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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Uranyl speciation in sulfate-bearing hydrothermal solutions up to 250 °C

The speciation of uranyl in sulfate-bearing solutions at temperatures up to 250 ºC has been investigated using in situ UV-Visible spectrophotometry. Formation constants for the reactions UO$^{2+}_{2}$ + SO$^{2–}_{4}$ $\Longleftrightarrow$ UO 2 SO$^{0}_{4}$ (logβ 1 = 3.38, 4.40, 5.44, 6.33, 7.74) and UO$^{2+}_{2}$ + 2SO$^{2–}_{4}$ $\Longleftrightarrow$ UO 2 (SO 4 )$^{2–}_{2}$ (logβ 2 = 4.10, 5.26, 6.83, 8.00, 9.70) derived at 25, 100, 150, 200 and 250 ºC respectively. These formation constants were fitted to the modified Ryzhenko – Bryzgalin (MRB) model to derive pK(298), A(zz/a) and B(zz/a) values for both complexes: 3.262, 2.212, -197.96 (UO 2 SO$^{0}_{4}$) and 4.189, 3.21, -473.14 UO 2 (SO 4 )$^{2–}_{2}$ respectively. Compared with values extrapolated using previously available data for 25, 70 and 75 ºC, our new data suggest higher stability of UO 2 SO$^{0}_{4}$ at temperatures above 150 ºC and significantly lower stability of UO 2 (SO 4 )$^{2–}_{2}$ at all temperatures above 25Cº. Molar absorbances of both sulfate species were also derived. At 25 Cº we found our molar absorbance for UO 2 SO$^{0}_{4}$ agreed well with those reported previously in the literature, however we report lower peak amplitudes for UO 2 (SO 4 )$^{2–}_{2}$ . We also noted significant temperature-dependent red shifts in the molar absorbance of UO 2 SO$^{0}_{4}$. We imply that these shifts could be explained by changes in sulfate bonding behaviour around the uranyl O04 ion - namely shifts in the distribution of complexes with sulfate bound in either a monodentate or bidentate configuration. Simple models calculated with our new data suggest that sulfate complexes may readily predominate over chloride complexes even in solutions containing upwards of 20 wt% chloride and only 100 ppm sulfate. In addition, moderate concentrations of sulfate (~1 wt%) can increase the solubility of uranium by an order of magnitude. Therefore, we imply that sulfate could play a vital role in mobilising uranium in hydrothermal systems, and that the removal of sulfate via precipitation of sulfate minerals may act as a means of depositing uranium under oxidizing conditions. This in turn might explain the associations between sulfate minerals and uranium mineralisation occasionally seen in large uranium ore deposits such as Olympic Dam and MacArthur River.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

The solubility of NdPO 4 and DyPO 4 and stability of Nd and Dy chloride and hydroxyl complexes as a function of pH and salinity to 450 °C

The mobility of rare earth elements (REE) in geological systems is often controlled by the stability of monazite and xenotime, which are important hosts for the light and heavy REE. These REE phosphates constitute important resources and provide information on ore formation conditions and timing due to their uses as geothermometers and geochronometers. While the thermodynamic properties for these minerals are well-established up to high temperature and pressure, the properties for the aqueous REE complexes are not well constrained with limited information up to 300 °C. In this study, the solubility of synthetic NdPO 4 and DyPO 4 endmembers were measured in hydrothermal sub- to supercritical NaCl-bearing aqueous solutions from 350 at saturated water vapor pressure to 450 °C at 700 bar. The speciation of Nd and Dy was determined in acidic to alkaline solutions (pH 25 °C values from 2 to 10), and indicates that the hydroxyl species REE(OH) 2 + and REE(OH) 3 0 predominate at low salinity (0.01 mol/kg NaCl) with some contribution of REE chloride species REECl 2+ and REECl 2 + in acidic fluids. The REE phosphate solubility measured in these experiments is up to two orders of magnitude higher than predicted using existing thermodynamic properties from literature for aqueous species extrapolated from lower temperature data to supercritical conditions. To address this discrepancy, the thermodynamic properties of the REE aqueous species were optimized using GEMSFITS to derive the formation constants for the REE chloride (β Cl ) and hydroxyl (β OH ) complexes in the studied temperature range. This study highlights the importance of the hydroxyl species REE(OH) 2 + and REE(OH) 3 0 over a wide range of pH and temperature. As a result, the revised thermodynamic properties for Dy and Nd chloride and hydroxyl species more accurately predict the solubility of NdPO 4 and DyPO 4 and provide insight into the speciation and mobility of the light and heavy REE in hydrothermal supercritical fluids in the crust.

58 GEOSCIENCES↗
DOE OSTI2020

Morphology of Vapor-Deposited Acetonitrile Films

Crystalline acetonitrile has two polymorphs, a high temperature (HT) phase that is stable between 217 K and its melting point at 229 K, and a low temperature (LT) phase that is stable below 217 K. Solid acetonitrile films can be prepared by vapor deposition in an ultra-high vacuum chamber. To prevent sublimation of the film temperatures are often kept below 150 K. While the LT phase is thermodynamically favored at these low temperatures, such preparation usually results in the formation of the metastable HT polymorph. In this work we use reflection adsorption infrared spectroscopy (RAIRS) and temperature programmed desorption (TPD) experiments to investigate the effects of the deposition temperature and underlying substrate on the morphology of acetonitrile films prepared with molecular beam deposition. We obtained the elusive LT phase when dosing at 120 K on a graphene substrate and on a crystalline decane layer. Dosing acetonitrile on other surfaces produced the HT phase, as did annealing of amorphous films. We used TPD experiments to determine the Gibbs energy difference between the HT and LT phases. Our ΔG values agree with extrapolation of equilibrium calorimetry data. Furthermore, we also observed that acetonitrile films were amorphous when dosed at temperatures ≤ 60 K, and porous for temperatures ≤ 50 K.

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

Reply to Comment by Peterie Et Al. on “Accelerated Fill‐Up of the Arbuckle Group Aquifer and Links to U.S. Midcontinent Seismicity”

Abstract Peterie et al. question one observation in our paper: associating pressure increases to injection volumes at distances of up to 25 km from an injection well. In this reply, we show that the comment misunderstands our analysis and the evidence that led to this conclusion. We also show that gauge‐depth‐corrected pressures, used by the authors to produce statewide pressure maps, are discrepant with the static fluid level data, provided in our original compilation and analysis. The discrepancies are a result of the pressure correction method employed, which naïvely substitutes formation pressure for bottomhole pressure to calculate wellbore fluid density. Their linearly interpolated pressure maps, based on sparse data, contain interpolation and extrapolation artifacts that contradict injection trends in the state, the Theis solution, and the superposition principle. We reiterate that pressure and static fluid level increases in Class I wells existed prior to 2013, most notably in central Kansas, where recent earthquakes are cited in the comment as evidence of a pressure plume emanating from the Kansas‐Oklahoma border, 90 km away. We show that the space‐time pattern of seismicity in this area is inconsistent with a northward propagating pressure plume and, instead, seismicity appears to be centered on and near a cluster of high‐rate injection wells, two of which are among the highest rate wells in the state. These observations, along with recent M4 + earthquakes during continued decreases in wastewater injection in southern Kansas and northern Oklahoma, question the usefulness of the comment for understanding and managing societally significant earthquakes.

Ansari, Esmail↗
DOE OSTI2023

Cooking methods and kitchen ventilation availability, usage, perceived performance and potential in Canadian homes

Cooking is a substantial contributor to air pollutant exposures in many residences. Effective use of kitchen ventilation can mitigate exposure; however, information on its availability, usage, and potential to increase its use across the population has been limited. This study aimed to obtain nationally representative information on cooking methods, kitchen ventilation availability and usage, and the potential for education to increase effective usage. An online survey was sent to a representative sample of Canadian homes to collect data on cooking methods, the presence and use of mechanical kitchen ventilation devices, perceived device performance, and willingness to implement mitigation strategies. Responses were weighted to match key demographic factors and analyzed using non-parametric statistics. Among the 4500 respondents, 90% had mechanical ventilation devices over the cooktop (66% of which were vented to the outside), and 30% reported regularly using their devices. Devices were used most often for deep-frying, followed by stir-frying, sautéing or pan-frying, indoor grilling, boiling or steaming. Almost half reported rarely or never using their ventilation devices during baking or oven self-cleaning. Only 10% were fully satisfied with their devices. More frequent use was associated with the device being vented to the outdoors, having more than two speed settings, quiet operation if only one speed, covering over half of the cooktop, and higher perceived effectiveness. After being informed of the benefits of kitchen ventilation, 64% indicated they would consider using their devices more often, preferentially using back burners with ventilation, and/or using higher ventilation device settings when needed. This study provides population-representative data on the most used cooking methods, kitchen ventilation availability and usage, and influencing factors in Canadian homes. Such data are needed for exposure assessments and evaluating the potential to mitigate cooking-related pollutant exposures via more effective use of kitchen ventilation. The data can be reasonably extrapolated to the United States, given the similarities in residential construction practices and cultural norms between the two countries.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

The Sensitivity of Variational Bayesian Neural Network Performance to Hyperparameters

In scientific applications, predictive modeling is often of limited use without accurate uncertainty quantification (UQ) to indicate when a model may be extrapolating or when more data needs to be collected. Bayesian Neural Networks (BNNs) produce predictive uncertainty by propagating uncertainty in neural network (NN) weights and offer the promise of obtaining not only an accurate predictive model but also accurate UQ. However, in practice, obtaining accurate UQ with BNNs is difficult due in part to the approximations used for model training (such as those made in variational inference) and in part to the need to choose a suitable set of hyperparameters; these hyperparameters outnumber those needed for traditional NNs and often have opaque effects on the results. We aim to shed light on the effects of hyperparameter choices for variational BNNs by performing a global sensitivity analysis of variational BNN performance under varying hyperparameter settings. Our results indicate that many of the hyperparameters interact with each other to affect both predictive accuracy and UQ. For improved usage of variational BNNs in real-world applications, we suggest that thorough hyperparameter tuning, including tuning of prior hyperparameters and loss function parameters, is essential for accurate UQ in variational BNNs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Gluon distributions and their applications to Ioffe-time distributions

We investigate unpolarized and polarized gluon distributions and their applications to the Ioffe-time distributions, which are related to lattice QCD calculations of parton distribution functions. Guided by the counting rules based on the perturbative QCD at large momentum fraction x and the color coherence of gluon couplings at small x, we parametrize gluon distributions in the helicity basis. By fitting the unpolarized gluon distribution, the inferred polarized gluon distribution from our parametrization agrees with the one from global analysis. A simultaneous fit to both unpolarized and polarized gluon distributions is also performed to explore the model uncertainty. The agreement with the global analysis supports the (1 - x) power suppression of the helicity-antialigned distribution relative to the helicity-aligned distribution. The corresponding Ioffe-time distributions and their asymptotic expansions are calculated from the gluon distributions. Our results of the Ioffe-time distributions can provide guidance to the extrapolation of lattice QCD data to the region lacking precise gluonic matrix elements. Therefore, they can help regulate the ill-posed inverse problem associated with extracting the gluon distributions from discrete data from first-principle calculations, which are available in a limited range of the nucleon momentum and the spatial separation between the gluonic currents. Given various limitations in obtaining lattice QCD data at large Ioffe time, phenomenological approaches can provide important complementary information to extract the gluon distributions in the entire momentum fraction region, especially at small x. The possibility of investigating higher-twist effects and other systematic uncertainties in the contemporary first-principle calculations of parton distributions from phenomenologically well-determined Ioffe-time distributions in the large Ioffe-time region is also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Metamodeling Time-Temperature Creep Parameters

Abstract There exist many time-temperature parameter (TTP) models for creep rupture prediction of components including the Larson–Miller (LM), Manson–Haferd (MH), Manson–Brown (MB), Orr–Sherby–Dorn (OSD), Manson–Succop (MS), Graham–Walles (GW), Chitty–Duval (CD), Goldhoff–Sherby (GS) models. It remains a challenge to determine which model is “best”, capable of accurate interpolation and physically realistic extrapolation of creep rupture data for a given material. In this study, metamodeling is applied to create a unified TTP metamodel that combines and regresses into twelve TTP models (eight existing and four newly derived). An analysis of the mathematical problems that exist in TTP models is provided. A matlab code is written that can: (1) calibrate the material constants of any of the twelve TTP models (using the metamodel); (2) determine the most suitable stress-parameter function; (3) and report the normalized mean square error (NMSE) of rupture predictions for a given material database. Using the metamodel, and code, a design engineer can make an intelligent selection of the “best” TTP model for creep resistant design. This process is demonstrated using four isotherms of alloy P91 creep rupture data. To assess the influence of material, further validation is performed on alloys Hastelloy X, 304SS, and 316SS. It is determined that the “best” model is dependent on material type and the quality and quantity of available data.

Engineering↗
DOE OSTI2020

Implications of Non-Bingham Rheology

One of the key challenges now facing the US Department of Energy (DOE) is the fate of radioactive waste remaining from World War II and the Cold War which is stored underground in tanks some 75 feet in diameter and over 30 feet tall. Over time, the waste has segmented into multiple layers with sludges and slurries at the bottom with salt crust layers often at the top and liquid in between. DOE’s current official baseline plans call for remaining sludges and slurries to be removed from the tanks and converted into a more stable glass waste form. Minimizing worker exposure to radiation drives DOE to use slurry processing techniques to suspend, mobilize, transport, mix, and process the waste. Therefore, a clear and quantitative understanding of Hanford waste rheology is essential for the success of the DOE mission. Historically much of the waste has been characterized using Eugene Bingham’s model more than a century old that provides a straight line fit to higher shear rate data with the intercept suggesting a yield stress and the slope providing the consistency. Yet, Bingham fits overestimate the shear stress at a given shear rate for low to intermediate shear rates, exactly the range of shear rates typically encountered in pipe flow, where shear rates peak along the pipe wall and vanish in the center. This model produces a fictitious yield stress for some of the wastes that do not exhibit yield phenomena. While over estimating the yield stress may be prudent, safe, and conservative for some applications (e.g., pump sizing to ensure that pumps can handle yield stresses), over estimating the rheology may be inaccurate and non-conservative for other applications (e.g., eroding settled particle beds). Therefore, this paper evaluates the slurry rheology of Hanford and Savannah River wastes using a more modern rheological model that fits the full range of experimental data. Although a bias has been recognized and alternative models proposed, the magnitude of this bias and the implications for tank waste have only been qualitatively suggested. The purpose of this paper is to evaluate quantitatively implications of the poor quality of fit between a Bingham model for rheology and experimental data at modest shear rates. We first demonstrate the magnitude of the bias between the data and the Bingham extrapolation. We then evaluate quantitatively the velocity profile under laminar conditions. This analysis shows that the bias may be large (hundreds of percent or more) at modest shear rates and that modest shear rates dominate pipe velocity profiles.

Rheology, Radioactive waste↗
DOE OSTI2021

Paying it Forward: How an Emerging Unconventional Play can Hit the Ground Running

While every tight oil play is unique, there are lessons that can be transferred from one play to another to improve the efficiency and pace of production operations and development. These improvements may not fit precisely in every basin or play but generally hold to themes that can be tested against and built upon. Themes such as the quantity of proppant, longer lateral length, or the number of stages can be directly tied to increased productivity. However, there are diminishing returns on these investment activities for which each operator, within a given play, will be required to identify and mitigate against. This is especially true as the industry steps in and begins developing new tight oil plays. In their nascent stages, these plays may have limited well penetrations and, as a result, limited geological and performance data from which to extrapolate. Pulling together an understanding of where the industry currently resides in terms of how to exploit these resources can provide a boost in terms of working towards greatly improved well completions. In 2019, the US EIA estimated that nearly 8 million barrels of oil per day were produced from tight oil reservoirs in the United States (US EIA, 2020). This represents over 60% of the domestic crude production, originating from multiple reservoirs in the Permian Basin (TX) as well as the Bakken (MT, ND), Eagle Ford (TX), Niobrara (CO, WY), and Anadarko Basin (OK) formations, among others. As such, there are 1,000s of wells across these numerous tight oil plays that can relate an informative story. To build this story, the interplay of geology, well spacing, lateral length, and stimulation, all critical to economic success, will be explored. This paper proposes to look back at these mature tight oil (and gas) basins and bring forth an understanding of what lessons can be applied to the emerging Powder River Basin tight oil reservoirs (Mowry and the Turner/Frontier). The authors will delve into the four broad topics of geology, well spacing, lateral length, and stimulation, highlighting case studies to demonstrate those lessons from established tight oil plays that will underpin planned activities at a Field Laboratory Test Site in the southern Powder River Basin.

02 PETROLEUM↗
DOE OSTI2023

Biochemical Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels and Products: 2022 State of Technology and Future Research

The annual State of Technology (SOT) assessment is a key activity for biochemical platform research. It allows the impact of research progress (both directly achieved in-house at the National Renewable Energy Laboratory [NREL] and indirectly extrapolated from available public data) to be quantified in terms of economic improvements in the overall cellulosic biofuel production process for a particular conversion pathway. As such, initial benchmarks can be established for currently demonstrated performance and progress can be tracked toward out-year goals to ultimately demonstrate cost-competitive biofuel technology. Building upon efforts to progress NREL's biochemical platform R&D work toward ultimate 2030 goals to demonstrate less than $2.50/gallon gasoline equivalent (GGE) fuel selling prices, experimental and techno-economic analysis (TEA) activities have primarily focused on "advanced" biochemical processing strategies to fuels and coproducts, guided by TEA modeling to highlight key barriers and priorities toward achieving this goal across a number of potential bioconversion pathways. The purpose of the present effort is to benchmark the latest experimental developments for these pathways as quantified by modeled minimum fuel selling prices (MFSPs), as a measure of current status relative to those final targets. For this SOT, TEA models were run for two separate biological conversion pathways to fuels, based on available data for integrated biomass deconstruction and hydrolysate processing; namely carboxylic acids (primarily butyric acid) and diols (2,3-butanediol [BDO]), reflecting NREL's recently published 2018 biochemical design report focused on those two pathways. The models were run across two scenarios for lignin utilization, namely combustion and conversion to value-added coproducts.

09 BIOMASS FUELS↗
DOE OSTI2023

Carbon Fiber Reinforced Plastic with Substantially Improved Through-plane Thermal Conductivity

Thermal conductivity of carbon fiber support structures that also serve as cooling substrates is of increasing importance for high energy physics detectors. One of the shortcomings of current carbon fiber laminates is that they exhibit excellent thermal conductivity of order several hundred W/(m*K) along the fiber direction, whereas the through plane thermal conductivity perpendicular to the fibers is orders of magnitude lower, and at about 1 W/(m*K) more in the range of thermal insulators. This proposal aims to significantly improve the through plane thermal conductivity, by at least a factor five, changing CFRP from being a thermal insulator to a thermal conductor in the through plane direction. Between June 2021 and December 2022, a total of 36 carbon fiber laminate test samples and two carbon loaded epoxy test samples were manufactured and analyzed for thermal performance. Unfortunately, the promising results obtained with a similar sample manufactured in 2017 were not reproduced. We believe this to be mainly due the excessive age of the carbon fiber prepreg material used for this SBIR - the same material batch, produced in 2015, was used in 2017 and in 2021/2022, i.e. the material was seven years old when the final samples were produced - , and to a lesser degree to the difference in pressure attainable with the 2017 and 2021/2022 laminate curing setups. While disappointing, the results are not completely discouraging, since for the samples with the highest compression the through-plane thermal conductivities plotted as a function of per-ply thickness extrapolate well to the data point from the 2017 sample.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Ion Exchange Processing of AN-107 Hanford Tank Waste through Crystalline Silicotitanate in a Staged 2- then 3-Column System

The Hanford Site stores an estimated 56 million gallons of mixed radioactive and chemically hazardous waste in large underground tanks. In support of the Direct Feed Low-Activity Waste (DFLAW) Program for expediting Hanford tank waste supernate treatment, laboratory-scale ion exchange processing using prototypic unit operations was conducted on AN-107 tank waste at the Pacific Northwest National Laboratory Radiochemical Processing Laboratory. This report describes the small-scale ion exchange testing with 13.7 L of diluted and filtered supernate from Tank 241-AN-107 (hereafter referred to as AN-107) at 16 °C (62 °F). One of the waste acceptance criteria (WAC) for the Waste Treatment Plant (WTP) Low-Activity Waste Facility is that the waste must contain less than 3.18×10 -5 Ci 137 Cs per mole of Na. For the AN-107 tank waste to meet this criterion, only 0.147% of the influent 137 Cs concentration may be delivered to the WTP; this requires a Cs decontamination factor of 678. Testing with AN-107 matched current Tank Side Cesium Removal (TSCR) facility prototypic operations where a lead-lag configuration was used until the lag column reached the WAC limit, then a polish column was brought online for continued processing in a lead-lag-polish column configuration. Feed was processed at 1.9 bed volumes (BVs) per hour; the flowrate, in terms of contact time with the crystalline silicotitanate (CST) bed, matched the expected flowrate at TSCR. The Cs-decontaminated product was retained for vitrification testing (to be reported separately). The lead column reached 40% Cs breakthrough after processing ~1700 BVs of feed; the 50% Cs breakthrough was extrapolated from the breakthrough data to occur at 1873 BVs. Testing compared to previous AP-101 and AP-107 testing at 16 °C showed ~300 BV increases in volume processed to reach the WAC limit for both lead and lag columns. The increase in capacity was determined to be due to the significantly lower K concentration in the AN-107 compared to the other tank waste matrices. A comparison in breakthrough curves for the three tests indicated slightly slower kinetic behavior in the AN-107, with variations in feed matrices (high organic complexants) likely responsible for the deviation. The Cs effluent from the lag column reached the WAC limit after processing 1097 BVs. Anticipating this breakthrough point, the polish column was preemptively installed around 900 BVs. Cs breakthrough from the lag column began at 500 BVs, reaching 3.06×10 0 µCi/mL, or 2.6 % Cs breakthrough, after processing all 1700 BVs of feed. Table S.1 and Figure S.1 summarize the observed column performance and relevant Cs loading characteristics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1967

A theoretical model for determining turbine flowmeter sensitivity

Analytical model of turbine-type flowmeter guides in the selection of valid extrapolation of available calibration data. An expression for flowmeter performance is developed to include the effects of fluid friction, bearing drag, and magnetic drag upon helical rotor design.

Smith, R. L.↗
NASA NTRS1971

Soot oxidation rates in gas turbine engines

A basis is proposed for extrapolating soot oxidation rate measurements obtained in laboratory flames to the more extreme operating conditions of gas turbine combustion chambers. The proposal is based on the observation that, within probable experimental uncertainty, the limited soot oxidation measurements correlate with the more extensive measurements of the surface oxidation rates of macroscopic samples of pyrographite. The soot oxidation rates thus determined for the conditions of a typical gas turbine combustion chamber are considerably lower than estimates which were based on simple extrapolations of the flame data.

Radcliffe, S. W.↗
NASA NTRS1972

Electron showers of high primary energy in lead.

The development of electron cascade showers in a lead-scintillator sandwich of 8 plastic scintillators in about 20 radiation lengths of lead has been investigated. This detector, which was used for cosmic-ray studies, has been calibrated with electrons with energies from 2 to 15 GeV at SLAC. Measured shower profiles are presented, and expressions are given which allow an extrapolation of the measured data up to energies around 1000 GeV. The results are compared with analytical shower theories and Monte Carlo calculations.

Mueller, D.↗
NASA NTRS1973

Approximate thermochemical tables for some C-H and C-H-O species

Approximate thermochemical tables are presented for some C-H and C-H-O species and for some ionized species, supplementing the JANAF Thermochemical Tables for application to finite-chemical-kinetics calculations. The approximate tables were prepared by interpolation and extrapolation of limited available data, especially by interpolations over chemical families of species. Original estimations have been smoothed by use of a modification for the CDC-6600 computer of the Lewis Research Center PACl Program which was originally prepared for the IBM-7094 computer Summary graphs for various families show reasonably consistent curvefit values, anchored by properties of existing species in the JANAF tables.

Bahn, G. S.↗