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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Computational fluid dynamics modeling and analysis of silica nanoparticle synthesis in a flame spray pyrolysis reactor

Flame Spray Pyrolysis (FSP) is a method for large-scale production of nanoparticles and nanoscale powders employed in a wide range of industrial applications. Particle size and morphology are complex functions of the physicochemical phenomena occurring in the FSP reactor. An extensive study of FSP-related phenomena can be utilized to develop effective strategies for achieving desired particle size/morphology and scaling up the overall yield of an FSP system. In this work, a computational fluid dynamics (CFD) model of an FSP reactor is developed to simulate the coupling of key phenomena involved in the particle synthesis process: liquid spray breakup and evaporation, mixing, combustion, and particle formation/growth of silica nanoparticles. Herein, the particle sizes and their distributions from the CFD simulations are validated against experimental data. Subsequently, the simulations are utilized to investigate the impact of process parameters on the resultant flame dynamics and particle growth. Firstly, the CFD results show that the particle sizes are strongly correlated with the precursor concentration in the solvent. At lower precursor concentrations, the spread of the distribution is relatively insensitive to the value of the concentration. At higher concentrations, the spread is higher as the collision probability between particles is higher. Secondly, increasing the pilot flow rate increases the length of the pilot flames impacting the local ignition location of the spray flame. Lastly, it is shown that the dispersion gas flow rate strongly influences the spray flame shape. This shape can be used for control of particle growth as it helps determine the regions of high temperature and the residence time of the particles in the high temperature region enabling the design and process optimization of the FSP reactor.

42 ENGINEERING↗
DOE OSTI2020

Online ion mobility spectrometry of nanoparticle formation by non-thermal plasma conversion of metal salts in liquid aerosol droplets

The synthesis of nanoparticles by reaction of liquid aerosol droplets containing precursors in a flow-through, atmospheric-pressure, non-thermal plasma offers a continuous, scalable, substrate- and stabilizer-free approach for direct deposition into liquids or onto soft substrates. However, the combination of multiphase and non-equilibrium chemistry makes the process complicated and poorly understood. Here, we present ion mobility spectrometry measurements of liquid water droplets containing silver nitrate passing through an atmospheric-pressure dielectric barrier discharge reactor that allows us to monitor silver nanoparticle formation online for the first time. Mobility diameter distributions were obtained with the plasma on and off, and exhibited a shift, which was related to the degree of conversion of silver nitrate. The silver nanoparticles were also collected and characterized by UV–visible absorbance spectroscopy and transmission electron microscopy to support the online measurements. Importantly, negligible conversion was found when the water was removed by a diffusion dryer, suggesting that the key reducing species are in the liquid phase, such as solvated electrons. Finally, the study demonstrates how ion mobility spectrometry measurements can be applied to provide insight into this approach to nanoparticle synthesis.

42 ENGINEERING↗
DOE OSTI1995

Nuclear Safety [Vol. 36, No. 1, January-June 1995]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. THE CHORNOBYL ACCIDENT: 1 The Chornobyl Accident Revisited, Part II: The State of the Nuclear Fuel Located Within the Chornobyl Sarcophagus, A A. Borovoi and A. R. Sich; GENERAL SAFETY CONSIDERATIONS: 33 Nuclear Power Safety in Central and Eastern Europe, R. Wilson; 46 Safety of Nuclear Power Reactors in the Former Eastern European Countries, S. Chakraborty; 53 Technical Note: On the Definition of Common-Cause Failures, H. Paula; ACCIDENT ANALYSIS: 58 Modeling and Analysis of Core-Debris Recriticality During Hypothetical Severe Accidents in the Advanced Neutron Source Reactor, S.-H. Kim, V. Georgevich, D. B. Simpson, C. O. Slater, and R. P. Taleyarkhan; 68 Ignitability of Hydrogen/Oxygen/Diluent Mixtures in the Presence of Hot Surfaces, R. K. Kumar and G. W. Koroll; 94 Coupled RELAP5 and CONTAIN Accident Analysis Using PVM, K. A. Smith, A. J. Baratta, and G. E. Robinson; CONTROL AND INSTRUMENTATION: 109 Application of Fuzzy Logic in Nuclear Reactor Control Part I: An Assessment of State-of-the-Art, A. S. Heger, N. K. Alang-Rashid, and M. Jamshidi; DESIGN FEATURES: 122 Twenty-Third DOE/NRC Nuclear Air-Cleaning and Treatment Conference, R. R. Bellamy, J. J. Hayes, and M. W. First; ENVIRONMENTAL EFFECTS: 135 Atmospheric Dispersion and the Radiological Consequences of Normal Airborne Effluents from a Nuclear Power Plant, D. Fang, C. Z. Sun, and L. Yang; 142 Calculation of Distribution Coefficients for Radionuclides in Soils and Sediments, I. Puigdomenech and U. Bergstrom: OPERATING EXPERIENCES: 155 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 158 Operating Experience Feedback Report—Reliability of Safety-Related Steam Turbine-Driven Standby Pumps Used in U.S. Commercial Nuclear Power Plants, J. R. Boardman; 166 Turbine Building Hazards, H. L Ornstein; RECENT DEVELOPMENTS: 169 Reports, Standards, and Safety Guides, D. S. Queener; 175 Proposed Rule Changes as of Dec. 31,1994; ANNOUNCEMENTS: 32 Harvard School of Public Health In-Place Filter Testing Workshop; 134 International Conference on Advances in the Operational Safety of Nuclear Power Plants; 193 30th Tennessee Industries Week; 193 DOE Technical Standards Program 1995 Workshop; 194 Multiphase Flow Experiments and Instrumentation; 180 The Authors; 185 Indexes to Nuclear Safety, Volumes 34 and 35.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Development of a multiphase PIC model for slurry flow modeling

MFIX-Exa is a recently released multiphase CFD code originally developed for the simulation of particle-laden gas-solid flows. Due to its high-performance computing capabilities, MFIX-Exa is an ideal candidate for scale-up studies of slurry reactors, specifically the coarse-grained particle-in-cell (PIC) model with its statistical treatment of the particle phase. Unfortunately, several physical models that were neglected during original development because they are not relevant for high-density ratio gas-solid flows are important in slurry flows where the particle-to-fluid density ratio is near unity. In this preliminary work we focus on the effective (suspension) viscosity. The models of Brinkman (1952), Krieger and Dougherty (1956), and Cheng and Law (2003) are considered. The impact of the effective viscosity model is studied on horizontal pipe flow. The experimental data of Gillies et al. (2002) is used to assess the pressure drop predictions.

Fullmer, William D.↗
DOE OSTI2020

MESOSCALE THERMAL TRANSPORT MEASUREMENTS OF MULTI-PHASE AND POROUS NUCLEAR FUELS USING A SQUARE-WAVE PULSE THERMOREFLECTANCE TECHNIQUE

The safe and efficient operation of nuclear reactors require accurate knowledge of peak temperatures in the fuel assemblies. The temperature profiles are governed by the thermal transport properties of the fuel, namely the thermal conductivities (k) and thermal diffusivities (D). These values can be very difficult to measure as they are known to vary considerably from the measured bulk values of the fresh fuel, and quickly degrade with increasing burnup [1 -3] . Laser-based techniques have been effectively used for non-destructive and non-contact thermal transport measurements of a wide variety of materials, including nuclear materials [4-6] that would otherwise prove too hazardous or difficult to measure otherwise. In this study, a new thermoreflectance technique known as square-pulse transient thermoreflectance (SPTR) is described and used to determine the mesoscale thermal diffusivity of both uranium sesquisilicide (U3Si2) and uranium nitride (UN) phases in a composite fuel with micron level spatial resolution [7]. This technique employs a rapid train of square-wave pulses from an excitation laser to create a periodic heat flux on a gold coated sample surface. Surface adsorption results in transient film temperatures and hence rapid fluctuations in thermoreflectance that can be measured via a detection laser coupled with a digital oscilloscope. The lasers are coaxially focused on the sample surface, allowing for a sample measurement area of a single convolved laser spot size (~2 µm). A sensitivity analysis was conducted to identify key measurement parameters of this technique using reference materials with a range of thermal conductivities comparable to those of both ceramic, composite, and metal nuclear fuel types (1.4 – 27.2 W/m-K). The reference materials were measured using the new technique as well as a spatial-domain thermoreflectance technique (SDTR) previously reported for a comparison [8]. Additionally, measurements of several U3Si2 and UN phase regions of a polished UN/U3Si2 (70/30 vol.%) sample were taken, and the resulting calculated D values are reported, with both techniques showing excellent agreement between samples. This technique was used to scan a multiphase region at 5 micron increments to generate a local diffusivity map, demonstrating the utility of the techniques for measuring thermal transport properties in specimens with precipitates and secondary phases. Furthermore, the technique is currently being applied to measure thermal properties of Fast Flux Test Reactor (FFTR) irradiated metal fuel specimens whose porous microstructure make it very difficult to measure using other techniques. Comparison of the local scale measurements are compared with the pre-irradiated fuel samples to show the degradation of thermal transport in fuels due to pores from fission gas bubbles and other irradiation induced defects.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Sizing and Selection of Pressure Relief Valves for High-Pressure Thermal–Hydraulic Systems

This study covers the critical concerns related to the sizing, selection, installation, maintenance, and testing of pressure safety valves (PSVs). The aim is to ensure the safety of pressurized systems, hydrostatic transmission systems, and hydraulic plants, including process plants, thermal power plants, and nuclear reactor systems. PSVs are devices that ensure the safety and reliability of pressurized vessels, lines, and systems during overpressure events. The task of selecting which PSV features are of greatest value for a specific purpose is complex—especially in the design of a high-pressure experimental thermal–hydraulic facility for hydrostatic and transient testing of the reactor system—when the systems are in the design and development phases and require qualification and demonstration to prove that they have reached a given level of technological readiness. The present study highlights the required steps for users to follow the associated rules, guidelines, and recommendations. As a part of this research, case studies are presented to help readers better understand the applicable strategy and standards. A discussion and a review of PSV performance degradation and failure are summarized to provide a better understanding of varied process applications and conditions, including fluid flow dynamics, boundary-layer formation and pressure drops, gas bubble formation and collapse, geometric configurations, inlet/outlet piping, abrupt pressure fluctuations, and acoustic resonance. Moreover, this study discusses the servicing and testing of PSVs in a multiphase pressurized system. Overall, it provides a basic overview of how PSVs ensure the safety of pressurized systems, supported by case studies and industrial practices.

02 PETROLEUM↗
DOE OSTI2021

Bridging Scales in Bioenergy and Catalysis: A Review of Mesoscale Modeling Applications, Methods, and Future Directions

Between the molecular and reactor scales, which are familiar to the chemical engineering community, lies an intermediate regime, here termed the “mesoscale,” where transport phenomena and reaction kinetics compete on similar time scales. Bioenergy and catalytic processes offer particularly important examples of mesoscale phenomena owing to their multiphase nature and the complex, highly variable porosity characteristic of biomass and many structured catalysts. In this review, we overview applications and methods central to mesoscale modeling as they apply to reaction engineering of biomass conversion and catalytic processing. A brief historical perspective is offered to put recent advances in context. Applications of mesoscale modeling are described, and several specific examples from biomass pyrolysis and catalytic upgrading of bioderived intermediates are highlighted. Methods including reduced order modeling, finite element and finite volume approaches, geometry construction and import, and visualization of simulation results are described; in each category, recent advances, current limitations, and areas for future development are presented. Owing to improved access to high-performance computational resources, advances in algorithm development, and sustained interest in reaction engineering to sustainably meet societal needs, we conclude that a significant upsurge in mesoscale modeling capabilities is on the horizon that will accelerate design, deployment, and optimization of new bioenergy and catalytic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Experimental and Simulation Analysis of Binary Mixtures of Biomass and Inert Material

A literature review was conducted to identify experiments on various scales of biomass combustion specific to circulating fluidized bed (CFB) combustors. Typical feedstock and inert bed material characteristics for biomass combustion in a CFB were gathered. This information was used to design laboratory-scale, non-reacting experiments on biomass-inert bed material mixtures in a 1-in. cylindrical test rig in the Multiphase Flow Analysis Laboratory (MFAL) in Morgantown, WV. The biomass chosen was a hardwood. Pellets from the hardwood were milled and sieved to obtain three size ranges—small, medium, and large. Three mass loadings of each of the biomass samples were fluidized with glass beads as the inert bed material to study the mixing characteristics under varying fluidizing gas velocities. Hydrodynamic data including pressure drop measurements at select vertical locations and video recordings of the mixture behavior were generated in this effort.

09 BIOMASS FUELS↗
DOE OSTI2022

High-fidelity pool boiling simulations on multiple nucleation sites using interface capturing method

Boiling has proved to be one of the most efficient means for heat transfer and is a very important phenomenon during severe accident scenarios in light water reactors. High-fidelity pool boiling simulations can provide a numerical database for improving mechanistic boiling models by allowing for specific evaluation of interactions among bubbles. Previously published pool boiling simulations investigated two nucleation sites in which bubble growth at one site suppressed nucleation at the other site. Based on previous study results, more complicated interface-capturing simulations on pool boiling were conducted using PHASTA code with locally refined unstructured mesh. First, different boundary conditions (BCs) were assessed to support robustness and reproducibility of the boiling model. Then, a scale study was conducted at a larger domain with nine nucleation sites where either nine or four nucleation sites are activated. Involving more nucleation sites increased the complexity of bubble interactions from surrounding sites. Finally, bubble departure behavior influenced by wall heat flux was investigated. In this work, when heat flux was increased, the order of bubble departure changed, but diagonal bubbles always departed after one another. The departure time interval between the first and second bubble reduced as heat flux increased. The corresponding frequency was almost linearly proportional to the heat flux. In addition, bubble departure behavior was found to be greatly influenced by the nucleation site pattern. Multiple nucleation sites resulted in superimposed inhibitive effects from surrounding sites to each bubble, which extensively delayed the departure. This new observation was not discussed in previously published works. The work presented here provides new insight on the fundamental understanding of boiling phenomena, contributes to the development of a 3D multiphase computational fluid dynamics (M-CFD) model, and provides a more comprehensive database for data-driven pool boiling studies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2004

Research in Support of the Use of Rankine Cycle Energy Conversion Systems for Space Power and Propulsion

This is the report of a Scientific Working Group (SWG) formed by NASA to determine the feasibility of using a liquid metal cooled nuclear reactor and Rankine energy conversion cycle for dual purpose power and propulsion in space. This is a high level technical report which is intended for use by NASA management in program planning. The SWG was composed of a team of specialists in nuclear energy and multiphase flow and heat transfer technology from academia, national laboratories, NASA and industry. The SWG has identified the key technology issues that need to be addressed and have recommended an integrated short term (approx. 2 years) and a long term (approx. 10 year) research and development (R&D) program to qualify a Rankine cycle power plant for use in space. This research is ultimately intended to give NASA and its contractors the ability to reliably predict both steady and transient multiphase flow and heat transfer phenomena at reduced gravity, so they can analyze and optimize designs and scale-up experimental data on Rankine cycle components and systems. In addition, some of these results should also be useful for the analysis and design of various multiphase life support and thermal management systems being considered by NASA.

Lahey, Richard T., Jr.↗
DOE OSTI2026

Irradiation of UC1+x kernels using the MiniFuel vehicle: Microstructure, phase analysis, and initial post-irradiation examination

Uranium carbide is a candidate fuel form for a wide range of advanced reactors, including larger Generation IV reactors as well as small modular reactors and microreactors. However, its commercial deployment timeline faces challenges via traditional qualification approaches. To address this issue, an accelerated fission rate irradiation test was performed to collect basic fuel performance data to inform fuel performance models and potential future integral tests. Hyperstoichiometric UC (UC1+x) kernels were irradiated in the High Flux Isotope Reactor using the MiniFuel irradiation vehicle. The test matrix spanned two temperature regimes (700 °C and 800 °C) and burnup levels (1.8 % FIMA and 2.8 % FIMA). Between 21 and 63 kernels were tested at each unique temperature and burnup condition. As-fabricated microstructural analysis revealed a multiphase composition with UC, UC2, UC2−y, and U-C-O bearing phases for the irradiated kernels. Following irradiation, fission gas release, swelling, and microstructures were analyzed. Measured fission gas release was below 5 % for all irradiation conditions, reaching a maximum at the highest temperature and burnup condition. A binary swelling response was observed; the lower burnup and temperature conditions resulted in negligible swelling, but the higher burnup and temperature conditions produced significant anisotropic swelling and densification in a subset of kernels. The basic microstructural exams of kernels following irradiation were not capable of showing a correlation between kernels that exhibited excessive swelling and those that did not. Characterization of a subset of samples using the Advanced Photon Source and more detailed microstructural examination of unirradiated kernels revealed that a subset of kernels contained very high UC2 phase fractions. The anomalous swelling response is hypothesized to have been driven by this chemical variation. The results of this irradiation highlight the potential of accelerated fission rate irradiation testing to explore such behaviors and inform the development of fuel specifications.

Adorno Lopes, Denise [ORNL] (ORCID:000900023705987↗
DOE OSTI2020

Heterogeneous oxidation of amorphous organic aerosol surrogates by O 3 , NO 3 , and OH at typical tropospheric temperatures

Typical tropospheric temperatures render possible phase states of amorphous organic aerosol (OA) particles of solid, semisolid, and liquid. This will affect the multiphase oxidation kinetics involving the organic condensed-phase and gaseous oxidants and radicals. To quantify this effect, we determined the reactive uptake coefficients (γ) of O 3 , NO 3 , and OH by substrate films composed of single and binary OA surrogate species under dry conditions for temperatures from 213 to 313 K. A temperature-controlled coated-wall flow reactor coupled to a chemical ionization mass spectrometer was applied to determine γ with consideration of gas diffusion transport limitation and gas flow entrance effects, which can impact heterogeneous reaction kinetics. The phase state of the organic substrates was probed via the poke-flow technique, allowing the estimation of the substrates' glass transition temperatures. γ values for O 3 and OH uptake to a canola oil substrate, NO 3 uptake to a levoglucosan and a levoglucosan / xylitol substrate, and OH uptake to a glucose and glucose / 1,2,6-hexanetriol substrate have been determined as a function of temperature. We observed the greatest changes in γ with temperature for substrates that experienced the largest changes in viscosity as a result of a solid-to-liquid phase transition. Organic substrates that maintain a semisolid or solid phase state and as such a relatively higher viscosity do not display large variations in heterogeneous reactivity. From 213 to 293 K, γ values of O 3 with canola oil, of NO 3 with a levoglucosan / xylitol mixture, and of OH with a glucose / 1,2,6-hexanetriol mixture and canola oil, increase by about a factor of 34, 3, 2, and 5, respectively, due to a solid-to-liquid phase transition of the substrate. These results demonstrate that the surface and bulk lifetime of the OA surrogate species can significantly increase due to the slowed heterogeneous kinetics when OA species are solid or highly viscous in the middle and upper troposphere. This experimental study will further our understanding of the chemical evolution of OA particles with subsequent important consequences for source apportionment, air quality, and climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Identifying chemically similar multiphase nanoprecipitates in compositionally complex non-equilibrium oxides via machine learning

Abstract Characterizing oxide nuclear fuels is difficult due to complex fission products, which result from time-evolving system chemistry and extreme operating environments. Here, we report a machine learning-enhanced approach that accelerates the characterization of spent nuclear fuels and improves the accuracy of identifying nanophase fission products and bubbles. We apply this approach to commercial, high-burnup, irradiated light-water reactor fuels, demonstrating relationships between fission product precipitates and gases. We also gain understanding of the fission versus decay pathways of precipitates across the radius of a fuel pellet. An algorithm is provided for quantifying the chemical segregation of the fission products with respect to the high-burnup structure, which enhances our ability to process large amounts of microscopy data, including approaching the atomistic-scale. This may provide a faster route for achieving physics-based fuel performance modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multiphysics Computational-Fluid-Dynamics (CFD) for Design and Scale-Up of Gas Bioreactors that Utilize CO2

Gas fermentation technology offers sustainable and high carbon-efficiency routes to fuels and chemicals. However, efficiently delivering low-solubility substrate gases to production-scale bioreactors is a significant technical challenge that could limit productivity. We perform fundamental and applied multiphysics computational fluid dynamics (CFD) research targeting specific challenges of gas delivery in fermentation systems that utilize varied gas-compositions, for e.g. CO2/CO/CH4/H2 substrates: bubble dynamics, coupled mass-transfer and reaction, that can lead to optimal reactor designs at scale. This work will support BETO goals towards greenhouse gas reduction, derisking technologies toward commercialization/deployment and sustainable-aviation-fuel synthesis targets.

BIOMASS FUELS↗
DOE OSTI2020

Supo Thermal Model Development IV

This report describes the continuation of the Computational Fluid Dynamics (CFD) model of the Supo cooling system described in the reports, Supo Thermal Model Development, II, and III. In the previous reports, the solution natural convection of Supo was simulated using a 2D, axisymmetric model that altered the actual geometry. A 3D geometry of Supo will more accurately estimate the natural convection heat transfer coefficient (HTC) of the system since Supo contains several non-symmetric internal components that can only be modeled in 3D. This, in turn, will improve the natural convection HTC results for comparison purposes with past operational data and previous 2D CFD results. Unfortunately, the complexities of performing multiphase 3D CFD simulations has proven too large of a task for our current capabilities. Instead, this report will focus on the 3D model development for the 2.39 kW/L (31.3 kW) case and limitations and challenges associated with the 3D simulations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRSDate not supplied

Comprehensive 3D Multiphysics Model on Electrochemical Recovery of O 2 from Metabolic CO 2 at the International Space Station (ISS)

The International Space Station (ISS) is presently equipped with an elaborate, heavy, and high-power consuming system that recovers approximately 50% of O 2 from metabolic CO 2 as part of the atmospheric revitalization (AR) at the ISS habitat. Future long-duration missions will require a sustainable and efficient system capable of yielding a minimum of 75% O 2 recovery to reach the self-sufficiency required for long space missions beyond earth’s low orbit. A Macrofluidic Electrochemical Reactor (MFECR) technology development effort is currently underway at NASA Marshall Space Flight Center (MSFC) to not only increase significantly current O 2 recovery efficiency, improving self-sufficiency on AR at the ISS habitat and future long missions, but also reduce the complexity of the system. The authors have developed and deployed a comprehensive 3D multiphysics model that thoroughly replicates the actual configuration and fluid/material domains of the MFECR. The coupled physics in this multiphysics model include multicomponent-multiphase electrochemical-driven reactions, non-ideal mass transport mechanism, free and porous flow, heat transfer, CO 2 solubility on alkaline electrolyte, water condensation on porous medium, and DC electrical current generation along with Joule heating effect. This model is aimed to conduct quantitive benchmark on three different MFECR’s layouts, one without serpentine paths (plain) and two with serpentines leading to four and twelve paths respectively. Once experimental data is generated via a test matrix of 200 tests, the model will be validated to conduct MFECR’s process optimization and revalidate the quantitive benchmark on three different MFECR’s layouts.

Jesus A. Dominguez↗
NASA NTRSDate not supplied

Comprehensive Digital Twin of a Macro-fluidic Electrochemical Reactor to Optimize the Electrochemical-based Recovery of O2 from Metabolic CO2

Future long-duration missions will require a sustainable and efficient system capable of yielding a minimum of 75% O 2 recovery from metabolic CO 2 to achieve self-sufficiency for long space missions beyond Earth's low orbit. A Macro-fluidic Electrochemical Reactor (MFECR) development effort to electrochemically recover O 2 from CO 2 is underway at NASA Marshall Space Flight Center (MSFC) to increase current O 2 recovery efficiency and reduce air revitalization (AR) system complexity at the International Space Station (ISS) habitat and future long missions. The authors have developed and deployed a digital twin of an actual single cell of the MFECR via a comprehensive 3D multiphysics model that thoroughly replicates the exact configuration and fluid/material domains of the MFECR. This model's electrochemical physics consists of multicomponent-multiphase electrochemical-driven reactions leading to CO 2 conversion to C 2 H 4 and CO along with the formation of H 2 on the cathode in parallel with the generation of O 2 and H 2 O on the anode. This electrochemical model is coupled with all the physics phenomena involved in the process, including but not limited to fluid and non-ideal mass transfer of reactant and product species in free and porous media, convective/conduction/radiative heat transfer, and conduction of DC electrical current with Joule heating generation. The digital twin has proved to be an essential tool for performing different qualitative studies, including the effect of reducing the height (increasing the respect ratio) of the serpentine walls, leading to a further redesign of the EDU (the newly redesigned MFECR EDU has been fabricated and is expected to be used in future tests), the evaluation of setting different MFECRs connected in series, and the assessment of feeding air directly to the MFECR skipping the preceding metabolic CO 2 separation from air. The MFECR's test stand is fully automated and equipped with several inline measurements (flow, pressure, temperature, pH, component concentration) systems on all six MFECR's IO streams, allowing reliable experimental validation of the model, parametric determination of all electrochemical reactions, and process optimization.

Jesus A Dominguez↗
DOE OSTI2023

Optimization of a cyclone using MFIX and Nodeworks

Video depicting the optimization process of a cyclone on NETL's chemical looping reactor (CLR) using MFIX and Nodeworks. MFIX is used to model the cyclone using PIC. Nodeworks is then used to generate proposed geometry changes using a Latin hypercube. Each design is simulated, with an objective value being computed based on the cyclone efficiency and pressure drop. A Gaussian Process surrogate model is then constructed from the objective values. This surrogate model is then used by a differential evolution optimization algorithm to identify the optimal cyclone design. Details published here: Weber, J., Fullmer, W., Gel, A., and Musser, J. (February 4, 2020). "Optimization of a Cyclone Using Multiphase Flow Computational Fluid Dynamics." ASME. J. Fluids Eng. March 2020; 142(3): 031111. https://doi.org/10.1115/1.4045952 OSTI: https://www.osti.gov/pages/servlets/purl/1763893

cyclone↗