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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Studies on the Encapsulation of Brine Generated from a Process Using Selective Electrodialysis Reversal

This topical report summarizes the laboratory testing, geochemical modeling, and mineralogical testing conducted to examine the efficacy of wastewater encapsulation for the brine generated from the Saltworks Flex electrodialysis reversal technology. Within the laboratory testing, the short- and long-term physical properties of seven separate mix designs were examined along with the leaching of each mix design. Additionally, geochemical thermodynamic modeling was used along with mineralogical analyses to help gain a fundamental understanding of the chemistry involved in the encapsulation process. Encapsulation is a process that results in the immobilization of constituents of interest by creating an engineered material that contains the waste within its matrix, both physically and chemically, in such a manner that the receiving environment is protected from adverse effects. Within the context of this study, encapsulation mix designs involved mixing the Saltworks brine with fly ash and various additives, principally lime (calcium oxide) and cement, to form a paste that eventually sets and hardens into a monolith upon placement in a landfill. Moisture conditioning fly ash with wastewater sources for on-site landfill disposal is a process that is in use at some sites and has been presented as a viable option to dispose of liquid wastes. However, because chemical reactions that can lead to sequestration of constituents of interest are not optimized, leaching can occur. Therefore, in this study, mixes were created to mimic moisture conditioning, as well as engineered pastes of varying mix designs. The study found that engineered encapsulation mixes provide significant resistance to leaching compared to moisture conditioning alone. The best performing encapsulation mix used lime as the additive, which proved superior to the use of cement. After 90 days of curing, this encapsulated mix was 5.5 times stronger than the moisture conditioned mix. Additionally, this mix exhibited an approximate 2.5 order of magnitude drop in hydraulic conductivity compared to the moisture conditioned mix. When comparing leaching, nearly all the chloride was found to evolve from the moisture conditioned mix, whereas only 6.7% of the chlorine contained in the best performing encapsulated mix leached out. Mineralogical analysis via X-ray diffraction (XRD) showed a significant concentration of the chloride sequestering mineral, Friedel’s salt, in the best performing encapsulation mix, whereas none was observed in the moisture conditioned mix, pointing to it being the primary chemical mechanism for chloride retention, along with the physical impermeability of the material. With respect to the modeling study, the model was successful in predicting the presence of most mineral phases observed in the XRD analysis.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1999

Thermodynamic Cycle Analysis of Magnetohydrodynamic-Bypass Airbreathing Hypersonic Engines

Established analyses of conventional ramjet/scramjet performance characteristics indicate that a considerable decrease in efficiency can be expected at off-design flight conditions. This can be explained, in large part, by the deterioration of intake mass flow and limited inlet compression at low flight speeds and by the onset of thrust degradation effects associated with increased burner entry temperature at high flight speeds. In combination, these effects tend to impose lower and upper Mach number limits for practical flight. It has been noted, however, that Magnetohydrodynamic (MHD) energy management techniques represent a possible means for extending the flight Mach number envelope of conventional engines. By transferring enthalpy between different stages of the engine cycle, it appears that the onset of thrust degradation may be delayed to higher flight speeds. Obviously, the introduction of additional process inefficiencies is inevitable with this approach, but it is believed that these losses are more than compensated through optimization of the combustion process. The fundamental idea is to use MHD energy conversion processes to extract and bypass a portion of the intake kinetic energy around the burner. We refer to this general class of propulsion system as an MHD-bypass engine. In this paper, we quantitatively assess the performance potential and scientific feasibility of MHD-bypass airbreathing hypersonic engines using ideal gasdynamics and fundamental thermodynamic principles.

Litchford, Ron J.↗
NASA NTRS2013

BD-22deg3467, a DAO-type Star Exciting the Nebula Abell 35

Spectral analyses of hot, compact stars with non-local thermodynamical equilibrium (NLTE) model-atmosphere techniques allow the precise determination of photospheric parameters such as the effective temperature (T(sub eff)), the surface gravity (log g), and the chemical composition. The derived photospheric metal abundances are crucial constraints for stellar evolutionary theory. Aims. Previous spectral analyses of the exciting star of the nebula A35, BD-22deg3467, were based on He+C+N+O+Si+Fe models only. For our analysis, we use state-of-the-art fully metal-line blanketed NLTE model atmospheres that consider opacities of 23 elements from hydrogen to nickel. We aim to identify all observed lines in the ultraviolet (UV) spectrum of BD-22deg3467 and to determine the abundances of the respective species precisely. Methods. For the analysis of high-resolution and high signal-to-noise ratio (S/N) far-ultraviolet (FUSE) and UV (HST/STIS) observations, we combined stellar-atmosphere models and interstellar line-absorption models to fully reproduce the entire observed UV spectrum. Results. The best agreement with the UV observation of BD-22deg3467 is achieved at T(sub eff) = 80 +/- 10 kK and log g = 7.2 +/- 0.3. While T(sub eff) of previous analyses is verified, log g is significantly lower. We re-analyzed lines of silicon and iron (1/100 and about solar abundances, respectively) and for the first time in this star identified argon, chromium, manganese, cobalt, and nickel and determined abundances of 12, 70, 35, 150, and 5 times solar, respectively. Our results partially agree with predictions of diffusion models for DA-type white dwarfs. A combination of photospheric and interstellar line-absorption models reproduces more than 90% of the observed absorption features. The stellar mass is M approx. 0.48 Solar Mass. Conclusions. BD.22.3467 may not have been massive enough to ascend the asymptotic giant branch and may have evolved directly from the extended horizontal branch to the white dwarf state. This would explain why it is not surrounded by a planetary nebula. However, the star, ionizes the ambient interstellar matter, mimicking a planetary nebula.

Ziegler, M.↗
NASA NTRS1985

Numerical simulation of convective response to mesoscale forcing

A two-dimensional mesoscale model was used to initialize a two-dimensional cloud model with both mesoscale thermodynamic and dynamic information utilized in the initialization. The Mesoscale-cloud mdoel linkage was used to examine differential convective response due to mesoscale variations for the April 24, 1982 Atmospheric Variability Experiment-Vertical Atmospheric Sounder (AVE-VAS), Case 4. On this day both data analyses and mesoscale model simulations indicated strong variations in thermodynamic and dynamic structure across the panhandle of Texas where a moderately strong convective line formed. Using the cloud model, the current research has shown a preferred area for strong convection to occur due to concomitant mesoscale convergence and mesoscale destabilization of the atmosphere.

Mcnider, R. T.↗
DOE OSTI2024

Coupled neutronics, thermochemistry, corrosion modeling and sensitivity analyses for isotopic evolution in molten salt reactors

This study presents a computational methodology for analyzing isotopic evolution and associated uncertainties in molten salt reactors (MSRs), focusing on both fluoride- and chloride-based fuel salts. The primary goal is to enhance the understanding of isotopic behavior in MSRs and provide data to support future experimental efforts. The methodology integrates transport-coupled depletion calculations using OpenMC, equilibrium thermodynamics modeling with Thermochimica, and a corrosion model. Sensitivity analyses are performed to evaluate the impact of power density, air ingress, and humidity content on isotopic evolution in MSR concepts. This study examines representative F- and Cl-based MSR designs, highlighting the dominant influence of power density on isotopic composition, which significantly affects isotope production and depletion rates, accounting for approximately 76% of the observed variance in element concentration. Air ingress and humidity content also affect the redox potential, solubility of heavier elements, and corrosion rates, thereby altering the expected isotopic evolution in the reactor. On average, air ingress accounts for around 17% of the variance in element concentrations, while humidity explains the remaining 7%. These variances differ significantly from element to element, depending on the element’s role in depletion, redox potential evolution, and galvanic corrosion. The findings indicate that power density, air ingress, and humidity content are all critical factors for optimizing reactor design and operational strategies. Furthermore, the study provides expected ranges for key impurities in the fuel salt, which are crucial for guiding future experimental studies and refining MSR designs. Finally, this study demonstrates the importance of modeling depletion coupled with the evolution of redox potential and chemical interactions in MSR fuel salts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Mechanistic Insights into Acetate Selectivity on Intermetallic CuPd(110) in CO Reduction

Experimental studies demonstrate that CuPd(110) uniquely favors acetate formation during CO reduction (CORR), contrasting with the preference for ethylene on Cu surfaces. To elucidate this selectivity, we employed explicit solvation density functional theory (DFT) calculations to investigate the reaction mechanism from both thermodynamic and kinetic angles. Here, our findings reveal that on CuPd(110), the acetate-pathway intermediate H 2 CCO is thermodynamically favored at experimental conditions, while CHCHO─a precursor to ethylene─is preferred on Cu(111). Beyond thermodynamics, we find that H 2 CCO is kinetically accessible under the experimental conditions on CuPd(110), aiding acetate formation. Electron density difference analyses further corroborate distinct protonation preferences supporting this mechanism. We propose a thermodynamic screening parameter based on the Gibbs free energy, G H 2 CCO < G CHCHO , as a guide for designing Cu-based catalysts with enhanced acetate selectivity. These results offer critical mechanistic insights into the CORR product distribution and a rational framework for future catalyst design.

Acetate↗
NASA NTRS1974

Feasibility and tradeoff study of an aeromaneuvering orbit-to-orbit shuttle (AMOOS)

This study establishes that configurations satisfying the aeromaneuvering orbit-to-orbit shuttle (AMOOS) requirements can be designed with performance capabilities in excess of the purely propulsive space tug. In view of this improved potential of the AMOOS vehicle over the propulsive space tug concept it is recommended that the AMOOS studies be advanced to a stage comparable to those performed for the space tug. This advancement is needed in particular in areas that are either peculiar to AMOOS or not addressed in sufficient detail in these studies to date. These areas include the thermodynamics problems, navigation and guidance, operations and economics analyses, subsystems and interfaces. The aeromaneuvering orbit-to-orbit shuttle (AMOOS) is evaluated as a candidate reusable third stage to the two-stage earth-to-orbit shuttle (EOS). AMOOS has the potential for increased payload capability over the purely propulsive space tug by trading a savings in consumables for an increase in structural and thermal protection system (TPS) mass.

White, J.↗
NASA NTRS1985

Response of the mesoscale atmosphere to diabatic heating

A study was initiated to determine the influence of convective latent heat release/diabatic heating on the production of kinetic energy during AVE/SESAME I. The primary focus has been on the relative importance of thermally forced modification of the wind field through thickness and height gradient changes versus inertial-advective effects via the diabatic component of vertical motion. Preliminary results have shown that because of the strong vertical shear over the convective region, ageostrophic response is primarily caused by the latter process. The diagnostic parameterization of convective heating has been extended for use in conjunction with satellite precipitation estimates in data-poor oceanic regions. An initial application was made to a mesoscale convective system embedded in the South Pacific convergence zone. Comparison to the heating field diagnosed as a residual in the thermodynamic equation using the ECMWF III-b analyses showed that the methodology will be useful in explaining the observed heating fields and determining the relative contribution of moist processes to the total diabatic heating. Research activities are now concentrated in the following areas: (1) Determining the sensitivity of vertical heating profiles to partitioning of gridscale versus convective precipitation; (2) assessing the possible effects of incorrect analyzed gridscale vertical motions on residuals in the heat budgets computed with the ECMWF III-b data sets.

Robertson, F. R.↗
NASA NTRS1988

Evaluation of innovative rocket engines for single-stage earth-to-orbit vehicles

Computer models of rocket engines and single-stage-to-orbit vehicles that were developed by the authors at DFVLR and NASA have been combined. The resulting code consists of engine mass, performance, trajectory and vehicle sizing models. The engine mass model includes equations for each subsystem and describes their dependences on various propulsion parameters. The engine performance model consists of multidimensional sets of theoretical propulsion properties and a complete thermodynamic analysis of the engine cycle. The vehicle analyses include an optimized trajectory analysis, mass estimation, and vehicle sizing. A vertical-takeoff, horizontal-landing, single-stage, winged, manned, fully reusable vehicle with a payload capability of 13.6 Mg (30,000 lb) to low earth orbit was selected. Hydrogen, methane, propane, and dual-fuel engines were studied with staged-combustion, gas-generator, dual bell, and the dual-expander cycles. Mixture ratio, chamber pressure, nozzle exit pressure liftoff acceleration, and dual fuel propulsive parameters were optimized.

Manski, Detlef↗
NASA NTRS1990

FIFE, First ISLSCP Field Experiment - Results overview

Results of the analyses of the First International Satellite Land-Surface Climatology Project Field Experiment (FIFE) are described which relate to the mass and energy flux of a particular area. The extensive satellite and ground data are used to analyze the energy balance over the FIFE site, monitor the energy-budget components, study atmospheric effects on remote sensing, examine cloud cover, and investigate fluxes in the atmospheric boundary layer. The results verify existing theories relating energy-balance components with surface biology and remote sensing, and satellites can be used to estimate surface-energy budgets. Some analyses provide data that contradict present theories regarding thermodynamic and biophysical methodologies for estimating surface-heat fluxes.

Hall, F. G.↗
NASA NTRS1987

Compound cycle engine for helicopter application

The compound cycle engine (CCE) is a highly turbocharged, power-compounded, ultra-high-power-density, lightweight diesel engine. The turbomachinery is similar to a moderate-pressure-ratio, free-power-turbine gas turbine engine and the diesel core is high speed and a low compression ratio. This engine is considered a potential candidate for future military helicopter applications. Cycle thermodynamic specific fuel consumption (SFC) and engine weight analyses performed to establish general engine operating parameters and configurations are presented. An extensive performance and weight analysis based on a typical 2-hour helicopter (+30 minute reserve) mission determined final conceptual engine design. With this mission, CCE performance was compared to that of a contemporary gas turbine engine. The CCE had a 31 percent lower-fuel consumption and resulted in a 16 percent reduction in engine plus fuel and fuel tank weight. Design SFC of the CCE is 0.33 lb/hp-hr and installed wet weight is 0.43 lb/hp. The major technology development areas required for the CCE are identified and briefly discussed.

Castor, Jere↗
DOE OSTI2024

Contrasting Effects of Urban Land Cover Change and Anthropogenic Heat on Summer Precipitation Over the Yangtze River Delta of China: Analyses From an Atmospheric Moisture Budget Perspective

Both urban land cover (ULC) change and anthropogenic heat (AH) emission are important causes of urban heat island, but their relative contributions to the changes in urban precipitation and the related mechanism remain unclear. Based on numerical simulations utilizing the latest realistic urban fraction and AH data over the Yangtze River Delta urban agglomeration, we found that ULC and AH resulted in nearly opposite effects on precipitation. Various dynamical and thermodynamic processes were involved according to the atmospheric moisture budget analyses. AH increased precipitation particularly during afternoon, and the increases were stronger during heavy precipitation events because of the enhanced moisture convergence effect together with the release of moisture storage previously accumulated in the atmosphere. Differently, ULC reduced mean precipitation mainly due to suppressed evaporation. During weak precipitation events, the suppressed evaporation was largely balanced by the intensified moisture convergence, but during heavy events, ULC caused more pronounced precipitation reduction because the moisture convergence response disappeared and failed to offset the evaporation effect. Here, the relative contributions of different dynamical and thermodynamic processes such as those related to circulation, moisture gradient, and background moisture availability to the temporal variation in the total moisture convergence were further quantified. Overall, our results help better understand the relative roles of different aspects of urbanization on precipitation, and suggest that compared to ULC, reduction in AH emission that is tightly related to the energy consumption structure could be more efficient for mitigating the risk of extreme precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Experimental and Theoretical Thermokinetic Analysis of the Na 3 VO 4 –CO 2 Reaction System under Different Physicochemical Conditions

Sodium vanadate (Na 3 VO 4 ) was synthesized, structural and microstructurally characterized as well as tested as possible carbon dioxide (CO 2 ) captor through thermodynamic calculations in addition to thermogravimetric dynamic and isothermal analyses. Ceramic structural characterization evidenced the formation of the Na 3 VO 4 crystal phase, while microstructural features evidenced dense agglomerates with a poor specific surface area, although synthesis temperature (600 °C) was not as high as that for other sodium ceramics. Na 3 VO 4 was investigated for the CO 2 capture process through dynamic and isothermal experiments, in the presence or absence of oxygen. All these experiments showed that Na 3 VO 4 possesses interesting CO 2 capture properties in a specific temperature range (520 and 600 °C). Isothermal products characterization allowed to elucidate the reaction pathway, implying the Na 4 V 2 O 7 formation, as possible reactive intermediate. In fact, reaction path evolution was supported with theoretical thermodynamic data. Moreover, the kinetic analysis, performed using the Avrami-Erofeev mathematical model and subsequent thermodynamic data obtention, probed the positive influence of the temperature, in both CO 2 superficial and bulk chemical sorption processes, while oxygen addition did not enhance the superficial process. Additionally, as it would be expected, kinetics were enhanced as a function of the CO 2 concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Global-scale, intraseasonal fluctuations of diabatic forcing of the atmosphere

Fields of diabatic heating rate estimates (H) for 5-day periods were calculated from the European Center for Medium Weather Forecasts (ECMWF) analyses since 1985 as the residual of the dry thermodynamic equation. Included in these fields are the horizontal and vertical divergences of heat for both mean and eddy statistics. Previous work dealt with 4-day periods, however, with the emphasis in the Global Precipitation Climatology Project (GPCP) for 5-day period totals the change was made to accommodate the GPCP product. H has long been associated with cold tropical cloud-top temperatures as measured by polar orbiting outgoing longwave radiation (OLR) sensors. Correlations between H and OLR fields on three time scales indicate a moderate amount of agreement. For periods less than 90 days, significant negative correlations are found between H and OLR for (1) tropical and NH midlatitude oceanic areas, and (2) for zonal and hemispheric mean values. Positive correlations are seen in NH mean and continental areas of N. Africa, N. America, N. Asia and Antarctica. These latter results reflect seasonal heating and cooling. Comparisons have been made between H as H as calculated from the ECMWF analyses and output from the CCM1 T42 simulations. The CCM1 tends to have a more cellular structure with more heating (precipitation) over land versus that observed (ECMWF) over oceans.

Christy, John R.↗
DOE OSTI2024

Thermodynamic driving forces in contact electrification between polymeric materials

Abstract Contact electrification, or contact charging, refers to the process of static charge accumulation after rubbing, or even simple touching, of two materials. Despite its relevance in static electricity, various natural phenomena, and numerous technologies, contact charging remains poorly understood. For insulating materials, even the species of charge carrier may be unknown, and the direction of charge-transfer lacks firm molecular-level explanation. Here, we use all-atom molecular dynamics simulations to investigate whether thermodynamics can explain contact charging between insulating polymers. Based on prior work suggesting that water-ions, such as hydronium and hydroxide ions, are potential charge carriers, we predict preferred directions of charge-transfer between polymer surfaces according to the free energy of water-ions within water droplets on such surfaces. Broad agreement between our predictions and experimental triboelectric series indicate that thermodynamically driven ion-transfer likely influences contact charging of polymers. Furthermore, simulation analyses reveal how specific interactions of water and water-ions proximate to the polymer-water interface explain observed trends. This study establishes relevance of thermodynamic driving forces in contact charging of insulators with new evidence informed by molecular-level interactions. These insights have direct implications for future mechanistic studies and applications of contact charging involving polymeric materials.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Relations for the thermodynamic and transport properties in the testing environment of the Langley hypersonic CF4 tunnel

Thermodynamic and transport properties of gaseous CF4 that can be used in flow field computer codes and theoretical analyses for comparison of results with experimental data from the Langley Hypersonic CF4 Tunnel are presented. The thermodynamic relations which are based on thermally perfect but calorifically imperfect gas are adequate for the testing environment of the CF4 tunnel and are simpler to use than the imperfect gas relations required to define the complete expansion from the tunnel reservoir. Relations for the transport properties are based on the kinetic theory of gases in which published experimental data are used in the derivation of the relations. Extensive experimental data were located for viscosity and the derived relation should provide values for viscosity with errors of less than 1 percent. The experimental data for thermal conductivity were limited with significant disagreement between the various sources. The derived relation will probably provide values for the thermal conductivity with errors of no more than 5 percent which is within the accuracy of the experimental data.

Sutton, K.↗
DOE OSTI2024

Alkyl-Substituted Polycaprolactone Poly(urethane-urea)s as Mechanically Competitive and Chemically Recyclable Materials

We report the mechanical performance and chemical recycling advantages of implementing alkyl-substituted poly(ε-caprolactones) (PCLs) as soft segments in thermoplastic poly(urethane-urea) (TPUU) materials. Poly(4-methylcaprolactone) (P4MCL) and poly(4-propylcaprolactone) (P4PrCL) were prepared, reacted with isophorone diisocyanate, and chain-extended with water to form TPUUs. The resulting materials’ tensile properties were similar or superior to a commercially available polyester thermoplastic poly(urethane) and had superior elastic recovery properties compared to a PCL analogue due to the noncrystalline nature of P4MCL and P4PrCL. Additionally, monomers were recovered from the TPUU materials in high yields via ring-closing depolymerization using a reactive distillation approach at an elevated temperature and a reduced pressure (240–260 °C, 25–140 mTorr) with zinc chloride (ZnCl 2 ) as the catalyst. The thermodynamics of polymerization were estimated using Van’t Hoff analyses for 4MCL and 4PrCL; these results indicated that the propyl group in 4PrCL results in a lower practical ceiling temperature (T c ) for P4PrCL.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗