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At least 199 records · Page 11

Design of Twisted Two-Dimensional Heterostructures and Performance Regulation Descriptor for Electrocatalytic Ammonia Production from Nitric Oxide

The electrocatalytic reduction of nitric oxide (NO) to ammonia (NH 3 ) represents an attractive alternative for valorizing waste NO streams (NORR). However, discovering efficient catalysts for NO-to-NH 3 conversion remains challenging. We have designed metal-intercalated twisted graphene-BN heterostructures, in which metal atoms act as electron-transfer bridges. The twisted configuration facilitates cross-interface charge transfer, redistributing electrons from the graphene–metal interface to the metal–BN interface and BN surface. This electronic modulation enables boron atom adjacent to the metal center in BN to serve as active sites, promoting strong chemisorption and enhanced activation of NO. After high-throughput screening of the stability and NO capture ability of various transition metal-intercalated twisted heterostructures, we have investigated systematically the NORR pathways across 30 candidates. The results show that the rBN-Ti-Gθ and rBN-V-Gθ heterostructures exhibit exceptional NO-to-NH 3 catalytic performance under optimized twisting conditions. Additionally, using sure independence screening and sparsifying operator (SISSO) for model training, we propose a descriptor and establish a relationship between the twist angle and catalytic activity. This study bridges the gap in applying twisted heterostructures to NORR electrocatalysis and provides new insights and strategies for designing high-performance NORR catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Conceptual design study of a coal gasification combined-cycle powerplant for industrial cogeneration

A conceptual design study was conducted to assess technical feasibility, environmental characteristics, and economics of coal gasification. The feasibility of a coal gasification combined cycle cogeneration powerplant was examined in response to energy needs and to national policy aimed at decreasing dependence on oil and natural gas. The powerplant provides the steam heating and baseload electrical requirements while serving as a prototype for industrial cogeneration and a modular building block for utility applications. The following topics are discussed: (1) screening of candidate gasification, sulfur removal and power conversion components; (2) definition of a reference system; (3) quantification of plant emissions and waste streams; (4) estimates of capital and operating costs; and (5) a procurement and construction schedule. It is concluded that the proposed powerplant is technically feasible and environmentally superior.

Bloomfield, H. S.

Design and Test Plans for a Non-Nuclear Fission Power System Technology Demonstration Unit

A joint National Aeronautics and Space Administration (NASA) and Department of Energy (DOE) team is developing concepts and technologies for affordable nuclear Fission Power Systems (FPSs) to support future exploration missions. A key deliverable is the Technology Demonstration Unit (TDU). The TDU will assemble the major elements of a notional FPS with a non-nuclear reactor simulator (Rx Sim) and demonstrate system-level performance in thermal vacuum. The Rx Sim includes an electrical resistance heat source and a liquid metal heat transport loop that simulates the reactor thermal interface and expected dynamic response. A power conversion unit (PCU) generates electric power utilizing the liquid metal heat source and rejects waste heat to a heat rejection system (HRS). The HRS includes a pumped water heat removal loop coupled to radiator panels suspended in the thermal-vacuum facility. The basic test plan is to subject the system to realistic operating conditions and gather data to evaluate performance sensitivity, control stability, and response characteristics. Upon completion of the testing, the technology is expected to satisfy the requirements for Technology Readiness Level 6 (System Demonstration in an Operational and Relevant Environment) based on the use of high-fidelity hardware and prototypic software tested under realistic conditions and correlated with analytical predictions.

Mason, Lee

Cold-end Subsystem Testing for the Fission Power System Technology Demonstration Unit

The Fission Power System (FPS) Technology Demonstration Unit (TDU) consists of a pumped sodium-potassium (NaK) loop that provides heat to a Stirling Power Conversion Unit (PCU), which converts some of that heat into electricity and rejects the waste heat to a pumped water loop. Each of the TDU subsystems is being tested independently prior to full system testing at the NASA Glenn Research Center. The pumped NaK loop is being tested at NASA Marshall Space Flight Center; the Stirling PCU and electrical controller are being tested by Sunpower Inc.; and the pumped water loop is being tested at Glenn. This paper describes cold-end subsystem setup and testing at Glenn. The TDU cold end has been assembled in Vacuum Facility 6 (VF 6) at Glenn, the same chamber that will be used for TDU testing. Cold-end testing in VF 6 will demonstrate functionality; validated cold-end fill, drain, and emergency backup systems; and generated pump performance and system pressure drop data used to validate models. In addition, a low-cost proof-of concept radiator has been built and tested at Glenn, validating the design and demonstrating the feasibility of using low-cost metal radiators as an alternative to high-cost composite radiators in an end-to-end TDU test.

Briggs, Maxwell

Cold-End Subsystem Testing for the Fission Power System Technology Demonstration Unit

The Fission Power System (FPS) Technology Demonstration Unit (TDU) consists of a pumped sodiumpotassium (NaK) loop that provides heat to a Stirling Power Conversion Unit (PCU), which converts some of that heat into electricity and rejects the waste heat to a pumped water loop. Each of the TDU subsystems is being tested independently prior to full system testing at the NASA Glenn Research Center. The pumped NaK loop is being tested at NASA Marshall Space Flight Center; the Stirling PCU and electrical controller are being tested by Sunpower Inc.; and the pumped water loop is being tested at Glenn. This paper describes cold-end subsystem setup and testing at Glenn. The TDU cold end has been assembled in Vacuum Facility 6 (VF 6) at Glenn, the same chamber that will be used for TDU testing. Cold-end testing in VF 6 will demonstrate functionality; validated coldend fill, drain, and emergency backup systems; and generated pump performance and system pressure drop data used to validate models. In addition, a low-cost proof-of concept radiator has been built and tested at Glenn, validating the design and demonstrating the feasibility of using low-cost metal radiators as an alternative to highcost composite radiators in an end-to-end TDU test.

Briggs, Mazwell

Understanding Inlet Concentration Effects on the Electrocatalytic Conversion of CO 2 to Formic Acid in Gas-Fed Electrolyzers

The electrochemical CO 2 reduction reaction (CO2RR) to produce value-added products remains a developing technology for utilizing waste CO 2 streams. Most device-level CO2RR studies use pure CO 2 gas feeds; however, the effect of dilute CO 2 on the electrolyzer performance is an important consideration for large-scale electrolyzer operation, single-pass conversion, and real-world CO 2 source utilization. This work investigates the effect that the CO 2 concentration has on the performance of formic acid (HCOOH) producing tin oxide (SnO 2 ) and bismuth oxide (Bi 2 O 3 ) catalysts in an electrolyzer device setting. Surprisingly, SnO2 demonstrated an approximately 20% increase in HCOOH selectivity (Faradaic efficiency) when the CO 2 concentration decreased from 100 to 20%. In contrast, Bi 2 O 3 consistently demonstrated high selectivity toward HCOOH across the same CO 2 concentration range. The effects of the CO 2 concentration on selectivity were further investigated with half-cell experiments and in situ Raman spectroscopy, which revealed dynamic changes in the cathodic overpotential and chemical state of the catalyst that depended on the CO 2 concentration. Density functional theory calculations showed how changes in the surface oxidation state of Sn, varying from fully oxidized SnO 2 to metallic Sn(0), affect the thermodynamic barriers of the three main observed products: HCOOH, CO, and H 2 . Our results indicate that dilute CO 2 concentrations required larger cathodic overpotentials to sustain a fixed current density, which, in turn, pushed the Sn-based catalyst toward a more reduced surface that was favorable to HCOOH formation. On the other hand, the Bi-based catalyst remained in a metallic state at CO2RR-relevant potentials and demonstrated a consistent product selectivity regardless of CO 2 concentration. These findings highlight how varying the CO 2 inlet gas concentrations affects the chemical state of catalysts and the resulting performance metrics.

42 ENGINEERING

Calculating the Effects of Solids Input and Removal as a Temperature Control in the Advanced Scale Up Reactor Experiment (ASURE) Facility at NETL Using Aspen

The Advanced Scale Up Reactor Experiment (ASURE) facility at NETL is being designed to be a fuel-flexible multi-purpose reactor that can be used for pyrolysis/gasification or evaluation of other high pressure “circulating fluidized bed” (CFB) chemical processes. The initial system design calculations for pyrolysis/gasification are presented in this work showing the expected performance of the ASURE facility when used as a biomass conversion reactor. Several other areas of application include gasification of any carbonaceous fuel including biomass, coal, plastics, and other waste materials. The reactor can therefore be used to produce SYNGAS of various compositions and hydrogen as well as other high value chemicals resulting from a typical tuned gasification process. This paper discusses an ASPEN model of the facility, focusing on the riser of the CFB reactor and the solids recirculation loop. The ASPEN model divides the riser into two sections. A bottom section which receives ash, char and sand which have been recirculated from a return loop. In this section an inert fluidization gas, (N2 or CO2), is introduced which acts as the primary mover of the solids through the system. The bottom section is equipped with a restricted air feed so that the recirculated char can be partially oxidized. This oxidation process along with the inventory of recirculating sand are used to effectively control the temperature in the following two chemical conversion sections of the reactor which are the pyrolysis zone followed by a tar cracking zone. Fresh fuel is added to the pyrolysis zone and undergoes drying and devolatilization. The products ash, char, volatile matter, and water vapor exit the pyrolysis zone and enter the reaction block for tar cracking. Steam and CO2 gasification reactions will be incorporated into the tar cracking zone, however at the design operating temperature, conversion from these reactions is expected to be essentially zero. The unit when completed in 2026 will test mixtures of biomass, plastics, and waste coal. This presentation discusses the basic ASPEN engineering design model for this project and provides preliminary sensitivity studies to determine how the various parts of the reactor will perform.

ASSURE

Calculating the Effects of Solids Input and Removal as a Temperature Control in the Advanced Scale Up Reactor Experiment (ASURE) Facility at NETL Using Aspen

The Advanced Scale Up Reactor Experiment (ASURE) facility at NETL is being designed to be a fuel-flexible multi-purpose reactor that can be used for pyrolysis/gasification or evaluation of other high pressure “circulating fluidized bed” (CFB) chemical processes. The initial system design calculations for pyrolysis/gasification are presented in this work showing the expected performance of the ASURE facility when used as a biomass conversion reactor. Several other areas of application include gasification of any carbonaceous fuel including biomass, coal, plastics, and other waste materials. The reactor can therefore be used to produce SYNGAS of various compositions and hydrogen as well as other high value chemicals resulting from a typical tuned gasification process. This paper discusses an ASPEN model of the facility, focusing on the riser of the CFB reactor and the solids recirculation loop. The ASPEN model divides the riser into two sections. A bottom section which receives ash, char and sand which have been recirculated from a return loop. In this section an inert fluidization gas, (N2 or CO2), is introduced which acts as the primary mover of the solids through the system. The bottom section is equipped with a restricted air feed so that the recirculated char can be partially oxidized. This oxidation process along with the inventory of recirculating sand are used to effectively control the temperature in the following two chemical conversion sections of the reactor which are the pyrolysis zone followed by a tar cracking zone. Fresh fuel is added to the pyrolysis zone and undergoes drying and devolatilization. The products ash, char, volatile matter, and water vapor exit the pyrolysis zone and enter the reaction block for tar cracking. Steam and CO2 gasification reactions will be incorporated into the tar cracking zone, however at the design operating temperature, conversion from these reactions is expected to be essentially zero. The unit when completed in 2026 will test mixtures of biomass, plastics, and waste coal. This paper presents the basic ASPEN engineering design model for this project and provides preliminary sensitivity studies to determine how the various parts of the reactor will perform.

ASSURE

Adapting Waste Processing for Space Applications

It has been estimated that on a 1-year mission, a four-astronaut crew will produce approximately 2,600 kg of waste materials. The current International Space Station practice for waste management is a stow and jettison model in which the trash is simply ejected. The immediate challenge waste poses for long duration space flight is that it represents unproductive mass. Longer term, waste accumulation on planetary surfaces will also pose challenges. A waste management/disposal solution is greatly needed. Simultaneously, significant research and development efforts are being made to enable in-situ resource extraction and recovery for lunar and Mars surface operations. A waste management solution could free up volume, reduce mass and thereby propellant needs, as well as contribute to resource recovery for spacecraft, and eventually, surface operations. The adaptation of many chemical engineering unit operations to the microgravity environment is critical to achieve this goal. An ideal spacecraft waste treatment system would convert waste into useful gases. It should be largely self-sustaining in that it should have the ability to recycle commodities to avoid imposing mass penalties associated with transporting feedstock on the spacecraft at launch. At NASA KSC, a model of what such a system would look like is being developed. In addition, the team has recently completed a suborbital flight campaign with a combustion reactor to demonstrate rudimentary conversion in a microgravity environment and identify challenges for future design. This presentation will discuss what a full waste treatment system could look like, point out challenges relating to various unit operations involved in such a system, and highlight recent progress in space waste management research and development.

Waste Processing

NASA Radioisotope Power Conversion Technology NRA Overview

The focus of the National Aeronautics and Space Administration's (NASA) Radioisotope Power Systems (RPS) Development program is aimed at developing nuclear power and technologies that would improve the effectiveness of space science missions. The Radioisotope Power Conversion Technology (RPCT) NASA Research Announcement (NRA) is an important mechanism through which research and technology activities are supported in the Advanced Power Conversion Research and Technology project of the Advanced Radioisotope Power Systems Development program. The purpose of the RPCT NRA is to advance the development of radioisotope power conversion technologies to provide higher efficiencies and specific powers than existing systems. These advances would enable a factor of two to four decrease in the amount of fuel and a reduction of waste heat required to generate electrical power, and thus could result in more cost effective science missions for NASA. The RPCT NRA selected advanced RPS power conversion technology research and development proposals in the following three areas: innovative RPS power conversion research, RPS power conversion technology development in a nominal 100 W(sub e) scale; and, milliwatt/multi-watt RPS (mWRPS) power conversion research. Ten RPCT NRA contracts were awarded in 2003 in the areas of Brayton, Stirling, thermoelectric (TE), and thermophotovoltaic (TPV) power conversion technologies. This paper will provide an overview of the RPCT NRA, a summary of the power conversion technologies approaches being pursued, and a brief digest of first year accomplishments.

Anderson, David J.

NASA Radioisotope Power Conversion Technology NRA Overview

The focus of the National Aeronautics and Space Administration s (NASA) Radioisotope Power Systems (RPS) Development program is aimed at developing nuclear power and technologies that would improve the effectiveness of space science missions. The Radioisotope Power Conversion Technology (RPCT) NASA Research Announcement (NRA) is an important mechanism through which research and technology activities are supported in the Advanced Power Conversion Research and Technology project of the Advanced Radioisotope Power Systems Development program. The purpose of the RPCT NRA is to advance the development of radioisotope power conversion technologies to provide higher efficiencies and specific powers than existing systems. These advances would enable a factor of 2 to 4 decrease in the amount of fuel and a reduction of waste heat required to generate electrical power, and thus could result in more cost effective science missions for NASA. The RPCT NRA selected advanced RPS power conversion technology research and development proposals in the following three areas: innovative RPS power conversion research, RPS power conversion technology development in a nominal 100We scale; and, milliwatt/multi-watt RPS (mWRPS) power conversion research. Ten RPCT NRA contracts were awarded in 2003 in the areas of Brayton, Stirling, thermoelectric (TE), and thermophotovoltaic (TPV) power conversion technologies. This paper will provide an overview of the RPCT NRA, a summary of the power conversion technologies approaches being pursued, and a brief digest of first year accomplishments.

Anderson, David J.

A review of recent activities in the NASA CELSS program

A CELSS (Controlled Ecological Life Support System) is a device that utilizes photosynthetic organisms and light energy to regenerate waste materials into oxygen and food for a crew in space. The results of studies with the CELSS program suggest that a bioregenerative life support system is a useful and effective method of regenerating consumable materials for crew sustenance. The data suggests that the operation of a CELSS in space is practical if plants can be made to behave predictably in the space environment. Much of the work centers on the biological components of the CELSS system. Ways of achieving high efficiency and long term stability of all components of the system are examined. Included are explorations of the conversion of nonedible cellulose to edible materials, nitrogen fixation by biological and chemical methods, and methods of waste processing. A description is provided of the extent to which a bioregenerative life support system can meet the constraints of the space environment, and the degree is assessed to which system efficiency and stability can be increased during the next decade.

Macelroy, R. D.

A review of recent activities in the NASA CELSS program

A CELSS (Controlled Ecological Life Support System) is a device that utilizes photosynthetic organisms and light energy to regenerate waste materials into oxygen and food for a crew in space. The results of theoretical and practical studies conducted by investigators within the CELSS program suggest that a bioregenerative life support system can be a useful and effective method of regenerating consumable materials for crew sustenance. Experimental data suggests that the operation of a CELSS in space will be practical if plants can be made to behave predictably in the space environment. Much of the work currently conducted within the CELSS program centers on the biological components of the CELSS system. The work is particularly directed at ways of achieving high efficiency and long term stability of all components of the system. Included are explorations of the conversion of nonedible cellulose to edible materials, nitrogen fixation by biological and chemical methods, and methods of waste processing. It is the intent of the presentation to provide a description of the extent to which a bioregenerative life support system can meet the constraints of the space environment, and to assess the degree to which system efficiency and stability can be increased during the next decade.

Macelroy, R. D.

Effect of cold-cap-bottom shear stress on primary foam stability

Here, we analyze the heat transfer between the melt pool and the layer of reacting materials called cold cap, which is the determining factor for the glass production rate in Joule-heated air-bubbled nuclear waste glass melters. We consider the effects of bubbling rate, melt viscosity, melt thermal conductivity, conversion kinetics, and shear rate at the cold-cap bottom, and develop simple relationships for the cold-cap bottom temperature and glass production rate. We show that the melt convection enhances the heat transfer to the cold cap by suppressing the thermal boundary layer and primary foam, while the conversion kinetics opposes these effects. Additionally, we mention how dissolving silica particles affects the primary foam stability and discuss the limitations of the presented approach for vigorously foaming feeds.

36 MATERIALS SCIENCE

Process Feasibility Analysis of Waste Biomass Valorization to Biochar and Bio-Oil via Slow and Fast Pyrolysis

The United States has abundant biomass and waste feedstock to support the nation's energy addition and affordability targets. Pyrolysis, a thermochemical conversion process, decomposes lignocellulosic feedstocks into liquid, solid, and gaseous fuels that can contribute to the domestic production of biofuels, biopower, and bioproducts. Growing private sector interest in this technology is a key motivation for this comprehensive techno-economic process modeling analysis of a respective biorefinery that includes feedstock preprocessing, slow and fast pyrolysis, and product separation to bio-oil, biochar, and syngas hydrocarbons. Results show that biochar from slow pyrolysis could achieve minimum selling prices (MSPs) of $\$$188-$\$$260/t, competitive with reported market values, while bio-oil from fast pyrolysis is estimated to yield MSPs of $\$$6.49-$\$$9.68/GGE, approximately twice conventional fuel benchmarks. Sensitivity analysis identifies feedstock cost, product yield, and scale as primary cost drivers, while scenarios involving biochar carbon credits and high value applications may substantially improve economics. Overall, these results suggest that continued innovation in feedstock logistics, process integration, and market development will be critical to achieving economically viable and scalable bioproducts.

09 BIOMASS FUELS

Upcycling of polyethylene terephthalate to high-value chemicals by carbonate-interchange deconstruction

Condensation thermoplastics have become ubiquitous. The emergence of chemical upcycling could transform them into valuable feedstocks for chemical manufacturing at their end-of-life. However, current solvolysis processes suffer equilibrium limitations due to the liberation of reactive byproducts. We report a carbonate interchange deconstruction (CID) methodology for poly(ethylene terephthalate) (PET), where carbonates act as both latent nucleophiles and byproduct sequestering agents. High product selectivity (>95%) is achieved regardless of the targeted terephthalate product, originating from removal of ethylene glycol from the reaction equilibrium via its conversion into various oligoethers. CID is robust to the impurities present in post-consumer waste plastics and significantly reduces solvent demand, with just 10 mL of dimethyl carbonate successfully converting ca. 5 g of mixed PET waste into highly pure dimethyl terephthalate in excellent isolated yield (92%). CID opens a new upcycling paradigm wherein CO2, embedded in carbonates, is leveraged to choreograph the selectivity of an otherwise equilibrium-controlled polymer upcycling process.

Galan, Nick [ORNL]

Solar thermionic power systems for terrestrial applications

The results of a feasibility study which showed that a low-temperature, high-efficient thermionic power system can efficiently convert solar energy to electrical energy without heat transport, as required by most solar thermal systems are described. A 3-dimensional (2-axis tracking) 93 sq m parabolic solar concentrator, consisting of mirrors on a foam glass substrate and designed to a concentration ratio (mirror area/aperture area) of 2000 is considered for producing a design temperature of 1100 C at an efficiency of 74%. A tracking subsystem must track the sun at an accuracy of a nominal plus or minus 1.0 degree for maximum use of the sun's energy. Each complete solar thermionic power system unit rated at about 20 kWe peak can generate approximately 48,000 kWh/yr. In addition, a thermal energy conversion system can be cascaded within the thermionic power system so that the high quality waste heat can be further utilized to increase the net electrical output. Potential applications of a solar thermionic power generation system are remote sites, apartment house complexes, heating and cooling, hydrogen production and large power stations.

Shimada, K.

UF6 breeder reactor power plants for electric power generation

The reactor concept analyzed is a U-233F6 core surrounded by a molten salt (Li(7)F, BeF2, ThF4) blanket. Nuclear survey calculations were carried out for both spherical and cylindrical geometries. Thermodynamic cycle calculations were performed for a variety of Rankine cycles. A conceptual design is presented along with a system layout for a 1000 MW stationary power plant. Advantages of the gas core breeder reactor (GCBR) are as follows: (1) high efficiency; (2) simplified on-line reprocessing; (3) inherent safety considerations; (4) high breeding ratio; (5) possibility of burning all or most of the long-lived nuclear waste actinides; and (6) possibility of extrapolating the technology to higher temperatures and MHD direct conversion.

Rust, J. H.