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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Functionalized Magnetic Nanoparticles for Technetium Sequestration from Groundwater

Technetium 99 (Tc) is among the most common environmental contaminants at DOE sites and one of the most common risk drivers in low- and high-level waste disposal sites. The majority of Tc is generated from anthropogenic sources, such as nuclear power plants, global weapons, nuclear storage facilities and medical applications. Through these sources, Tc contamination has been unintentionally introduced in to the environment. The most common chemical form of Tc is Tc(VII)O{sub 4}{sup -}. Due to its high solubility and mobility, Tc can enter the food chain and cause adverse health effects to humans. Currently, ion exchange resins and reduction processes are the most common approaches for Tc immobilization. Although these techniques have shown to be effective, they also possess major drawbacks, such as high cost, low adsorption capacity, and complex creation and maintenance. Therefore, development of more efficient and simple technologies for the remediation of Tc-contaminated systems are needed. Functionalized magnetic nanoparticles have been used to remove organic and inorganic contaminants from water resources. These nanoparticles have attracted extensive attention as an adsorbent material due to their large surface area, high efficiency, low-cost, easy functionalization and separation with a magnet. This study seek to develop functionalized magnetic iron oxide nanoparticles for the efficient removal of Tc and other heavy metal contaminants from water resources under ambient conditions. Objectives: Synthesize magnetic iron oxide nanoparticles and functionalize their surface with Cetyltrimethylammonium Bromide (CTAB) and tetraethyl-orthosilicate (TEOS). Characterize the synthesized nanoparticles using scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDS), Dynamic Light Scattering (DLS) and Zeta PALS. Perform adsorption studies to evaluate their adsorption behavior and capacity for (a) Technetium using Rhenium (ReO{sub 4}{sup -}) as a surrogate and (b) heavy metals, e.g. Cu{sup 2+}. Conclusions: Magnetic iron oxide nanoparticles were successfully functionalized with CTAB and TEOS. The functionalization of the iron oxide nanoparticles affects their surface charge and their hydrodynamic diameter. The addition of CTAB or TEOS decreased the hydrodynamic diameter of the nanoparticles due to repulsive and steric forces. The SEM micrographs show spherical nanoparticles of different sizes. The EDX analysis shows the presence of iron and oxygen from the iron oxide crystalline structure, and the different constituents of the CTAB and TEOS molecules. Proof-of-concept shows the successful adsorption of rhenium (ReO{sub 4}{sup -}) and copper Cu{sup 2+}) onto CTAB-Fe{sub 2}O{sub 3} and TEOS-Fe{sub 2}O{sub 3} respectively.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Dismantling of the Spent Resins Hot Compaction Unit at Tihange NPP, Belgium - 19139

Design, construction and commissioning of the Spent Ion Exchange Resins Hot Compaction Unit at Tihange Nuclear Power Plant took place from 2005 till 2011. In this conditioning process, batches of radioactive resin beads were first dried to less than 4% moisture by a conical vacuum dryer. Resins were then poured in compactable 200-liter drums and super-compacted. Resulting pellets were emplaced in standard 400-liter drums, the packages qualified for final disposal in Belgium, and eventually grouted. The Belgian Waste Management Agency (ONDRAF/NIRAS) was consulted before initiating the project and issued a statement of no objection. The technology turned out to be used for the first time in the particular case of bead shaped resins (unlike powdered resins) and with a grouting requirement. Finally, commissioning tests ended in a safe and reproducible waste form, compliant with prevailing Waste Acceptance Criteria. Volume Reduction Factors of about 2 were recorded after drying and compaction. New tests were carried out to support the Qualification File of the process, which was submitted to ONDRAF/NIRAS. After performing many trials using inactive resins, the Operator dried two batches of radioactive resins and super-compacted four drums: this was a planned qualification step, aiming at the validation of process parameters. In the meantime, ONDRAF/NIRAS made parallel progress in the design of the future Near Surface Repository, where conditioned resins will be disposed of, and found some incompatibility between encapsulated dried resin beads and water intrusion hazards inside the repository. Based on the risk that dried resin beads will swell if they absorb water, causing mechanical stresses likely to compromise the integrity of the disposal site, ONDRAF/NIRAS informed Tihange NPP that the Hot Compaction Unit would not be qualified as spent resins conditioning process. Further to this irrevocable decision, the Operator undertook three actions: - The first one was the qualification and purchase of waste containers to provide additional temporary storage capacity on site for its operational spent resins; - The second one is the selection of a new spent resins conditioning process and the performance of the related qualification tests to demonstrate it meets the updated Waste Acceptance Criteria; - The last one is the dismantling of the Hot Compaction Unit to clear the space and enable the installation of new equipment. This latter task was carried out in 2018, involving decontamination and free release measurements of all the materials, a very limited fraction of it having to be further processed as radioactive waste. Nevertheless, Tihange NPP wishes to keep the super-compactor and its hydraulic unit for a possible resale or reuse for the treatment of mixed waste. (authors)

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

Ultrafast Spectral Dynamics of CsPb(Br x Cl 1– x ) 3 Mixed-Halide Nanocrystals

In this study we investigated the spectral dynamics of cesium lead mixed-halide, CsPb(Br x Cl 1– x ) 3 perovskite nanocrystals probed with complementary spectral techniques: time-resolved photoluminescence and transient absorption spectroscopy. Mixed-halide perovskite nanocrystals were synthesized via a hot-injection method followed by anion exchange reactions. Our results show that increased Cl content in perovskite nanocrystals (a) diminished the photoluminescence quantum yield and gave rise to rapid radiative recombination of carriers; (b) resulted in rapid thermalization of hot carriers and low carrier temperatures, which suggests weaker hot-phonon bottleneck and Burstein–Moss effects; (c) decreased the bandgap renormalization energy, which suggests high exciton binding energy and poor charge extraction in Cl substituted perovskite nanocrystals; and (d) increased the number of carriers undergoing Auger losses, where Auger processes dominate over trap-assisted recombination. Furthermore, these findings provide a generalized framework to guide researchers as to when mixed-halide perovskite nanocrystals would be useful for optoelectronic technologies and when they would be detrimental to device performance.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Cyclic olefin copolymer-based reinforced anion exchange membranes for water electrolyzers

Anion exchange membranes (AEMs) have emerged as a promising technology for water electrolysis in hydrogen production since they offer significant cost reduction in choices of electrocatalysts and bipolar plates. However, AEMs satisfying multiple requirements of high ionic conductivity, good chemical stability, robust mechanical properties, scalable synthesis, and low manufacturing costs are rare. Herein, we introduce quaternary ammonium functionalized cyclic olefin copolymers (COCs) as a new class of chemically stable and low-cost AEM materials. To further enhance the mechanical robustness, we prepared reinforced composite AEMs by impregnating the ionically functionalized COC into a mechanically robust matrix. The resulting reinforced composite membrane exhibits a high hydroxide conductivity of 127 mS cm −1 and excellent mechanical strength. In water electrolyzers, the MEA demonstrated outstanding performance, achieving a current density of 2.24 A cm −2 at 1.8 V, attributable to high conductivity, enhanced mechanical properties, and good alkaline stability of the composite membrane. These results indicate that the COC-based AEMs demonstrate good potential for application in AEM electrolyzers.

08 HYDROGEN↗
DOE OSTI2020

Operational Modes of a 2.0 MWth Chloride Molten-Salt Pilot-Scale System

The limit of traditional solar-salt thermal stability is around 600 °C with ambient air as the cover gas. Nitrate molten salt concentrating solar power (CSP) systems are currently deployed globally and are considered to be state-of the art heat transfer fluids (HTFs) for present day high-temperature operation. However, decomposition challenges occur with these salts for operation beyond 600 C. Although slightly higher limits may be possible with solar salt, to fully realize SunShot efficiency goals of $15/kWhth HTFs and an LCOE of 6¢/kWh, molten-salt technologies working at higher temperatures (e.g., 650 °C to 750 °C) will require an alternative salt chemistry composition, such as chlorides. In this investigation a 2.0MWth Pilot-scale CSP plant design is developed to assess thermodynamic performance potential for operation up to 720 C. Here, an Engineering Equation Solver (EES) model is developed with respect to 14 state-points from the base of a solar tower at the Sandia National Laboratories, National Solar Thermal Test Facility (NSTTF), to solar receiver mounted 120 ft. above the ground. The system design considers a ternary chloride ternary chloride (20%NaCl/40%MgCl/40%KCl by mol%) salt as the HTF, with 6 hrs. of storage and a 1 MWth primary salt to sCO2 heat exchanger. Preliminary system modelling results indicate a minimum non-dimensional Cv of 60 required for both cold and hot-side throttle recirculation valves for the operational pump operating between speeds of 1800 and 2400 RPM. Further receiver comparison study results suggest that the ternary salt requires an average 15.2% higher receiver flux with a slightly lower calculated receiver efficiency when compared to a binary carnelite salt to achieve a 2.0 MWth desired input power design.

associated liquids↗
DOE OSTI2022

Computed Tomography Scanning and Geophysical Measurements of the Enhanced Geothermal Systems (EGS) Collab SURF Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from 8 wells from the Enhanced Geothermal Systems (EGS) Collab project located in the Sanford Underground Research Facility’s (SURF) 4850 level. The work in this report falls in Experiment 1 in a three-phase experiment, with the primary purpose to increase understanding of hydraulic fracturing. The primary impetus of this work is a collaboration between U.S. Department of Energy (DOE) and the EGS Collab. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/surf-collab-core. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. None of the equipment used was suitable for direct visualization of the pore space in the core, although fractures and discontinuities were detectable with the methods tested. Low resolution CT imagery with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis as well as fractured zones. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

47 OTHER INSTRUMENTATION↗
NASA NTRS2003

Durability of Membrane Electrode Assemblies (MEAs) in PEM Fuel Cells Operated on Pure Hydrogen and Oxygen

Proton exchange membrane (PEM) fuel cells are energy sources that have the potential to replace alkaline fuel cells for space programs. Broad power ranges, high peak-to-nominal power capabilities, low maintenance costs, and the promise of increased life are the major advantages of PEM technology in comparison to alkaline technology. The probability of PEM fuel cells replacing alkaline fuel cells for space applications will increase if the promise of increased life is verified by achieving a minimum of 10,000 hours of operating life. Durability plays an important role in the process of evaluation and selection of MEAs for Teledyne s Phase I contract with the NASA Glenn Research Center entitled Proton Exchange Membrane Fuel cell (PEMFC) Power Plant Technology Development for 2nd Generation Reusable Launch Vehicles (RLVs). For this contract, MEAs that are typically used for H2/air operation were selected as potential candidates for H2/O2 PEM fuel cells because their catalysts have properties suitable for O2 operation. They were purchased from several well-established MEA manufacturers who are world leaders in the manufacturing of diverse products and have committed extensive resources in an attempt to develop and fully commercialize MEA technology. A total of twelve MEAs used in H2/air operation were initially identified from these manufacturers. Based on the manufacturers specifications, nine of these were selected for evaluation. Since 10,000 hours is almost equivalent to 14 months, it was not possible to perform continuous testing with each MEA selected during Phase I of the contract. Because of the lack of time, a screening test on each MEA was performed for 400 hours under accelerated test conditions. The major criterion for an MEA pass or fail of the screening test was the gas crossover rate. If the gas crossover rate was higher than the membrane intrinsic permeability after 400 hours of testing, it was considered that the MEA had failed the test. Three types of MEAs out of the nine total membranes failed the test. The evaluation results showed that fuel cell operating conditions (current, pressure, stoichiometric flow rates) were the parameters that influenced the durability of MEAs. In addition, the durability test results indicated that the type of membrane was also an important parameter for MEA durability. At accelerated test conditions, the MEAs with casted membranes failed during the 400 hour test. However, the MEAs prepared from the casted membrane with support as well as extruded membranes, both passed the 400h durability test at accelerated operating test conditions. As a result of the MEA accelerated durability tests, four MEAs were selected for further endurance testing. These tests are being carried out with four-cell stacks under nominal fuel cell operating conditions.

Stanic, Vesna↗
DOE OSTI2019

Mass-Spectrometric Observation of C{sup +} Ions during Electrospray with In-Source Atomization

Carbon C{sup +} ions formed in a mass-spectrometric electrospray source with controlled in-source fragmentation and atomization interface have been observed for the first time. The measurements were performed in a special MI-20 LowMass mass spectrometer (MS-Bio LLC) using aqueous methanol solutions of lithium and beryllium salts. The peak of C{sup +} ions was substantially broadened as compared to the peaks of metal ions. A model is proposed that explains the formation of C{sup +} ions due to charge exchange immediately at the high-vacuum boundary near the skimmer output.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Geothermal Heat Recovery Complex: Large-Scale, Deep Direct-Use System in a Low-Temperature Sedimentary Basin (Final Report)

A feasibility study of using deep direct-use (DDU) geothermal energy to heat agricultural research facilities (ARFs) was conducted at the University of Illinois at Urbana-Champaign (U of IL) and its similar application to military facilities in the Illinois Basin (ILB). The geothermal energy system (GES) investigated utilizes low-temperature (30–90°C; 90–190°F) geothermal fluid (i.e., brine) from an extraction well that is part of a deep, two-well (doublet) system that extends to the bottom of the ILB. The geothermal reservoir modeled, the Mt. Simon Sandstone (MSS), is about 1,280 m (4,200 feet) deep and 457 m thick (1,500 feet) beneath the U of IL. The DDU GES surface infrastructure includes heat exchangers connected in-parallel to pipelines carrying the geothermal fluid and fresh cold and hot water. Analysis of the GES indicated that the MSS can provide a baseload of 2 MMBtu/hr to heat the ARFs by extracting 954 m³/d (6,000 barrels/day [bbl/d]) of geothermal fluid that has a temperature of 44–46 °C (111–115 °F). In addition to analyzing the levelized cost of heat (LCOH) and life cycle costs, the environmental effects of the DDU GES were evaluated, including reduced greenhouse gas (GHG) emissions and water consumption. Multiple system designs were evaluated and then ranked based on their maximum heating performance, energy efficiency, and cost recovery. This feasibility study identified the key components of the fully-integrated DDU technology that can be implemented, both technically and economically. The results and information from this study provides end-users and policy makers with guidance for additional research on the specific components of DDU technology such that its widespread use can provide an uninterruptible energy source, increase resilience from extreme weather conditions, reduce U.S. dependency on fossil fuels, and reduce greenhouse gas (GHG) emissions. The site-specific part of this study gives U of IL administrators a realistic and pragmatic assessment of the financial resources necessary to add a DDU GES in the MSS to the campus’ energy portfolio.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Sockeye Heat Pipe Analysis Code Verification and Validation

Some of the most promising microreactor designs currently under development utilize heat pipe technology to transfer heat from the reactor core to the secondary side heat exchanger, due to the technology’s compactness, efficiency, passivity, and reliability. Sockeye is an engineering-scale heat pipe tool developed under the Nuclear Energy Advanced Modeling and Simulation Program to be used for the design and safety analysis of microreactors. Sockeye’s core capability lies in a 1D, two-phase, compressible flow model, used to simulate the working fluid inside the heat pipe. Sockeye is built on the Multiphysics Object-Oriented Simulation Environment framework, which allows for seamless multiphysics coupling with other Nuclear Energy Advanced Modeling and Simulation tools and can thus be used in a full-scale simulation of a microreactor assembly, which can include hundreds of heat pipes. This paper presents some initial verification and validation assessments performed for Sockeye. We demonstrate good agreement between Sockeye’s numerical results and steady-state analytic solutions for velocity and pressure drop, with differences attributable to the underlying assumptions made by the analytic solutions. We also show that Sockeye reproduces analytic predictions of key operational limits, such as the capillary limit and the sonic limit. Finally, we compare Sockeye results to experimental data for the SAFE-30 heat pipe module test.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Thermally Anisotropic Building Envelope Integration into Panelized Metal Construction: Laboratory Evaluation in Guarded Hot Box

The Thermally Anisotropic Building Envelope (TABE) is an active building envelope system that can exchange thermal energy with a storage medium to reduce the building’s energy demand. TABE redirects thermal energy along thin conductive layers in the building envelope to hydronic loops that are connected to thermal energy storage (TES), where it will be available to offset future energy demand when the conditions are favorable. TABEs can also be connected with a geothermal loop to reduce the building’s heating and cooling loads. Due to the importance of thermally conductive metal layers to TABE function, this technology has potential for easy adoption into panelized metal construction. In this study, we illustrate the construction process of prototype metal panels containing TABE and the laboratory evaluation in Oak Ridge National Laboratory’s rotatable guarded hot box. The thermal performance of the prototype panel was assessed for both baseline and operational cases and the total heat flow extracted from the panel by TABE was quantified.

Howard, Daniel↗
DOE OSTI2026

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - Simulated Marine Hydrokinetic Tidal Turbine

The U.S. Department of Energy and National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis, hydrogen compression and storage, and variable hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset is part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with other energy technologies. This dataset contains inputs and outputs from simulations of a floating marine hydrokinetic turbine over approximately half a tidal cycle (~6.6 hours). Inflow conditions were derived from field measurements in Alaska’s Cook Inlet and represent a tidal environment in which the current speed ramps from near 0 m/s to a peak of 3 m/s and back. The original acoustic doppler current profiler dataset is publicly available on the Marine and Hydrokinetic Data Repository. In a full tidal cycle, the flow reverses and the rotor would reorient; this reversal was not modeled. In the Cook Inlet campaign , turbulence intensity was similar in both directions. Two inflow cases are included. In the first case, labeled “raw” in the files, the measured current time series was used directly in the InflowWind module of OpenFAST. Speed and direction were applied as a function of time and elevation, uniformly in the horizontal direction. With full spatial coherence, this approach captures high turbulent variability and results in pronounced power fluctuations, so it is considered a conservative, near-worst-case representation of loading. In the second case, labeled “average” in the files, a 30-minute moving average was applied to extract the slowly varying mean speed. The residual fluctuations about this mean were used to generate spatially varying, full-field turbulence inputs with TurbSim, giving a more physically realistic representation of the inflow across the rotor disk. Two random realizations were used to produce distinct inflow conditions for two OpenFAST simulations representing a two-turbine array. The same turbulence intensity is applied across the full time series, producing larger fluctuations at the start and end, where the mean speed is low. The second case is the more appropriate framework for performance and power assessment but overpredicts turbulence at lower flow speeds and underpredicts it at higher speeds. As the floating platform moves and the rotor changes its x-position, Taylor’s frozen turbulence hypothesis used by InflowWind assumes a constant rather than a time-varying mean velocity, introducing some inaccuracy in the velocity plane sampling. The turbine modeled is the 500-kW Reference Model 1, a horizontal-axis two-bladed hydrokinetic turbine on a four-column floating semisubmersible substructure . Simulations were performed using OpenFAST v4.1 with the Reference Open Source Controller (ROSCO) v2.10. All input files required to reproduce the simulations are included. The electrolyzer is a 1.25-MW proton exchange membrane type MC250 system manufactured by Nel . This unit supports up to 2.5 MW, but NLR has only a single 1.25-MW stack. The datasets report hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. The system controls hydrogen production by varying direct current applied to the stack, from a maximum of 3,000 A to a minimum safe operating current of 300 A, or 10%. Because the current–voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The simulated tidal turbine time series data was translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz. Each zip file represents a single tidal electrolysis experiment and is named: {technology}_{inflow method}_{number of 500 kW tidal turbines connected} For instance, “tidal-500kW-RM1_average_2.zip” is a 6-hour experiment using the 500-kW tidal reference model, scaled by 2x (1-MW) to better match the electrolyzer maximum of 1.25MW, fed with the 30-minute moving average current case. Each zip folder contains the following files: A .csv file of raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production in kilograms per hour, electrolysis power consumption, and input wave power. A .csv file combines all tidal profiles as "combined_tidal_experiments.csv." A separate experiment, “characterization_200.zip,” shows the MC250 electrolyzer steady-state response with 30-minute load steps over 5 hours and is accessible with this entry.

08 HYDROGEN↗
DOE OSTI2019

Analyses of Extreme Ultraviolet Spectra from Tokamak Plasmas

The most recent work was a one-year extension of work started in 2015, for a total duration of three years. During this time we performed detailed spectral analyses of extreme ultraviolet spectra taken by Lawrence Livermore National Laboratory on the National Spherical Torus Experiment and the Lithium Tokamak Experiment at Princeton Plasma Physics Laboratory, and the Alcator C-Mod tokamak at the Massachusetts Institute of Technology. Our analyses focused on the K-shell emission of lithium and the L-shell emission of oxygen, fluorine, carbon, aluminum, silicon, sulfur, and calcium, measured with the Long-Wavelength Extreme Ultraviolet Spectrometer from LLNL. Data analyses are complete, as documented by poster and oral presentations and by published papers. The most recent and final year focused on finishing and publishing the analysis of data from the NSTX tokamak and from the Alcator tokamak, which included documenting charge exchange-produced carbon lines in the EUV spectral region and emission lines from fluorinelike ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1998

Improved Electroformed Structural Copper and Copper Alloys

Electroforming offers a superior means for fabricating internally cooled heat exchangers and structures subjected to thermal environments. Copper is deposited from many such applications because of the good thermal conductivity. It suffers from mediocre yield strength as a structural material and loses mechanical strength at intermediate temperatures. Mechanical properties similar to those of electroformed nickel are desired. Phase 1 examined innovative means to improve deposited copper structural performance. Yield strengths as high as 483 MPa (70 ksi) were obtained with useful ductility while retaining a high level of purity essential to good thermal conductivity. Phase 2 represents a program to explore new additive combinations in copper electrolytes to produce a more fine, equiaxed grain which can be thermally stabilized by other techniques such as alloying in modest degrees and dispersion strengthening. Evaluation of new technology - such as the codeposition of fullerness (diamond-like) particles were made to enhance thermal conductivity in low alloys. A test fire quality tube-bundle engine was fabricated using these copper property improvement concepts to show the superiority of the new coppers and fabrications methods over competitive technologies such as brazing and plasma deposition.

Malone, G. A.↗
DOE OSTI2022

Measurement of Convective Heat Transfer Coefficients with Supercritical CO2 in Novel Additively Manufactured Helically Patterned Pin Fin Tubes Using the Wilson Plot Technique

This paper describes the measurement of convective heat transfer coefficients and friction factors for sCO2 flowing in pin-fin patterned pipes in the Heat Exchange and Experimental Testing (HEET) facility at the US DoE’s National Energy Technology Laboratory (NETL) in Morgantown, WV. The measurement procedures in the HEET rig were validated by conducting benchmark tests with smooth stainless-steel tube and comparing the results with published correlations for Nusselt number (Nu) and friction factor. Over typical Reynolds number range in sCO2, the measured Nu and friction factors were within 7% of classical correlations for smooth tube flow.The candidate pin fin patterned pipes were additively manufactured (AM) at the Oak Ridge National Laboratory. The pins were circular or elliptical in cross-section. Pin length to diameter aspect ratios were 1.33 and 2, while the pin diameter to tube diameter ratio was 0.188 and 0.125. Tests were performed for ReD varying from 6.9×104 to 2.2×105 and at conditions equivalent to the low pressure outlet (8.69 MPa, 361 K) of the low temperature recuperator (LTR) in an indirect sCO2 power cycle. The Wilson plot technique was utilized to measure the bulk heat transfer coefficients.For the better performing design (tube A, pin length to tube diameter ratio: 1.33, pin diameter to tube diameter ratio: 0.188), the local heat transfer coefficient increased by 112% relative to the Dittus-Boelter correlation at the LTR low pressure outlet. This corresponded to a 282% increase in the product of the heat transfer coefficient and the surface area. Large pressure drops across the test articles were observed.

Searle, Matthew↗
DOE OSTI2019

Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica–Exchange

A systematic and statistically robust protocol is applied for the evaluation of free energy calculations with and without replica-exchange. The protocol is based on ensemble averaging to generate accurate assessments of the uncertainties in the predictions. Comparison is made between FEP+ and TIES—free energy perturbation and thermodynamic integration with enhanced sampling—the latter with and without the so-called “enhanced sampling” based on replica-exchange protocols. Standard TIES performs best for a reference set of targets and compounds; no benefits accrue from replica-exchange methods. Evaluation of FEP+ and TIES with REST—replica-exchange with solute tempering—reveals a systematic and significant underestimation of free energy differences in FEP+, which becomes increasingly large for long duration simulations, is confirmed by extensive analysis of previous publications, and raises a number of questions pertaining to the accuracy of the predictions with the REST technique not hitherto discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗