is found to play an important role. These experimental observations were used as the basis of a validation study of both quasilinear gyrofluid trapped gyro-Landau fluid-SAT2 and nonlinear gyrokinetic GENE codes. Linear solvers indicate that, at long wavelengths (k⊥ρs<1), energy transport in the deuterium discharge is dominated by a mixed ion-temperature-gradient (ITG) and trapped-electron mode turbulence while in hydrogen transport is exclusively and more strongly driven by ITG turbulence. The Ricci validation metric has been used to quantify the agreement between experiments and simulations taking into account both experimental and simulation uncertainties as well as four different observables across different levels of the primacy hierarchy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Evaluation of Data Catalog Software for Hanford Site Environmental Datasets

Environmental information and data underpin achievement of the U.S. Department of Energy (DOE) Office of Environmental Management (EM) mission at the Hanford Site. The Hanford Environmental Data Management (HEDM) Program is the DOE Richland Operations Office (RL) approach to develop and implement a formal program for managing environmental data and the associated records, materials, and systems at the Hanford Site. The current project, contract, organization, and contractor-specific efforts at managing environmental data sets are insufficient to provide orderly, long-term, site-wide access. A vital element to be created within the HEDM program plan is a catalog of data sources, called the Hanford Environmental Information and Data Index (HEIDI), that will enable long-term access and retrievability for the multiple independent sources of data that might otherwise be difficult to discover. This report compares leading open source and commercial data catalog platforms using criteria to assess the functionality needed to develop the HEIDI catalog of Hanford data sources that connects and exchanges data with established Hanford Local Area Network (HLAN) enterprise information technology systems. Proprietary platforms evaluated included ArcGIS Enterprise Sites, Junar, OpenDataSoft, and Socrata, and non-proprietary platforms included Energy Data eXchange (EDX), Comprehensive Knowledge Archive Network (CKAN), and DKAN (a Drupal-based open data portal based on CKAN). Capabilities supporting data discoverability, retrieval, and archival, as well as metadata standard requirements and integration into the HLAN were rated as either failing to meet requirements (F), meeting requirements (M), or exceeding requirements by delivering additional desired features (E). The lowest rating for any capability area was assigned as the overall rating for the platform. These findings enable DOE-RL and the contractors implementing the HEDM plan to focus on candidate tools likely to meet the requirements for implementing HEIDI. All of the platforms receiving an overall rating of ‘F’ were unable to be deployed on Hanford infrastructure or within dedicated cloud resources. A propriety software-as-a-service (SaaS) model of delivering a data catalog (e.g., found in software such as Junar and OpenDataSoft) favors consistency across customers at the expense of customization and configurable roles that are needed for Hanford work. Hosting data on a shared commercial platform places limits on dataset size (maximum of 240 Mb for OpenDataSoft), a significant limitation for HEIDI implementation. EDX, a government data catalog based on CKAN, received the ‘F’ rating due to an inability to incorporate authentication from HLAN into the system. Among platforms rated ‘M’ or ‘E’, only the Socrata platform had a SaaS delivery model. In contrast to other SaaS platforms, Socrata provided custom roles and gateways that allow local datasets to be incorporated into an online catalog. Socrata also complies with the Federal Risk and Authorization Management Program, a significant benefit for cloud-based management of Hanford data. The other platforms rated ‘M’ or ‘E’, ArcGIS Enterprise Sites, CKAN, and DKAN, provide fully self-hosted options, allowing for greater control and flexibility with the HEIDI catalog. These widely used tools have supportive communities of practice, extensive customization options, and demonstrated deployments that provide evidence that they can meet requirements, often deliver additional desired features, and work well with federal government systems. Completely customized alternatives built on a collection of applications were not evaluated because achieving similar performance to CKAN or DKAN requires substantial resources, especially in the absence of the active communities that have grown to support these tools. ArcGIS Enterprise Sites, Socrata, CKAN, and DKAN were evaluated as strong candidates for successful implementation with HEIDI.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

Supercritical Water Oxidation (SCWO) Trade Study and 2021 Final Report

SCWO is a promising technology whose main benefits is that it is capable of completely mineralizing organic compounds in wastewater and separating inorganic salts. This means that SCWO can theoretically function as a single step water treatment system. It performs the functions of both the primary treatment system and the secondary brine drying function to achieve near 100% water recovery. It can also handle solids so no pretreatment of the feed is required. A preliminary trade study indicates that SCWO could be competitive with the ISS state of the art if its power consumption could be reduced. Thermal and mechanical energy recovery system exist that could reduce SCWO energy consumption to a level that is competitive with the state of the art. In addition, increasing the feed wastewaters organic content by including other wastes, such as feces, could produce a reactor that is thermally self-sustaining. There are 5 different types of SCWO reactors. They are; tubular, tank, impingement, transpiring wall reactors (TWR) and super critical water mixing (SCWM) reactors. Of these the best suited for NASA missions are the impingement and SCWM reactors. The impingement reactor is best suited for near term missions because it can treat the low organic content wastewaters such as are expected for initial Lunar and Mars missions and has the ability to remove precipitated inorganic solids. The SCWM reactor is best suited for longer duration CELSS type missions where high organic content wastewater is available and will resolve solids fouling and corrosion issues. In addition, these two reactors have a long NASA heritage and have been developed specifically for space flight application. Tubular reactors suffer from plugging issues which is a safety concern. Tank reactors will increase in size inversely with gravity, which will trade poorly in Lunar and Mars environments where gravity is reduced. TWR reactors require high organic content wastewater feed and the SCWM reactor is an optimized version of the TWR for NASA applications. It is recommended that in FY 2022 NASA continue to fully evaluate the ability of SCWO to produce potable water and remove inorganics as a solid byproduct. This should be done using the impingement reactor for near term missions and SCWM for longer duration missions. NASA should also develop optimized recuperative heat exchangers and pressure recovery devices to reduce power consumption and investigate inclusion of feces and other organic wastes into the wastewater model to increase its organic content and further reduce thermal energy requirements.

Supercritical Water Oxidation↗
DOE OSTI2025

Elucidating ion capture and transport mechanisms of Preyssler anions in aqueous solutions using biased MACE-accelerated MD simulations

Equilibrium and biased multi-atomic cluster expansion (MACE) accelerated molecular dynamics (MD) simulations in aqueous solutions are performed to investigate the ion capture and transport mechanisms of the {P 5 W 30 } Preyssler anion (PA) as the smallest representative member of the extended polyoxometalate (POM) family with an internal cavity. The unique interatomic interactions present in the internal cavity vs the exterior of PA are carefully investigated using equilibrium MACE MD simulations for two representative Na(H 2 O)@PA and Na@PA complexes in aqueous solutions. Our careful analyses of radial distribution functions and coordination numbers show that the presence of confined water in Na(H 2 O)@PA has profound modulating effects on the nature of the interactions of the encapsulated ion with the oxygens of the PA cavity. Using well-converged MACE-accelerated multiple walker well-tempered metadynamics simulations with nanosecond timescales, two different associative (ion exchange) and dissociative (ion ejection) ion transport mechanisms were carefully investigated for Na + as one of the most abundant and representative ions present in seawater and saline solutions. By comparing systems with and without confined water, it was found that the presence of only one pre-encapsulated confined water in Na(H 2 O)@PA dramatically changes the free energy landscape of ion transport processes. It was also found that the contraction and dilation of the two windows present in PA directly influence the Na + and H 2 O transport. Furthermore, the results from this work are helpful, as they show a viable path toward tuning the ion exchange and transport phenomena in aqueous solutions of POM molecular clusters and frameworks.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Electric Sail Design Sensitivities

Electric Sails (E-Sails) are a promising propulsion technology that seek to enable high characteristic propellentless acceleration for spacecraft to reach distant and/or difficult to reach orbits such as rapid transit to heliopause. The E-Sail system exchanges momentum by using positively charged electrostatic tethers to repel solar wind photons to push it through space. This concept was first theorized by Pekka Janhunen in 2004 with further developments occurring including a NASA Innovative Advanced Concepts Phase 1 and Phase 2 hosted out of NASA’s Marshall Space Flight Center (MSFC). These developments led to further maturation of the overall system, and this paper is designed to help identify different design sensitivities of an integrated Electric Sail system. To approach this, a small team at MSFC took an in-house developed three degrees of freedom (3DoF) simulation tool and a trajectory modelling tool to look at different design parameters and to determine a potential ideal E-Sail configuration. An E-Sail system has different design architectures including a barbell design, hub and spoke design, and a potential hybrid solution. The barbell design features two equally massed satellites that spin around a central point in the tether system. The hub and spoke design features a large central spacecraft with small end spacecraft to aid in formation control of the overall E-Sail system. Leveraging elements from both the hub and spoke, and barbell design, a hybrid option exists where one could have a larger central mass and one or two tethers extended to a smaller end mass [2]. In summary, the hub and spoke design is the ideal configuration for E-Sail with tethers spanning kilometers to achieve the designed design characteristic acceleration of at least one mm/s2 with this architecture being the focus of this study. Different key design parameters were varied as part of this study. These parameters include the total number of tethers, the length of the tethers, spin rate, relative spacecraft mass, tether voltage, inertia per tether, and impact of slew rate changes. These results started from an internal MSFC technology demonstration mission design and then the parameters were varied with engineering judgement to ensure that the results were consistent with expected results. These were varied in the MSFC 3DoF tool and compared to baseline results to generate a candidate ideal E-Sail design system. These results were then used to help inform the mission analysis design for the system. The 3DoF trajectory optimization was performed in the Astrodynamics and Space Science Enabling Toolbox (ASSET) and utilized collocation optimization of control vector pointing with the objective function being transfer duration. A representative model of the E-Sail force was derived as a function of the Sun-pointing vector direction. This model was initialized with a zero Sun Incidence Angle (SIA) trajectory for the initial guess generation, then with a portion of the mission optimized SIA time history for fast outbound transfers. After the trajectory is hyperbolic relative to a heliocentric frame, the SIA is maintained at 0 degrees except for any needed trajectory correction maneuvers. This trajectory optimization looked at different characteristic acceleration values to analyze the impact it had on mission performance. As a result of this study, the team can best inform mission designers and technology development efforts to mature the E-Sail system. This study will allow mission designers to have defined rules-of-thumb to design an E-Sail system to meet desired mission needs as well as providing several sample mission profiles. These design drivers will inform maturation efforts on which design requirements to consider for an integrated E-Sail design.

E-Sail↗
DOE OSTI2017

Electrochemical and Thermodynamic Properties of U in LiCl-KCl-UCl{sub 3} salt system

Pyro-processing technology has been considered and examined by several countries as a promising method for the recovery and recycle of uranium and actinide elements from used nuclear fuel. One of the key processes in pyro-processing is an electro-refiner (ER) where the metallic fission products are loaded into an anode basket and dissolved into lithium-potassium chloride (LiCl-KCl) eutectic salt at 773 K. Many researchers have been exploring the fundamental characterizations of U in LiCl-KCl system by using various electrochemical methods, resulting in several reported values of diffusion coefficient, apparent standard potential, and activity coefficient of U in the salt system. In addition, several researchers measured kinetic parameter of U (exchange current density, i{sub 0}) by using Tafel and linear polarization (LP) methods. Despite available data sets on this ternary salt system, there are discrepancies due to different experimental conditions, design, size of the cell, and measurement techniques. In addition, the i{sub 0} for U/U{sup 3+} reaction has only been measured since 2009; therefore, only few data sets are available to date although the i{sub 0} is critical for the development of dynamic ER model. The value of i{sub 0} is a kinetic characteristic in an ideal equilibrium state; therefore, it is very challenging to be measured by experiments. The authors have estimated the values of i{sub 0} via Tafel and linear polarization methods (LP); however, these methods are lack of maintaining electrode surface area during the measurements. In addition, some data are not following the trends from other literature studies due to its difficulties of the measurement. Therefore, further experimental determinations have to be accomplished to understand the i{sub 0} kinetics and the database for the i{sub 0} of U/U{sup 3+} couple in LiCl-KCl eutectic salt needs to be established systematically. In the present study, an experimental setup was designed and used in a consistent manner to build a meaningful database for U in LiCl-KCl system. LiCl-KCl-UCl{sub 3} salt was prepared at different concentrations and temperatures ranging from 0.5 wt% to 4 wt% and 723 K to 798 K, respectively. Then, CV, open circuit potential (OCP), and electrochemical impedance spectroscopy (EIS) were performed to understand the electrochemical, thermodynamic, and kinetic properties of U. Specially, i{sub 0} values have not been measured via EIS method; therefore, this study provides a good chance to confirm the i{sub 0} values with the new technique.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Kokes Awards for the 25th North American Catalysis Society Meeting

The biennial North American Catalysis Society (NACS) meeting is the premiere conferences in the area of catalysis, surface science, and reaction engineering. The 25th installment of this meeting will be held the week of June 4-9, 2017 in Denver, CO at the Hyatt Regency Hotel. Meeting objectives include bringing together leading researchers for intensive scientific exchange, providing students with an opportunity to present their work and interact with leaders in the field, and participate in service to scientific/technical community. Financial support to offset a portion of the associated costs – and specifically, registration fees, airline tickets, and hotel accommodations – encourages greater participation by graduate and undergraduate students, and often provides them the only opportunity to attend and meaningfully contribute to the conference. The funds sought in this proposal will be in support of the Richard J. Kokes Travel Award program. The eligibility criteria for undergraduates and graduate students applying for a merit-based Awards are that they must study at a university within the United States and present either a poster or presentation at the meeting. In the previous meeting in Pittsburgh, NACS received 200 applications and funded 110 students. Similarly, during the meeting in Louisville, NACS received 225 applications and funded nearly half of them. The NACS has an on-going tradition of encouraging graduate students (and more recently, undergraduates as well) to participate in and serve at the national meetings Providing financial support is one of the most effective means of accomplishing this goal. Their attendance significantly broadens their scientific training beyond what can be accomplished in the classroom, and offers them an opportunity to improve their communication and presentation skills. As an attendee to the 25th NAM, students will participate by listening to presentations from leading researchers from the U.S. and abroad, and they will be able to interact with them and receive invaluable advice regarding their research and future career. They will be able to meet with and debate with their peers from other universities, and learn about results from the latest technological innovations that could benefit their own research projects. Through their own service at the meeting – a requirement of the Kokes Travel Award – they will become active participating members of the catalysis community. The graduate and undergraduate students of today are the scientists and engineers of tomorrow. Proper training for them now leads to scientific breakthroughs and technological innovations in the future, and these in turn benefit the US economy. Catalysis permeates numerous aspects of our lives, and advances in the field result in more energy-efficient and environmentally-friendly chemical processes (e.g., catalytic convertors), improved fuel cell and battery performance and lifetimes, efficient alternative fuel and hydrogen production, enhanced utilization of biorenewable resources, and a cleaner environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Materials Science Research Rack Onboard the International Space Station Hardware and Operations

The Materials Science Research Rack (MSRR) is a research facility developed under a cooperative research agreement between NASA and ESA for materials science investigations on the International Space Station (ISS). MSRR was launched on STS-128 in August 2009, and is currently installed in the U.S. Destiny Laboratory Module. Since that time, MSRR has performed virtually flawlessly, logging more than 620 hours of operating time. The MSRR accommodates advanced investigations in the microgravity environment on the ISS for basic materials science research in areas such as solidification of metals and alloys. The purpose is to advance the scientific understanding of materials processing as affected by microgravity and to gain insight into the physical behavior of materials processing. MSRR allows for the study of a variety of materials including metals, ceramics, semiconductor crystals, and glasses. Materials science research benefits from the microgravity environment of space, where the researcher can better isolate chemical and thermal properties of materials from the effects of gravity. With this knowledge, reliable predictions can be made about the conditions required on Earth to achieve improved materials. MSRR is a highly automated facility with a modular design capable of supporting multiple types of investigations. Currently the NASA-provided Rack Support Subsystem provides services (power, thermal control, vacuum access, and command and data handling) to the ESA developed Materials Science Laboratory (MSL) which accommodates interchangeable Furnace Inserts (FI). Two ESA-developed FIs are presently available on the ISS: the Low Gradient Furnace (LGF) and the Solidification and Quenching Furnace (SQF). Sample-Cartridge Assemblies (SCAs), each containing one or more material samples, are installed in the FI by the crew and can be processed at temperatures up to 1400 C. Once an SCA is installed, the experiment can be run by automatic command or science conducted via telemetry commands from the ground. Initially, 12 SCAs were processed in the first furnace insert for a team of European and US investigators. After these samples were processed the Furnaces Inserts were exchanged and an additional single sample was processed. The processed samples have been returned to Earth for evaluation and comparison of their properties to samples similarly processed on the ground. A preliminary examination of the samples indicates that the majority of the desired science objectives have been successfully met leading to significant improvements in the understanding of alloy solidification processes. Six SCAs were launched on Space Shuttle Mission STS-135 in July 2011 for processing during the Fall of 2011. Additional batches are planned for future processing. This facility is available to support additional materials science investigations through programs such as the US National Laboratory, Technology Development, NASA Research Announcements, and others.

Lehman, John R.↗
DOE OSTI2014

Novel Supercritical Carbon Dioxide Power Cycle Utilizing Pressured Oxy-combustion in Conjunction with Cryogenic Compression

The team of Southwest Research Institute ® (SwRI) and Thar Energy LLC (Thar) applied technology engineering and economic analysis to evaluate two advanced oxy-combustion power cycles, the Cryogenic Pressurized Oxy-combustion Cycle (CPOC), and the Supercritical Oxy-combustion Cycle. This assessment evaluated the performance and economic cost of the two proposed cycles with carbon capture and included a technology gap analysis of the proposed technologies to determine the technology readiness level of the cycle and the cycle components. The results of the engineering and economic analysis and the technology gap analysis were used to identify the next steps along the technology development roadmap for the selected cycle. The project objectives, as outlined in the FOA, were 90% CO 2 removal at no more than a 35% increase in cost of electricity (COE) as compared to a Supercritical Pulverized Coal Plant without CO 2 capture. The supercritical oxy-combustion power cycle with 99% carbon capture achieves a COE of $\$$121/MWe. This revised COE represents a 21% reduction in cost as compared to supercritical steam with 90% carbon capture ($\$$137/MWe). However, this represents a 49% increase in the COE over supercritical steam without carbon capture ($\$$80.95/MWe), exceeding the 35% target. The supercritical oxy-combustion cycle with 99% carbon capture achieved a 37.9% HHV plant efficiency (39.3% LHV plant efficiency), when coupling a supercritical oxy-combustion thermal loop to an indirect supercritical CO 2 (sCO 2 ) power block. In this configuration, the power block achieved 48% thermal efficiency for turbine inlet conditions of 650°C and 290 atm. Power block efficiencies near 60% are feasible with higher turbine inlet temperatures, however a design tradeoff to limit firing temperature to 650°C was made in order to use austenitic stainless steels for the high temperature pressure vessels and piping and to minimize the need for advanced turbomachinery features such as blade cooling. The overall technical readiness of the supercritical oxy-combustion cycle is TRL 2, Technology Concept, due to the maturity level of the supercritical oxy-combustor for solid fuels, and several critical supporting components, as identified in the Technical Gap Analysis. The supercritical oxycombustor for solid fuels operating at pressures near 100 atm is a unique component of the supercritical oxy-combustion cycle. In addition to the low TRL supercritical oxy-combustor, secondary systems were identified that would require adaptation for use with the supercritical oxycombustion cycle. These secondary systems include the high pressure pulverized coal feed, high temperature cyclone, removal of post-combustion particulates from the high pressure cyclone underflow stream, and micro-channel heat exchangers tolerant of particulate loading. Bench scale testing was utilized to measure coal combustion properties at elevated pressures in a CO 2 environment. This testing included coal slurry preparation, visualization of coal injection into a high pressure fluid, and modification of existing test equipment to facilitate the combustion properties testing. Additional bench scale testing evaluated the effectiveness of a rotary atomizer for injecting a coal-water slurry into a fluid with similar densities, as opposed to the typical application where the high density fluid is injected into a low density fluid. The swirl type supercritical oxy-combustor was developed from initial concept to an advanced design stage through numerical simulation using FLUENT and Chemkin to model the flow through the combustor and provide initial assessment of the coal combustion reactions in the flow path. This effort enabled the initial combustor mechanical layout, initial pressure vessel design, and the conceptual layout of a pilot scale test loop. A pilot scale demonstration of the supercritical oxy-combustion cycle is proposed as the next step in the technology development. This demonstration would advance the supercritical oxy-combustion cycle and the supercritical oxy-combustor from a current TRL of 2, Technology Concept, to TRL 6, Pilot Scale System Demonstrated in a Relevant Environment, and enable the evaluation and continued refinement of the supercritical oxy-combustor and critical secondary systems.

42 ENGINEERING↗
DOE OSTI2018

An Integrated Supercritical System for Efficient Produced Water Treatment and Power Generation

The main goal of this project was to evaluate the feasibility of an integrated supercritical (SC) water desalination and power generation system for treatment of produced waters from CO 2 sequestration, oil production, and coal-bed methane recovery. This system may offer a transformative approach to generating power from coal or natural gas (NG) and purifying saline water or produced water with high total dissolved solids (TDS) in a zero-liquid discharge plant. The closed-loop steam cycle of conventional power plants was replaced with an open-loop steam cycle that heated the pretreated produced water above the SC point of water (374 °C and 221 bar) to precipitate and separate the salts dissolved in the water. After separation of the precipitated salt, the SC steam required further treatment to reduce the salt content from ~100 mg/L (ppm) to <1 ppm to make it suitable for use in turbines for power generation. A SC membrane distillation unit was used to polish the SC steam, which could be sent through a series of turbines for power generation, and the steam exiting the low-pressure turbine could be condensed by cooling water to produce pure water. Project tasks included a process simulation and a techno-economic evaluation of the integrated system; design and assembly of SC salt precipitation and membrane distillation systems; development and characterization of advanced carbon membranes for SC membrane distillation; and pretreatment, desalination, and purification of different produced water samples with salt concentrations of 30,000–200,000 ppm to a high-purity (<1 ppm) level. Process simulations were performed for 550 MW SC coal-fired or NG baseline cases and various scenarios for the proposed integrated SC system using produced water as the water source and coal or NG as the fuel source. Simulation results indicated that the net plant efficiency loss of the proposed SC cogeneration process would be in the range of <1% to ~4%, in which NG and lower TDS produced water cases would have higher efficiencies. The proposed process for coal-fired cases could provide all water needs for the power generation process and generate additional pure water for beneficial use. A techno-economic analysis was performed to estimate the cost of produced water treatment (dollars /kgal of treated water) by conventional treatment processes compared with the proposed cogeneration process. The cost estimation for the proposed cogeneration system included the cost of pretreatment, the cost of power loss to integrate the water desalination process into the power generation system, and the cost of plant modification or retrofitting. The cost of produced water treatment was calculated by assuming three different scenarios in which converting a baseline power plant to the proposed cogeneration plant would increase the cost of the boiler and feed water system by 10%, 50%, and 100%. Results indicated that the cost of produced water treatment, even with a 100% cost increase, was in the range of $8.6–11.6 dollars per kgal, which is about half of the treatment cost by conventional methods. The cost of produced water treatment by the proposed cogeneration system could be further reduced or a considerable income could be generated if the values of saltwater and freshwater products are considered. Overall, the techno-economic analysis results indicated that the proposed integrated SC system could potentially treat produced water at a cost significantly lower than the cost of produced water treatment by conventional technologies. To evaluate the feasibility of the proposed treatment system at a laboratory scale, a SC salt precipitation and membrane distillation system was designed and fabricated to treat a simulated brine or pretreated produced water by precipitating salts and further polishing the SC steam containing ~100 ppm salts to a high-purity steam. Through baseline tests with NaCl solutions, with concentrations ranging from 30,000 to 200,000 ppm, it was demonstrated that concentrated feed solutions could be treated by precipitating salt at SC conditions to a TDS level of 130 ppm. Produced water samples were collected from a potential CO 2 sequestration site, a coal-bed methane site, and an oilfield in Illinois. Representative samples were characterized for various water quality parameters, including pH; turbidity; conductivity; and concentrations of selected anions, cations, alkalinity, dissolved organic carbon, total suspended solids, TDS, and total petroleum hydrocarbons. The produced water samples were first treated by conventional pretreatment methods to remove residual oil, dissolved organic matter, and scale-forming species. Pretreatment methods included coagulation, sedimentation, filtration, activated carbon adsorption, and ion-exchange adsorption. Pretreated produced waters were treated at SC conditions in which salts were precipitated. Analysis of treated samples revealed that the concentration of Na (the main cation) in produced waters was reduced dramatically from 14,000–47,400 ppm in the feed to 21–80 ppm in treated waters. Concentrations of other main cations (Ca, Mg, Sr, K) also decreased significantly from initial values of ~1,000–22,000 ppm to ~1 ppm or less. However, a significant increase in the concentrations of Fe, Ni, Cu, and Co was observed, mainly caused by leaching of these elements from the system (vessels, filters, tubing), which is manufactured from alloys containing Fe, Ni, Cu, and Co. To polish the SC steam containing a salt content of ~100 ppm to a high-purity level of <1 ppm, a SC membrane distillation treatment using carbon membranes was employed. Different types of self-standing or supported carbon membranes were developed from graphite, graphene, carbon nanotubes, carbon nanofibers, and pyrolytic carbon. Screening tests revealed that only a limited number of developed carbon membranes were suitable for the purification of steam at SC conditions. Membranes that were either fragile and lacked mechanical strength or had large pores and showed limited salt rejection (<20%) were found to be unsuitable for the purification of SC steam. Promising carbon membranes that were successfully tested for purifying SC steam included two graphite membranes (i.e., AF-5, a porous graphite material, and FGS, a flexible graphite sheet) and a carbon nanotube membrane grown on a Hastelloy substrate and then further modified using a proprietary method (i.e., membrane C). The AF-5 membrane exhibited a stable water flux of ~50 kg/m 2 ∙h and ~40% salt rejection. The FGS membrane had a high salt rejection of 95%–98% but a lower water flux of ~15 kg/m 2 ∙h. Membrane C showed an extremely high flux of 200-800 kg/m 2 ∙h, which is one order of magnitude higher than the water flux of conventional membranes. Membrane C also exhibited 87%–93% salt rejection. Overall, a two-stage or multistage polishing treatment by these membranes could lower the salt content of the SC steam from initial values of ~100–200 ppm to the steam quality of <1 ppm or to parts per billion levels required for the power cycle.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2013

Treatment of Irradiated Graphite from French Bugey Reactor - 13424

Beginning in 2009, in order to determine an alternative to direct disposal for decommissioned irradiated graphite from EDF's Bugey NPP, Studsvik and EDF began a test program to determine if graphite decontamination and destruction were practicable using Studsvik's thermal organic reduction (THOR) technology. The testing program focused primarily on the release of C-14, H-3, and Cl-36 and also monitored graphite mass loss. For said testing, a bench-scale steam reformer (BSSR) was constructed with the capability of flowing various compositions of gases at temperatures up to 1300 deg. C over uniformly sized particles of graphite for fixed amounts of time. The BSSR was followed by a condenser, thermal oxidizer, and NaOH bubbler system designed to capture H-3 and C-14. Also, in a separate series of testing, high concentration acid and peroxide solutions were used to soak the graphite and leach out and measure Cl-36. A series of gasification tests were performed to scope gas compositions and temperatures for graphite gasification using steam and oxygen. Results suggested higher temperature steam (1100 deg. C vs. 900 deg. C) yielded a practicable gasification rate but that lower temperature (900 deg. C) gasification was also a practicable treatment alternative if oxygen is fed into the process. A series of decontamination tests were performed to determine the release behavior of and extent to which C-14 and H-3 were released from graphite in a high temperature (900-1300 deg. C), low flow roasting gas environment. In general, testing determined that higher temperatures and longer roasting times were efficacious for releasing H-3 completely and the majority (80%) of C-14. Manipulating oxidizing and reducing gas environments was also found to limit graphite mass loss. A series of soaking tests was performed to measure the amount of Cl-36 in the samples of graphite before and after roasting in the BSSR. Similar to C-14 release, these soaking tests revealed that 70-80% Cl-36 is released during roasting tests. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Ion temperature clamping in Wendelstein 7-X electron cyclotron heated plasmas

The neoclassical transport optimization of the Wendelstein 7-X stellarator has not resulted in the predicted high energy confinement of gas fueled electron-cyclotron-resonance-heated (ECRH) plasmas as modelled in (Turkin et al 2011 Phys. Plasmas 18 022505) due to high levels of turbulent heat transport observed in the experiments. The electron-turbulent-heat transport appears non-stiff and is of the electron temperature gradient (ETG)/ion temperature gradient (ITG) type (Weir et al 2021 Nucl. Fusion 61 056001). As a result, the electron temperature T e can be varied freely from 1 keV–10 keV within the range of P ECRH = 1–7 MW, with electron density n e values from 0.1–1.5 × 10 20 m –3 . By contrast, in combination with the broad electron-to-ion energy-exchange heating profile in ECRH plasmas, ion-turbulent-heat transport leads to clamping of the central ion temperature at T i ~ 1.5 keV ± 0.2 keV. In a dedicated ECRH power scan at a constant density of $\langle n_{e} \rangle$ = 7 × 10 19 m –3 , an apparent 'negative ion temperature profile stiffness' was found in the central plasma for (r/a < 0.5), in which the normalized gradient ∇T i /T i decreases with increasing ion heat flux. The experiment was conducted in helium, which has a higher radiative density limit compared to hydrogen, allowing a broader power scan. This 'negative stiffness' is due to a strong exacerbation of turbulent transport with an increasing ratio of T e /T i in this electron-heated plasma. This finding is consistent with electrostatic microinstabilities, such as ITG-driven turbulence. Theoretical calculations made by both linear and nonlinear gyro-kinetic simulations performed by the GENE code in the W7-X three-dimensional geometry show a strong enhancement of turbulence with an increasing ratio of T e /T i . The exacerbation of turbulence with increasing T e /T i is also found in tokamaks and inherently enhances ion heat transport in electron-heated plasmas. This finding strongly affects the prospects of future high-performance gas-fueled ECRH scenarios in W7-X and imposes a requirement for turbulence-suppression techniques.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Dehydration of Methyl Lactate on Alkali Cation-Exchanged Faujasite: Effects of Metal Cation Identity and Water Pressure

Turnover rates for the catalytic dehydration of methyl lactate (ML) over ion-exchanged faujasite (FAU) catalysts depend on the identity of alkali metal cations (Na + , K + , Cs + ) and local solvation effects. Analysis of rate measurements and in situ infrared spectroscopy gives evidence that the reaction involves kinetically relevant dissociation of adsorbed methyl lactate upon alkali metal cations. This process involves concerted methyl transfer to the surface and dissociation of the alkali metal from the framework, which occurs at cationic active sites that remain predominantly unoccupied under relevant conditions (0.5–10 kPa ML, 0.5–15 kPa H 2 O, 563–583 K). Despite the mechanistic similarities, apparent activation enthalpies (ΔH app ‡ ) decrease linearly (47 kJ mol –1 from Na + to Cs + ) with ionization energy and cationic radius, and apparent activation entropies (ΔS app ‡ ) decrease 74 J mol –1 K –1 . These trends reflect electrostatic interactions that stabilize the cations to the anionic sites on the zeolite: stronger association between these charges leads to increasingly endothermic processes to displace the alkali metal to form a cationic methoxy and an intrapore metal lactate intermediate. Water physisorption measurements suggest alkali metal ions bind superstoichiometric quantities of water within FAU pores, and in situ infrared spectra suggest the concerted adsorption of ML requires reorganization of this water. Consequently, these processes introduce entropic gains that partially offset entropy losses associated with ML adsorption. Hence, turnover rates differ only by a factor of 2 among Na-, K-, and Cs-FAU at 573 K (ΔΔG app ‡ = 5 kJ mol –1 ). These findings demonstrate the interplay of alkali metal ions with zeolite active sites and intrapore water clusters for ML dehydration, indicating that these interactions can be leveraged to deliver optimal performance under different reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

NASA Electric Vertical Takeoff and Landing (eVTOL) Aircraft Technology for Public Services – A White Paper

History has shown that our personal life is highly dependent on the technology that people have developed. A strategic scan of the aerospace environment at the beginning of the 21st century strongly suggests that the world might be approaching a new age of airpower—the era of electrified/hybrid aircraft propulsion. Undeniably, starting from the Montgolfier Brothers balloon flight in 1783, to the Wright Brothers piston engine flight in 1903, and the jet engine of the 1960s, or the space age of today, one can say that leaps in propulsion technology have marked the different ages of human flight. The technological advancements, brought at the beginning of 21st century by the revolution in data exchange, computational power, sensors, wireless communication, internet, and autonomy, contributed to the vision of this new age of propulsion we are approaching. Historically, conventional vertical takeoff and landing (VTOL) aircraft have been equipped with propulsion units relying on complex internal combustion machines (turbines, piston engines, for example), and complex mechanical arrangements (gearboxes, shafts, variable pitch propeller). By contrast, electric VTOL aircraft (eVTOL)1 rely on simpler propulsion units (electric motors and in some cases fixed-pitch propellers). This promotes redundancy and improves tolerance to failures, in turn improving safety. The use of simpler electric propulsion units should also allow significant acquisition and operating cost reductions. Whether full-electric (relying solely on batteries) or hybrid-electric (relying on a combination of batteries, fuel-powered engines, and generators.), eVTOLs are also expected to generate less noise and air pollution than conventional aircraft with similar payloads. According to the 2019 Annual Review of IATA (International Air Transport Association) [ref.1], due to an expected increase in air transport traffic by 5% every year and a doubling of air transport passenger numbers to 8.2 billion by 2037 significant challenges are posed to the aviation industry. Furthermore, this report does not factor in the expected demand for short-range (intra-city) air transportation, which is in development and yet to be operational. The increased demand to fly creates a responsibility to expand in a sustainable manner and an endeavor to develop more environmentally-friendly aircraft. eVTOL aircraft, either piloted or autonomous, is gathering considerable interest worldwide. Modern and novel full-electric or hybrid-electric eVTOL configurations enable a new paradigm shift in air transportation as the aviation industry remains committed to its goals of carbon-neutral growth from 2020 onwards and cutting CO2 emissions to half 2005 levels by 2050. While electric power has been used for decades, recent developments in mobile electric/hybrid propulsion coupled with advanced materials and autonomous systems may create the possibility to transition into the next age of air mobility propelled by electric/hybrid VTOL aircraft technology. Although eVTOL aircraft might seem like an incremental improvement or even a counterintuitive regression with regard to past VTOL development, it has in fact the potential to transform air mobility across a wide range of government applications. Previous transformations in aviation generated dramatic leaps in performance, but the cost was commensurate with performance, limiting quantity produced. This next age appears to take a different approach. Performance may not increase, but at this moment technology is poised for future urban mobility that will spawn commercial passenger drone services, that is, autonomous (pilotless) air taxis and thereby add a new dimension to the urban transportation mix of the future [ref. 2]. Advances in electric propulsion, autonomous flight technology, and 5G communication networks will enable this fast new-growing market to become a reality. It is now time to envision the introduction of electric/hybrid eVTOL aircraft for Public Services2. We believe that in the next decades eVTOL aircraft will have the potential to become an essential tool to Public Service agencies around the world in applications such as firefighting, public safety, search and rescue, disaster relief and law enforcement. This is due to several major factors. • First, with the increasing popularity of small, unmanned aircraft vehicles (UAVs) or drones, many companies today are focusing on the development of passenger UAVs designed to accommodate up to five passengers or equivalent cargo payload. Many such configurations are electric or hybrid-electric designs with VTOL capabilities. Several of these projects have started a flight test program and many more are expected to be in the experimental and development phase in 2020. Such revolutionary vehicles could be in commercial operations by 2030. These eVTOL systems could be ready for selected Public Services missions even sooner. • Second, although these advanced eVTOL vehicles under development still need access to fuel (hybrid) and/or electric charging capability, they can take off and land from almost anywhere. Therefore, such vehicles, both manned and unmanned can be successfully integrated for the critical missions of the Public Services with extra deployment flexibilities. • Third, advancement in electric propulsion systems in the automotive industry together with NASA’s leading efforts in electrification of aircraft propulsion systems, FAA’s ongoing active eVTOL certification programs, and EASA’s proposed framework for the certification of electric/hybrid small category VTOL aircraft in Europe [ref. 3] will help accelerate industry electric propulsion system development and integration. • Finally, eVTOL vehicles could be deployed for Public Services sooner than air taxi or other commercial applications, since Public Services missions may be more easily approved based on specific mission criteria, localized airworthiness authority for public-use aircraft3, and are normally operating under centralized airspace management and control by the theater command. Moreover, public perception and acceptance are generally less of a concern when operations save lives and benefit the wider community. The prioritized introduction of eVTOL aircraft in Public Services is ambitious, but we believe it is achievable in the coming decades if fundamental enablers (people and technologies) are engaged in defining the objectives and needs of these missions. The revolution that is currently taking place in eVTOL aircraft represents an unprecedented opportunity to develop a safer, more affordable, more available and more environmentally friendly future of vertical flight. To ensure that these novel aircraft meet the future expectations of Public Services, it is essential to take a collaborative and multi-disciplinary approach to their development, across engineering disciplines, policy-making, program management, business case development, manufacturing, and flight demonstrations. It should be noted that the term eVTOL (in the near term) used throughout this publication implies aircraft capable of transporting up to 5 persons which may or may not include a pilot if operated fully autonomously, assuming an average of 200 pounds (91 kg) per person or equivalent payload and a range up to 60 miles plus a suitable reserve. Hybrid or hydrogen powered eVTOLs would have greater range. For example, a “3-seat” eVTOL aircraft may only be able to carry two fully equipped firemen, and payload capacity is more relevant when used for the supply mission. Moreover, this paper concentrates on the “last-mile” solutions with a deployment time of no more than 6 hours. Although not specifically discussed in this document, it is understood that the future of Transformative Vertical Flight in general and Public Services, in particular, will also involve smaller UAVs that will undoubtedly play a crucial role in future aerial operations. For example, smaller unmanned aircraft may be used to dispatch medical supplies, portable filtration systems or perform the Search task of future Search and Rescue (SAR) operations. Close collaboration between the aircraft industry, the Civil Aviation Authorities (CAA), e.g., Federal Aviation Administration (FAA), European Aviation Safety Agency (EASA), Transport Canada Civil Aviation (TCCA) and the Department of Defense (DoD) certifiers, will help identify Public Services requirements, define expectations and limit development cost and timescales. Take the US Air Force Agility Prime as an example, the majority of the eVTOL application opportunities and mission elements identified are in line with the NASA TVF WG-4 objectives and use cases. Together, it forms a strong partnership to accelerate the development, certification, and practical deployment for public service missions. The US Air Force Agility Prime has been a collaboration partner on this white paper, and provided valuable input and recommendations. Most of the eVTOL public service mission elements discussed in this paper and additional use cases envisioned by the NASA TVF WG-4 team are shared by the Agility Prime program. The focus and efforts of the Agility Prime in product and system development, industry and government partnership, accelerated certifications as well as early test and deployment are totally in sync with the path forward recommended by this white paper. This kind of collaboration and partnership will help enable the practical use of the eVTOL for public service missions, benefit the eVTOL public acceptance, and accelerate the eVTOL industry revolution.

Johnny T. Doo↗
DOE OSTI2026

Predicting core transport in ITER baseline discharges with neon injections

Achieving self-consistent performance predictions for ITER requires integrated modeling of core transport and divertor power exhaust under realistic impurity conditions. We present results from a systematic power-flow and impurity-content study for the ITER 15 MA baseline scenario constrained directly by existing SOLPS-ITER neon-seeded divertor solutions. Using the OMFIT STEP workflow, stationary temperature and density profiles are predicted with TGYRO for $1.5 \unicode{x2A7D} Z_\textrm{eff} \unicode{x2A7D} 2.5$, and the corresponding power crossing the separatrix $P_\textrm{sep}$ is evaluated. We find that $P_\textrm{sep}$ varies by more than a factor of 1.7 across this scan and matches the ${\sim}100$ MW SOLPS-ITER prediction when $Z_\textrm{eff} \simeq 1.6$ or when auxiliary heating is reduced to ${\sim}75\%$ of nominal. Rotation-sensitivity studies show that plausible variations in toroidal flow magnitude modify $P_\textrm{sep}$ by $\lesssim 20\%$, while AURORA modeling confirms that charge-exchange radiation inside the separatrix is dynamically negligible under predicted ITER neutral densities. These results identify a restricted compatibility window, $Z_\textrm{eff} \approx 1.6$ –1.75 and $0.75 \lesssim f_{P_\textrm{aux}} \unicode{x2A7D} 1.0$, in which core transport predictions remain aligned with neon-seeded divertor protection targets. This self-consistent, model-constrained framework provides actionable guidance for impurity control and auxiliary-heating scheduling in early ITER operation and supports future whole-device scenario optimization.

ITER↗