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DOE OSTI2026

Project Development of an Electrochemical Denitration and Caustic Generation System for HLW Pretreatment at Hanford - 26350

An engineering-scale electrochemical processing skid is proposed to perform the denitration of Hanford tank waste, which would help to mitigate a key process concern with the direct feed processing of the Hanford Tank Waste Treatment and Immobilization Plant (WTP). The reduction of nitrates and organic compounds in the waste feed will directly reduce hazardous NOx and ammonia gases generated during the vitrification process, which in turn will aid in addressing potential regulatory and safety challenges associated with processing large volumes of tank waste. This paper highlights the past legacy work, project layout, accomplishments from Phase 1 and research and development envisioned for Phase 2. An innovative electrochemical denitration and caustic generation (EDCGe) process was demonstrated for the pretreatment of tank waste at the Savannah River Site (SRS) in the early 2000s. The denitration electrolyzer, off-gas abatement system, and caustic generator electrolyzer are being developed with the intent that the denitration electrolyzer will convert nitrate and nitrite anions to nitrogen gas while also yielding other gaseous byproducts, which may include N2O, NH3, VOCs, and H2. The gaseous byproducts will be managed via a tandem off-gas catalyst-bed treatment system. The caustic generation electrolyzer will recycle NaOH from the feed to produce a clean caustic stream for use within the batching tanks at Hanford, aiding in the preparation of waste for WTP. The reduction in hazardous emissions and improved waste treatment processes provides a robust solution for nuclear waste management, contributing to environmental safety and regulatory compliance. The EDCGe technology is being adapted, modified, and updated for the preparation of the Direct Feed-High Level Waste (DF-HLW) flowsheet at Hanford. Phase 1 demonstrated a bench-scale proof-of-concept for reactions involving the denitration electrolyzer and gas phase abatement of ammonia. The electrochemical technology is drawing on the scientific outcomes that were reported in the legacy work. The results from Phase 1 demonstrated the viability of the EDCGe system in reducing the nitrogen species of simple non-radioactive waste simulants. Commercially available alloys used as electrode materials and membranes are being studied for the denitration and caustic generation electrolyzers. The continuation of this project holds promise for broader applications, such as energy-efficient ammonia production, and contributes significant advancements in nuclear waste management. Additional material discovery has been investigated into ceramic Na super ion conductive (NaSICON) materials and off-gas abatement catalyst discovery. NaSICON is of interest for selective transport of Na within the electrolyzers to make a clean caustic stream. Future integration and optimization efforts, informed by Phase 1 results and ongoing research, will continue to drive advancements in nuclear waste management technology. The technology developed for the EDCGe treatment of tank waste will also have broader potential to inform other fields, such as energy-efficient ammonia production, as well as ammonia abatement catalysis through the lessons learned in electrochemical nitrate reduction. The applications and benefits of this research extend beyond Hanford and the Savannah River Site, supported by a collaborative team of scientists and engineers from national labs, academia, and industry, ensuring a comprehensive approach to solving complex waste treatment challenges. The team is leveraging advanced electrochemical technologies, machine learning, novel catalysts tailored for gaseous nitrogen species, and cutting-edge reactor systems to enhance the process efficiency and effectiveness of the denitration process.

Rodene, Dylan [Savannah River National Laboratory ↗

NASA NTRS1994

Third Report of the Task Force on the Shuttle-Mir Rendezvous and Docking Missions

In May 1994, the Task Force on the Shuttle-Mir Rendezvous and Docking Missions was established by the NASA Advisory Council. Its purpose is to review Phase 1 (Shuttle-Mir) planning, training, operations, rendezvous and docking, and management and to provide interim reports containing specific recommendations to the Advisory Council. Phase 1 represents the building block to create the experience and technical expertise for an International Space Station. The Phase 1 program brings together the United States and Russia in a major cooperative and contractual program that takes advantage of both countries' capabilities. The content of the Phase 1 program consists of the following elements as defined by the Phase 1 Program Management Plan, dated October 6, 1994: Shuttle-Mir rendezvous and docking missions; astronaut long duration presence on Mir Requirements for Mir support of Phase 1 when astronauts are not on board; outfitting Spektr and Priroda modules with NASA science, research, and risk mitigation equipment Related ground support requirements of NASA and the Russian Space Agency (RSA) to support Phase 1 Integrated NASA and RSA launch schedules and manifests The first meeting of the Task Force was held at the Johnson Space Center (JSC) on May 24 and 25, 1994 with a preliminary report submitted to the NASA Advisory Council on June 6, 1994. The second meeting of the Task Force was held at JSC on July 12 and 13, 1994 and a detailed report containing a series of specific recommendations was submitted on July 29, 1994. This report reflects the results of the third Task Force meeting which was held at JSC on 11 and 12 October, 1994. The briefings presented at that meeting reviewed NASA's response to the Task Force recommendations made to date and provided background data and current status on several critical areas which the Task Force had not addressed in its previous reports.

Source record↗

DOE OSTI2023

Williston Basin Carbon Ore, Rare Earth, and Critical Minerals (CORE-CM) Program

The U.S. Department of Energy’s (DOE’s) Office of Fossil Energy awarded 13 Carbon Ore, Rare-Earth and Critical Minerals (CORE-CM) programs as part of the CORE-CM Initiative, designed to develop the technology and upstream and midstream supply chains to extract rare-earth elements (REEs) and CMs from the nation’s coal supplies. The intent is to catalyze regional economic growth and job creation while strengthening the use of domestic resources. The Williston Basin CORE-CM Program aims to drive the expansion and transformation of coal and coal-based resource usage within the Williston Basin to produce REEs, CMs, and nonfuel carbon-based products (CBPs). The work constitutes Phase 1 of a long-term program. The objectives of Phase 1 are to identify the existing knowledge base and gaps and to develop a series of assessments/plans, including an initial basinal assessment; a characterization and data acquisition plan; a waste stream reuse plan; a basinal strategies assessment for infrastructure, industries, and business; a technology assessment, development, and field-testing plan; a technology innovation center plan(s); and a stakeholder outreach and education plan. Originally, the CORE-CM programs were to do little if any sample collection as part of the Phase 1 program. As part of the ongoing interactions with DOE regarding the progress of the 13 CORE-CM programs, DOE has decided to extend Phase 1 with additional funding to allow all of the Phase 1 CORE-CM programs to collect and characterize more samples that have potential to be sources of REEs and CMs. The goal of this project is to initiate the development of a new industry in the resource-rich Williston Basin that will generate economic growth and job creation through a coalition team of private industry; university; and state, local, and federal government entities. A coalition team of nearly 30 private industry; university; and state, local, and federal government partners was formed for this program. Partners include the University of North Dakota Energy & Environmental Research Center, Institute for Energy Studies, and Nistler College; North Dakota State University; Montana Tech University; Pacific Northwest National Laboratory; Critical Materials Institute; North Dakota Geological Survey; South Dakota Geological Survey; U.S. Geological Survey; North American Coal Corporation; BNI Energy; Basin Electric Power Cooperative; Minnkota Power Cooperative; and many more.

Kay, John P.↗

NASA NTRS1980

Accelerated life testing effects on CMOS microcircuit characteristics

This report covers the time period from May 1976 to December 1979 and encompasses the three phases of accelerated testing: Phase 1, the 250 C testing; Phase 2, the 200 C testing; and Phase 3, the 125 C testing. The duration of the test in Phase 1 and Phase 2 was sufficient to take the devices into the wear out region. The wear out distributions were used to estimate the activation energy between the 250 C and the 200 C test temperatures. The duration of the 125 C test, 20,000 hours, was not sufficient to bring the test devices into the wear out region; consequently the third data point at 125 C for determining the consistency of activation energy could not be obtained. It was estimated that, for the most complex of the three device types, the activation energy between 200 C and 125 C should be at least as high as that between 250 C and 200 C. The practicality of the use of high temperature for the accelerated life tests from the point of view of durability of equipment was assessed. Guidelines for the development of accelerated life test conditions were proposed. The use of the silicon nitride overcoat to improve the high temperature accelerated life test characteristics of CMOS microcircuits was explored in Phase 4 of this study and is attached as an appendix to this report.

Source record↗

NASA NTRS1992

Multi-megawatt inverter/converter technology for space power applications

Large power conditioning mass reductions will be required to enable megawatt power systems envisioned by the Strategic Defense Initiative, the Air Force, and NASA. Phase 1 of a proposed two phase interagency program has been completed to develop an 0.1 kg/kW DC/DC converter technology base for these future space applications. Three contractors, Hughes, General Electric (GE), and Maxwell were Phase 1 contractors in a competitive program to develop a megawatt lightweight DC/DC converter. Researchers at NASA Lewis Research Center and the University of Wisconsin also investigated technology in topology and control. All three contractors, as well as the University of Wisconsin, concluded at the end of the Phase 1 study, which included some critical laboratory work, that 0.1-kg/kW megawatt DC/DC converters can be built. This is an order of magnitude lower specific weight than is presently available. A brief description of each of the concepts used to meet the ambitious goals of this program are presented.

Myers, Ira T.↗

DOE OSTI2025

Hydrochlorination of Uranium Dioxide in a Molten Salt Mixture- Phase 2: Sparged Benchtop Reaction Vessel Experiment

In 2023, Metatomic® Inc., a South Carolina based company, was awarded a Gateway for Advanced Innovation in Nuclear (GAIN) research voucher for a proposed series of experiments aimed at demonstrating the viability of a spent nuclear fuel (SNF) recycling process patented by Metatomic Inc. For the GAIN voucher, Metatomic Inc. selected Savannah River National Laboratory (SRNL) as a partner in executing the proposed proof-of-concept experiments. This report outlines the proof-of-concept experiments performed by SRNL for Metatomic Inc. during Phase 2 (of 2) experimentation. Though Phase 1 provided evidence of successful hydrochlorination, Phase 2 highlighted the nuances and challenges associated with scaling the reaction. The target UCl 4 species generated by the hydrochlorination of UO 2 generates water, which consumes UCl 4 . Compared to the single datapoint obtained at the end of the Phase 1 experiments, data collected at multiple timepoints during Phase 2 experiments indicated a presumed maximum percent conversion of 23% for this system that is likely influenced by water generation. Engineering improvements might be able to increase the percent conversion, but not likely to the degree needed for successful implementation of the technology. Moisture also presents an issue for the Hastelloy C276 reaction vessel. Eventually, corrosion will compromise the integrity of the reaction vessel, and the corrosion products could potentially affect the hydrochlorination chemistry. The presence of corrosion products, which were not produced in the Phase 1 alumina crucible, can and have created challenges when analyzing samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1984

Definition of technology development missions for early Space Station satellite servicing. Volume 1: Executive summary

The Executive Summary volume 1, includes an overview of both phases of the Definition of Technology Development Missions for Early Space Station Satellite Servicing. The primary purpose of Phase 1 of the Marshall Space Flight Center (MSFC) Satellite Servicing Phase 1 study was to establish requirements for demonstrating the capability of performing satellite servicing activities on a permanently manned Space Station in the early 1990s. The scope of Phase 1 included TDM definition, outlining of servicing objectives, derivation of initial Space Station servicing support requirements, and generation of the associated programmatic schedules and cost. The purpose of phase 2 of the satellite servicing study was to expand and refine the overall understanding of how best to use the manned space station as a test bed for demonstration of satellite servicing capabilities.

Source record↗

NASA NTRS2011

NASA's UAS NAS Access Project

The vision of the Unmanned Aircraft System (UAS) Integration in the National Airspace System (NAS) Project is "A global transportation system which allows routine access for all classes of UAS." The goal of the UAS Integration in the NAS Project is to "contribute capabilities that reduce technical barriers related to the safety and operational challenges associated with enabling routine UAS access to the NAS." This goal will be accomplished through a two-phased approach based on development of system-level integration of key concepts, technologies and/or procedures, and demonstrations of integrated capabilities in an operationally relevant environment. Phase 1 will take place the first two years of the Project and Phase 2 will take place the following three years. The Phase 1 and 2 technical objectives are: Phase 1: Developing a gap analysis between current state of the art and the Next Generation Air Transportation System (NextGen) UAS Concept of Operations . Validating the key technical areas identified by this Project . Conducting initial modeling, simulation, and flight testing activities . Completing Sub-project Phase 1 deliverables (spectrum requirements, comparative analysis of certification methodologies, etc.) and continue Phase 2 preparation (infrastructure, tools, etc.) Phase 2: Providing regulators with a methodology for developing airworthiness requirements for UAS, and data to support development of certifications standards and regulatory guidance . Providing systems-level, integrated testing of concepts and/or capabilities that address barriers to routine access to the NAS. Through simulation and flight testing, address issues including separation assurance, communications requirements, and human systems integration in operationally relevant environments. The UAS in the NAS Project will demonstrate solutions in specific technology areas, which will address operational/safety issues related to UAS access to the NAS. Since the resource allocation for this Project is limited ($150M over the five years), the focus is on reducing the technical barriers where NASA has unique capabilities. As a result, technical areas, such as Sense and Avoid (SAA) and beyond line of sight command and control will not be addressed. While these are critical barriers to UAS access, currently, there is a great deal of global effort being exercised to address these challenge areas. Instead, specific technology development in areas where there is certainty that NASA can advance the research to high technology readiness levels will be the Project's focus. Specific sub-projects include Separation Assurance, Human Systems Integration, Communications, Certification, and Integrated Test and Evaluation. Each sub-project will transfer technologies to relevant key stakeholders and decision makers through research transition teams, technology forums, or through other analogous means.

Johnson, Charles W.↗

NASA NTRS2019

Experimental Demonstration and System Analysis for Plasmonic Force Propulsion

This project developed a higher-fidelity model of a recently envisioned small spacecraft propulsion system for precision pointing and proximity control. Plasmonic force propulsion harnesses solar light focused onto plasmon reactive subwavelength nanostructures to accelerate and expel nanoparticle propellant via strong optical forces. The goal of the project was to show that plasmonic space propulsion can provide the level of proximity and attitude control envisioned for future NASA nano/picosatellite missions, a level that is better than state-of-the-art approaches. We achieved this goal by showing that plasmonic force thrusters are feasible for a range of advanced mission concepts requiring swarm formations in a deep space environment. We performed three case studies that evaluated the performance of the plasmonic force propulsion thruster in a deep space, microsatellite swarm formation. These case studies assumed the propulsion system could generate thrust at the level predicted from our Phase 1 study (1.6 μN). Through these cases we were able to analyze the concept within a mission specific context through detailed orbital dynamics calculations. Results indicate that, with the Phase 1 estimated thrust level, the approach is promising for providing attitude control to swarm formation spacecraft. Further, we achieved goals related to technology development. Specifically, we experimentally demonstrated nanoparticle acceleration due to plasmonic forces with asymmetric nanostructures excited by focused laser light. Additionally, we investigated the thrust sensitivity and nanoparticle propellant injection dependencies upon thermal effects. As a result of our study, plasmonic force propulsion is at an early TRL 3. Active research and design has been conducted analytically and in the laboratory. Furthermore, practical applications such as the three case studies have been identified for the scientific basic principles that were observed. Future efforts related to fundamental understanding of these techniques should focus on 1) developing a standalone array of asymmetric nanostructures that can effectively interact with a stream or reservoir of particles or 2) experimentally evaluate a dielectrophoretic injector for nanoparticle propellant. The main limitation discovered about plasmonic propulsion regards performance estimates significantly below the Phase 1 estimations. Specifically, original assumptions in the Phase 1 project (notably, a linear array of asymmetric nanostructures) is not a viable approach to achieving significant acceleration, high exhaust velocity, of nanoparticles. More specifically, we assumed in Phase 1 that nanoparticles would be accelerated in series by a long linear array of asymmetric nanostructures. That is, the acceleration of the nanoparticle would build and increase with the kick received by each subsequent nanostructure. This is fundamentally flawed. The potential profile of a single nanostructure is such that it prohibits this phenomenon. The potential energy associated with the plasmon-generated dielectrophoretic force is a potential well, which is good for trapping nanoparticles, but cannot provide significant acceleration of particles to expel them out and away from the nanostructure. Further, a nanoparticle expelled from the first nanostructure would need to overcome the potential barrier for entry into the next nanostructure accelerating stage. Fundamentally, this effect means that a linear array of nanostructures is not a viable accelerating structure. Correspondingly then, acceleration can, or should, only be provided by one nanostructure, and the net acceleration and thrust force of a single nanostructure is small (~cm/s exhaust velocities, sub-nN level thrust vs. the 100’s m/s, μN originally envisioned). While our experiments demonstrated acceleration and manipulation of a nanoparticle using laser light in aqueous environment, the achievable energy and momentum addition to the nanoparticle from a single nanostructure stage is too low for useful propulsion. In terms of thrust prediction, the estimated thrust of 1.6 μN in Phase 1 is reduced to a few nN of thrust with this new insight and understanding of the concept. This thrust level is too small to achieve attitude control of swarms as originally envisioned.

Plasmonic Force↗

DOE OSTI2015

Ab initio calculation of structural stability, electronic and optical properties of Ag{sub 2}Se

The structural stability, electronic and optical properties of Ag{sub 2}Se compound is studied using ab initio packages. Ag{sub 2}Se is found to crystallize in orthorhombic structure with two different space groups i.e. P2{sub 1}2{sub 1}2{sub 1} (No. 19) and P222{sub 1} (No. 17). For this compound in these two space groups, the total energy has been computed as a function of volume. Our calculated results suggest that the P2{sub 1}2{sub 1}2{sub 1}–phase is more stable than that of the P222{sub 1}–phase. The band structure calculation show that Ag{sub 2}Se is semimetallic with an overlap of about 0.014 eV in P2{sub 1}2{sub 1}2{sub 1}–phase whereas is metallic in nature in P222{sub 1}–phase. Moreover, the optical properties including the dielectric function, energy loss spectrum are obtained and analysed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1991

An overview of the NASA electronic components information management system

The NASA Parts Project Office (NPPO) comprehensive data system to support all NASA Electric, Electronic, and Electromechanical (EEE) parts management and technical data requirements is described. A phase delivery approach is adopted, comprising four principal phases. Phases 1 and 2 support Space Station Freedom (SSF) and use a centralized architecture with all data and processing kept on a mainframe computer. Phases 3 and 4 support all NASA centers and projects and implement a distributed system architecture, in which data and processing are shared among networked database servers. The Phase 1 system, which became operational in February of 1990, implements a core set of functions. Phase 2, scheduled for release in 1991, adds functions to the Phase 1 system. Phase 3, to be prototyped beginning in 1991 and delivered in 1992, introduces a distributed system, separate from the Phase 1 and 2 system, with a refined semantic data model. Phase 4 extends the data model and functionality of the Phase 3 system to provide support for the NASA design community, including integration with Computer Aided Design (CAD) environments. Phase 4 is scheduled for prototyping in 1992 to 93 and delivery in 1994.

Kramer, G.↗

NASA NTRS1994

Hydrogen and related materials at high density: Physics, chemistry and planetary implications

Recent studies of low-Z molecular materials including hydrogen to multimegabar pressures (less than 300 GPa) have uncovered a range of phenomena relevant to understanding the nature of the interiors of the outer planets and their satellites. Synchrotron x ray diffraction measurements (to 42 GPa) have been used to determine the crystal structure of the solid (hexagonal-close packed) and equation of state. Sound velocities in fluid and solid hydrogen (to 24 GPa) have been inverted to obtain elastic constants and aggregate bulk and shear moduli. In addition, an improved intermolecular potential has been determined which fits both static and shock-wave data. Use of the new potential for the molecular envelope of Jupiter suggests the need for major revisions of existing Jovian models or a reanalysis of reported free oscillations for the planet. Studies at higher pressures (greater than 100 GPa) reveal a sequence of pressure-induced symmetry-breaking transitions in molecular hydrogen, giving rise to three high-pressure phases (1, 2, and 3). Phase 1 is the rotationally disordered hcp phase which persists from low pressure to well above 100 GPa at high temperature (e.g., 300 K). Phase 2 is a low-temperature, high-pressure phase (transition at 100 GPa and 77 K in H2) with spectral features indicative of partial rotational ordering and crystallographic distortion. The transition to Phase 3 at 150 GPa is accompanied by a weakening of the molecular bond, gradual changes in orientational ordering, strong enhancement of the infrared intramolecular vibrational absorption, and strong intermolecular interactions similar to those of ambient-pressure network solids. Studies of the phase diagram reveal a triple point near 130 K and 160 GPa. Higher pressure measurements of vibrational spectra place a lower bound of approximately 250 GPa on the predicted transition pressure for dissociation of molecular hydrogen to form a monatomic metal.

Hemley, R. J.↗

DOE OSTI2012

Active Management of Integrated Geothermal-CO2 Storage Reservoirs in Sedimentary Formations

Active Management of Integrated Geothermal–CO2 Storage Reservoirs in Sedimentary Formations: An Approach to Improve Energy Recovery and Mitigate Risk: FY1 Final Report The purpose of phase 1 is to determine the feasibility of integrating geologic CO2 storage (GCS) with geothermal energy production. Phase 1 includes reservoir analyses to determine injector/producer well schemes that balance the generation of economically useful flow rates at the producers with the need to manage reservoir overpressure to reduce the risks associated with overpressure, such as induced seismicity and CO2 leakage to overlying aquifers. Based on a range of well schemes, techno-economic analyses of the levelized cost of electricity (LCOE) are conducted to determine the economic benefits of integrating GCS with geothermal energy production. In addition to considering CO2 injection, reservoir analyses are conducted for nitrogen (N2) injection to investigate the potential benefits of incorporating N2 injection with integrated geothermal-GCS, as well as the use of N2 injection as a potential pressure-support and working-fluid option. Phase 1 includes preliminary environmental risk assessments of integrated geothermal-GCS, with the focus on managing reservoir overpressure. Phase 1 also includes an economic survey of pipeline costs, which will be applied in Phase 2 to the analysis of CO2 conveyance costs for techno-economics analyses of integrated geothermal-GCS reservoir sites. Phase 1 also includes a geospatial GIS survey of potential integrated geothermal-GCS reservoir sites, which will be used in Phase 2 to conduct sweet-spot analyses that determine where promising geothermal resources are co-located in sedimentary settings conducive to safe CO2 storage, as well as being in adequate proximity to large stationary CO2 sources.

15 GEOTHERMAL ENERGY↗

DOE OSTI2013

Creation of an Enhanced Geothermal System through Hydraulic and Thermal Stimulation

This report describes a 10-year DOE-funded project to design, characterize and create an Engineered Geothermal System (EGS) through a combination of hydraulic, thermal and chemical stimulation techniques. Volume 1 describes a four-year Phase 1 campaign, which focused on the east compartment of the Coso geothermal field. It includes a description of the geomechanical, geophysical, hydraulic, and geochemical studies that were conducted to characterize the reservoir in anticipation of the hydraulic stimulation experiment. Phase 1 ended prematurely when the drill bit intersected a very permeable fault zone during the redrilling of target stimulation well 34-9RD2. A hydraulic stimulation was inadvertently achieved, however, since the flow of drill mud from the well into the formation created an earthquake swarm near the wellbore that was recorded, located, analyzed and interpreted by project seismologists. Upon completion of Phase 1, the project shifted focus to a new target well, which was located within the southwest compartment of the Coso geothermal field. Volume 2 describes the Phase 2 studies on the geomechanical, geophysical, hydraulic, and geochemical aspects of the reservoir in and around target-stimulation well 46A-19RD, which is the deepest and hottest well ever drilled at Coso. Its total measured depth exceeding 12,000 ft. It spite of its great depth, this well is largely impermeable below a depth of about 9,000 ft, thus providing an excellent target for stimulation. In order to prepare 46A-19RD for stimulation, however, it was necessary to pull the slotted liner. This proved to be unachievable under the budget allocated by the Coso Operating Company partners, and this aspect of the project was abandoned, ending the program at Coso. The program then shifted to the EGS project at Desert Peak, which had a goal similar to the one at Coso of creating an EGS on the periphery of an existing geothermal reservoir. Volume 3 describes the activities that the Coso team contributed to the Desert Peak project, focusing largely on a geomechanical investigation of the Desert Peak reservoir, tracer testing between injectors 21-2 and 22-22 and the field's main producers, and the chemical stimulation of target well 27-15.

15 GEOTHERMAL ENERGY↗

DOE OSTI2013

Creation of an Enhanced Geothermal System through Hydraulic and Thermal Stimulation

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

MFIX-DEM Phi: Performance and Capability Improvements Towards Industrial Grade Open-source DEM Framework with Integrated Uncertainty Quantification

Two major challenges hinder the effective use and adoption of multiphase computational fluid dynamics tools by the industry. The first is the need for significant computational resources, which is inversely proportional to the accuracy of solutions due to computational intensity of the algorithms. The second barrier is assessing the prediction credibility and confidence in the simulation results. In this project, a multi-tiered approach has been proposed under four broad activities to overcome these challenges while addressing all of the objectives outlined in FOA-0001238 through Phases 1 and 2 of the project. The present report consists of the results for only Phase 1, which was the funded performance period. From the start the project, all of the objectives outlined in FOA were addressed through four major activity tasks in an integrated and balanced fashion to improve adoption of MFIX suite of solvers for industrial use. The first task aimed to improve the performance of MFIX-DEM specifically targeting to acquire the peak performance on Intel Xeon and Xeon Phi based systems, which are expected to be one of the primary high-performance computing platforms both affordable and available for the industrial users in the next two to five years. However, due to a number of changes in course of the project, the scope of the performance improvements related task was significantly reduced to avoid duplicate work. Hence, more emphasis was placed on the other three tasks as discussed below. The second task aimed at physical modeling enhancements through implementation of polydispersity capability and validation of heat transfer models in MFIX. An extended verification and validation (V&V) study was performed for the new polydispersity feature implemented in MFIX-DEM both for granular and coupled gas-solid flows. The features of the polydispersity capability and results for an industrially relevant problem were disseminated through journal papers (one published and one under review at the time of writing of the final technical report). As part of the validation efforts, another industrially relevant problem of interest based on rotary drums was studied for several modes of heat transfer and results were presented in conferences. Third task was aimed towards an important and unique contribution of the project, which was to develop a unified uncertainty quantification framework by integrating MFIX-DEM with a graphical user interface (GUI) driven uncertainty quantification (UQ) engine, i.e., MFIX-GUI and PSUADE. The goal was to enable a user with only modest knowledge of statistics to effectively utilize the UQ framework offered with MFIX-DEM Phi to perform UQ analysis routinely. For Phase 1, a proof-of-concept demonstration of the proposed framework was completed and shared. Direct industry involvement was one of the key virtues of this project, which was performed through forth task. For this purpose, even at the proposal stage, the project team received strong interest in the proposed capabilities from two major corporations, which were further expanded throughout Phase 1 and a new collaboration with another major corporation from chemical industry was also initiated. The level of interest received and continued collaboration for the project during Phase 1 clearly shows the relevance and potential impact of the project for the industrial users.

42 ENGINEERING↗

DOE OSTI2019

Evaluation of Concentrated Piperazine for CO 2 Capture from Coal-Fired Flue Gas (Final Report, REV0)

Concentrated piperazine (PZ) is a novel solvent being developed by the University of Texas at Austin (UT) for CO 2 capture from coal-fired power plants. The high thermal stability of PZ permits solvent regeneration at higher temperature (150 °C) and pressure, reducing compression capital and operating costs. The purpose of Cooperative Agreement DE-FE0005654, Evaluation of Concentrated Piperazine for CO 2 Capture from Coal-Fired Flue Gas , was to gain operational experience using PZ solvent to absorb CO 2 and explore novel, high-temperature processes for solvent regeneration. The pilot-scale test campaigns funded under this project have resulted in the continual improvement in the heat duty of the regeneration systems and solvent and equipment optimization. This document summarizes the results from the Phase 1 (2011, 2013 and 2015) and Phase 2 (2018) test campaigns. In Phase 1, the campaign was conducted on synthetic flue gas at the University of Texas’ Separations Research Program (SRP) facility to investigate CO 2 capture with 5 and 8 molal (5$m$ and 8$m$) PZ and two-stage flash (2SF) and advanced flash stripper (AFS) regeneration designs. Phase 1 testing also investigated techniques for measuring amine aerosol that can be generated during operation, and the effect of absorber operating conditions and sulfur containing compounds in the flue gas on aerosol generation. This testing showed that the AFS represents an optimized amine regeneration system with superior energy performance and simple operability over the 2SF or a simple stripper (SS), that 5$m$ PZ provides an economic and operability advantage over 8$m$ PZ, and that phase doppler interferometry (PDI) can provide useful particle size information on amine aerosol. In Phase 2, the campaign was conducted on coal-fired flue gas at the National Carbon Capture Center (NCCC) to investigate CO 2 capture with 5$m$ PZ and the AFS. The PZ solvent was also used with an existing SS at the NCCC to provide comparison with the AFS performance. Additionally, the campaign investigated the effect of flue gas SO 3 on amine aerosol from the CO 2 absorber. The NCCC pilot plant testing demonstrated the robustness of the PZ solvent and the high energy performance of the AFS provided significant improvements in energy performance over the conventional SS for PZ and other solvents, and approached the DOE’s economic targets for second generation carbon capture technologies. Extended testing allowed the project team to demonstrate reliable long-term operation of this novel regeneration technology and solvent combination. EPRI, Luminant, B&W, LG&E, Chevron, Southern Company, and UT are project co-funders. UT and Trimeric were project team members. URS Group was the prime contractor.

20 FOSSIL-FUELED POWER PLANTS↗

NASA NTRS2013

Timescale of Petrogenetic Processes Recorded in the Mount Perkins Magma System, Northern Colorado River Extension Corridor, Arizona

The Miocene Mt. Perkins Pluton is a small composite intrusive body emplaced in the shallow crust as four separate phases during the earliest stages of crustal extension. Phase 1 (oldest) consists of isotropic hornblende gabbro and a layered cumulate sequence. Phase 2 consists of quartz monzonite to quartz monzodiorite hosting mafic microgranitoid enclaves. Phase 3 is composed of quartz monzonite and is subdivided into mafic enclave-rich zones and enclave-free zones. Phase 4 consists of aphanitic dikes of mafic, intermediate and felsic compositions hosting mafic enclaves. Phases 2-4 enclaves record significant isotopic disequilibrium with surrounding granitoid host rocks, but collectively enclaves and host rocks form a cogenetic suite exhibiting systematic variations in Nd-Sr-Pb isotopes that correlate with major and trace elements. Phases 2-4 record multiple episodes of magma mingling among cogenetic hybrid magmas that formed via magma mixing and fractional crystallization at a deeper crustal. The mafic end-member was alkali basalt similar to nearby 6-4 Ma basalt with enriched OIB-like trace elements and Nd-Sr-Pb isotopes. The felsic end-member was a subalkaline crustal-derived magma. Phase 1 isotropic gabbro exhibits elemental and isotopic compositional variations at relatively constant SiO2, suggesting generation of isotropic gabbro by an open-system process involving two mafic end-members. One end-member is similar in composition to the OIB-like mafic end-member for phases 2-4; the second is similar to nearby 11-8 Ma tholeiite basalt exhibiting low epsilon (sub Nd), and depleted incompatible trace elements. Phase 1 cumulates record in situ fractional crystallization of an OIB-like mafic magma with isotopic evidence of crustal contamination by partial melts generated in adjacent Proterozoic gneiss. The Mt Perkins pluton records a complex history in a lithospheric scale magma system involving two distinct mantle-derived mafic magmas and felsic magma sourced in the crust. Mixing and fractional crystallization of these magmas at various levels in the crust generated a suite of intermediate composition magmas. U-Pb zircon SHRIMP ages of phase 1 (15.7 +/- 0.2 Ma), phase 3 (15.8 +/- 0.2 Ma) and phase 4 (15.4 +/- 0.3 Ma) document a 100-300k year timescale for petrogenetic processes recorded in the Mt Perkins magma system.

Danielson, Lisa R.↗