Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Equilibrium calculations”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5

Bubble Mass Transport Measurement in the Large-Scale Test Loops at Oak Ridge National Laboratory

Molten salts are complex fluids that incorporate multi-phase behavior depending on the chemistry and the physical properties of the entrained components. These components include the carrier salt, the actinide fuel, and fission, activation, and corrosion products, the concentrations of which depends on the burnup history of the salt. Radionuclide transport from the salt into the cover gas / off-gas system depends on volatility as predicted by thermochemistry, but data from the Molten Salt Reactor Experiment (MSRE) conducted in the late 1960s suggest that bubble formation and transport are also important. Anomalously high fractions of noble metals were found in the off-gas system and were attributed to transportation with parent salt aerosols and their association with rising noble gas bubbles. The prediction of such phenomena requires coupled neutronic, thermal hydraulic, and chemical equilibrium calculations, the framework of which is being developed within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program supported by the US Department of Energy (DOE) Office of Nuclear Energy (NE). However, separate effects tests and models of experiments using tools such as SAM and Thermochimica can guide model developers through important processes. Conversely, model development guides the choice of experiments and systems to provide data that are relevant for validation. This report describes several experiments that tracked gas transport in molten salts, ranging from small-scale systems to large-scale loops. Gas transportation in a molten salt, LiCl-KCl, has been studied using the shadowgraph technique. Sensors such as residual gas analysis, Raman spectroscopy, and laser-induced breakdown spectroscopy have been tested for off-gas measurements. These data were used to interpret how the gases move through the upstream salt / cover gas and the interface between them. Differential pressure measurements were able to detect individual gas bubbles as they popped at the liquid–gas interface. Salt aerosols were collected on a cascade impactor. Their formation was also observed directly via the shadowgraph method, and most of these aerosols were launched ballistically into the cover gas. Fine mists could also be observed. Convection currents through the salt were visualized and can be used to calculate the thermophysical properties of the salt itself. The apparatuses described in this report and in a previous work (McFarlane et al. 2023) have been commissioned and are available for use in making further measurements of salt/surrogate fission product behavior. Novel approaches using neutron imaging are planned for the study of fluoride salts, which cannot be contained in quartz, so shadowgraph visualization is not available. Bubble transport in convective flow and in a slow-moving salt column are planned. The mobile laser-induced breakdown spectroscopy (LIBS) system is available for several applications, including iodine capture in a molten hydroxide scrubber, H2 transport though molten salts to complement Raman analysis, and online tracking of salt aerosol generation, transport, and deposition. This report summarizes the findings from FY24 and the plans for FY25. The work completes milestone M2AT-24OR0702013 of the DOE-NE Advanced Reactor Technology, Molten Salt Reactor Campaign, DOE-NE-5.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Emissions Characterization for Ammonia Fuel Blends in an Enclosed Swirl-Stabilized Diffusion Burner

This study investigates ammonia flames using the enclosed Sydney swirl burner (ESSB), focusing on detailed global emissions measurements. Emissions were measured via Fourier-transform-infrared (FTIR) spectrometer, utilizing a heated, long-path absorption cell. Hot, wet measurements of pertinent species were collected, and concentrations were determined via lineshape fitting in conjunction with the HITRAN database. Results show that partially cracked ammonia compositions yield lower emissions compared to pure NH3/H2, and small amounts of NH3 addition to CH4-containing fuel blends exhibit high levels of NOx and CO, with measurable HCN and unburnt CH4. Equilibrium calculations suggest trade-offs between chemical timescale, heat loss, and mixing. Future work will explore emissions sampling procedures and expand analysis using chemical reactor network modelling.

ammonia combustion↗

An assessment of ocean alkalinity enhancement using aqueous hydroxides: kinetics, efficiency, and precipitation thresholds

Abstract. Ocean alkalinity enhancement (OAE) is a promising approach to marine carbon dioxide removal (mCDR) that leverages the large surface area and carbon storage capacity of the oceans to sequester atmospheric CO2 as dissolved bicarbonate (HCO3-). One OAE method involves the conversion of salt in seawater into aqueous alkalinity (NaOH), which is returned to the ocean. The resulting increase in seawater pH and alkalinity causes a shift in dissolved inorganic carbon (DIC) speciation toward carbonate and a decrease in the surface ocean pCO2. The shift in the pCO2 results in enhanced uptake of atmospheric CO2 by the seawater due to gas exchange. In this study, we systematically test the efficiency of CO2 uptake in seawater treated with NaOH at aquarium (15 L) and tank (6000 L) scales to establish operational boundaries for safety and efficiency in advance of scaling up to field experiments. CO2 equilibration occurred on the order of weeks to months, depending on circulation, air forcing, and air bubbling conditions within the test tanks. An increase of ∼0.7–0.9 mol DIC per mol added alkalinity (in the form of NaOH) was observed through analysis of seawater bottle samples and pH sensor data, consistent with the value expected given the values of the carbonate system equilibrium calculations for the range of salinities and temperatures tested. Mineral precipitation occurred when the bulk seawater pH exceeded 10.0 and Ωaragonite exceeded 30.0. This precipitation was dominated by Mg(OH)2 over hours to 1 d before shifting to CaCO3,aragonite precipitation. These data, combined with models of the dilution and advection of alkaline plumes, will allow the estimation of the amount of carbon dioxide removal expected from OAE pilot studies. Future experiments should better approximate field conditions including sediment interactions, biological activity, ocean circulation, air–sea gas exchange rates, and mixing zone dynamics.

Ringham, Mallory C. (ORCID:0000000348020185)↗

Opacity of tungsten-seeded hydrogen to 2500 K and 115 atmospheres.

Experimental investigation and measurement of the radiant heat attenuation of an aerosol which may serve as a gas core nuclear-rocket propellant. The experiment uses a tungsten-hydrogen aerosol heated to temperatures as high as 2500 K under pressures up to 115 atmospheres. The hydrogen aerosol is produced by dispersion of submicron-sized particles of tungsten in hydrogen gas. A narrow beam of broad spectrum (visible and ultraviolet) light is passed through it with the attenuation being measured as a function of wavelength. Other aerosol characteristics examined include the nature and extent of chemical reactions between the seed material and the hydrogen and the degree of dispersion of the seed material obtained before and after heating. Chemical equilibrium calculations and vapor pressure data for the refractory metals indicate that tungsten is a prime candidate for the seed material in the gas core nuclear rocket.

Williams, J. R.↗

Analysis of OSO data to determine the structure and energy balance of the solar chromosphere

A detailed reexamination of the temperature-density structure of the photosphere and low chromosphere shows that the middle and upper chromosphere, which directly emits most of the OSO spectrum, is sensitive to conditions in this underlying region of the atmosphere. A model of this region is based on a unified compilation of all recently published broadband flux and central intensity observations of the solar spectrum from 500 microns in the far infrared to 1220 A in the far ultraviolet. This extensive compilation includes the OSO 4 and 6 observations in the wavelength range 1400 to 1220 A. A model is presented of the quiet solar atmosphere in the height range between the temperature minimum and the upper part of the chromosphere-corona transition region. This model is based on statistical equilibrium calculations of H, He 1, He 2, Si 1, C 1, and other ions.

Avrett, E. H.↗

Sodium sulfate - Vaporization thermodynamics and role in corrosive flames

Mass spectrometer experiments were conducted to determine the thermodynamic properties of gaseous Na2SO4, and these data were used in a computer program to calculate equilibrium flame compositions and temperatures for representative turbine engine and burner rig flames. The work is important in that sodium sulfate is the major phase recovered from turbine surfaces after instances of corrosion, due to the presence of sulfur in fuels and sodium chloride in intake air.

Kohl, F. J.↗

The analysis of XUV emission lines

A technique for analyzing measurements of XUV spectral-line intensities is described. Application of the technique to OSO-4 and OSO-6 spectra indicates that the mean coronal temperature is 2.1 million K in typical active solar regions and that the mean coronal temperature in typical quiet regions ranges from 1.5 to 2.1 million K. One active-region spectrum shows evidence for substantial quantities of coronal material with temperatures between 2 and 3.5 million K. Measurements from limb spectra show evidence that (1) coronal abundances of N and O are low relative to heavier elements; or (2) that the ionization-equilibrium calculations used may contain systematic errors; or (3) that the XUV intensity measurements may be incorrectly calibrated.

Withbroe, G. L.↗

On the calculation of cosmic-ray exposure ages of stone meteorites

Abundances of cosmic ray-produced noble gases and Al-26, including some new measurements, have been compiled for some 23 stone meteorites with exposure ages less than 3,000,000 yr. Concentrations of cosmogenic He, Ne, and Ar in these meteorites have been corrected for differences in target element abundances by normalization to L-chondrite chemistry. Combined noble gas measurements in depth samples of the Keyes and St. Severin chondrites are utilized to derive equations for normalizing the production rates of cosmogenic He-3, Ne-21, and Ar-38 in chondrites to an adopted 'average' shielding. The measured unsaturated AL-26 concentrations and the calculated equilibrium Al-26 for these meteorites are combined to estimate exposure ages. These exposure ages are statistically compared with chemistry- and shielding-corrected concentrations of cosmogenic He, Ne, and Ar to derive absolute production rates for these nuclides, which are found to be roughly 25% higher than production rates used in the past. From these production rates and relative chemical correction factors, production rates for other classes of stone meteorites are derived.

Cressy, P. J., Jr.↗

Gaseous sodium sulfate formation in flames and flowing gas environments

Formation of Na2SO4(g) in flames and hot flowing gas systems was studied by high pressure, free-jet expansion, modulated molecular beam mass spectrometric sampling. Fuel-lean CH4-O2 flames doped with SO2, H2O and NaCl yielded the gaseous Na2SO4 molecule in residence times of less than one millisecond. Intermediate species NaSO2(g) and NaSO3(g) were also observed and measured. Composition profiles were obtained for all reaction products. Nonflame flowing gas experiments showed that Na2SO4 and NaSO3 gaseous molecules were formed at 1140 C in mixtures of O2, H2O(g), SO2 and NaCl(g). Experimental results are compared with calculated equilibrium thermodynamic predictions.

Stearns, C. A.↗

A search for a turbulent-free region in the solar transition zone

A search for a turbulence-free transition-zone region was conducted. The data used were spectra recorded by a slit spectrograph on Skylab. It was found that the nonthermal turbulent motions are smallest in certain active regions and quiescent prominences. The spectra of one such region, a quiescent prominence, are discussed. The nonthermal turbulence in the region is between about 2 and 7 km/s. Therefore, the widths of lines emitted by transition-zone ions are determined primarily by the ion temperature. To within the experimental error, temperatures derived from the line widths are equal to the temperatures of maximum emitting efficiency obtained using the ionization equilibrium calculations of Jordan (1969).

Feldman, U.↗