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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

An Impact Triggered Runaway Greenhouse on Mars

When a planet is in radiative equilibrium, the incoming solar flux balances the outgoing longwave flux. If something were to perturb the system slightly, say the incoming solar flux increased, the planet would respond by radiating at a higher surface temperature. Since any radiation that comes in must go out, if the incoming is increased, the outgoing must also increase, and this increase manifests itself as a warmer equilibrium temperature. The increase in solar flux would correspond to an increase in temperature, which would increase the amount of water vapor in the atmosphere due to increased evaporation. Since water vapor is a greenhouse gas, it would absorb more radiation in the atmosphere leading to a yet warmer equilibrium temperature. The planet would reach radiative equilibrium at this new temperature. There exists a point, however, past which this positive feedback leads to a "runaway" situation. In this case, the planet does not simply evaporate a little more water and eventually come to a slightly higher equilibrium temperature. Instead, the planet keeps evaporating more and more water until all of the planet's available liquid and solid water is in the atmosphere. The reason for this is generally understood. If the planet's temperature increases, evaporation of water increases, and the absorption of radiation increases. This increases the temperature and the feedback continues until all water is in the atmosphere. The resulting equilibrium temperature is very high, much higher than the equilibrium temperature of a point with slightly lower solar flux. One can picture that as solar flux increases, planetary temperature also increases until the runaway point where temperature suddenly "jumps" to a higher value, in response to all the available water now residing in the atmosphere. This new equilibrium is called a "runaway greenhouse" and it has been theorized that this is what happened to the planet Venus, where the surface temperature is more than 700 K (427 C).

Segura, T. L.↗
NASA NTRS1972

Computer programs for thermodynamic and transport properties of hydrogen (tabcode-II)

The thermodynamic and transport properties of para and equilibrium hydrogen have been programmed into a series of computer routines. Input variables are the pair's pressure-temperature and pressure-enthalpy. The programs cover the range from 1 to 5000 psia with temperatures from the triple point to 6000 R or enthalpies from minus 130 BTU/lb to 25,000 BTU/lb. Output variables are enthalpy or temperature, density, entropy, thermal conductivity, viscosity, at constant volume, the heat capacity ratio, and a heat transfer parameter. Property values on the liquid and vapor boundaries are conveniently obtained through two small routines. The programs achieve high speed by using linear interpolation in a grid of precomputed points which define the surface of the property returned.

Roder, H. M.↗
NASA NTRS1999

A Multiphase Equation of State for Hydrazine and Monomethylhydrazine

The objective of this work was to obtain a validated equation of state for hydrazine and monomethylhydrazine (MMH) and use this equation to calculate thermodynamic properties. The approach was based on using both reliable critical property values and a value of the acentric factor in the Soave Redlich Kwong and the Peng Robinson model equations of state. These equations were validated by comparing calculated molar volumes for phase equilibrium with published experimental values and comparing calculated vapor pressures with published experimental values over the temperature range appropriate for the corresponding state equations. The equation of state giving the best results was used to calculate enthalpy and entropy departure functions and fugacity values. Additional thermodynamic property calculations were performed to produce partial Mollier diagrams and thermodynamic properties containing internal energy, enthalpy, and entropy values for hydrazine and MMH. The analyses of systems in which either adiabatic or near-adiabatic compression of liquid or vapor hydrazine or low velocity detonations occur require a validated equation of state for representing occurring molar volumes and for energy calculations. Other calculations for thermodynamic properties of hydrazine are available, but the values are for a strict ideal gas state. This work characterized destructive events using hydrazine by calculating for isentropic compression temperatures. The final temperatures were calculated and compared using the ideal and real gas fluid equations of state.

Barragan, Michelle↗
NASA NTRS1979

The solubility of carbon monoxide in silicate melts at high pressures and its effect on silicate phase relations

Autoradiographic analysis and gas chromatography were used to measure the solubility in silicate melts of CO-CO2 vapors (30 to 40% CO by thermodynamic calculation) in equilibrium with graphite at temperatures up to 1700 deg C and pressures to 30 kbar. At near-liquidus temperatures CO-CO2 vapors were found to be slightly more soluble than CO2 alone. As a result of the apparently negative temperature dependence of CO solubility, the solubility of CO-CO2 at superliquidus temperatures is less than that of CO2. Melting points of two silicates were depressed more by CO than by CO2. Phase boundary orientations suggest that CO/CO + CO2 is greater in the liquid than in the vapor. The effect of the presence of CO on periodotite phase relations was investigated, and it was found that melts containing both CO and CO2 are nearly as polymerized as those containing only CO2. These results suggest that crystallization processes in planetary interiors can be expected to be about the same, whether the melts contain CO2 alone or CO2 and CO.

Eggler, D. H.↗
DOE OSTI2022

A Semi-Empirical Correlation for the Onset of Density Wave Oscillations in a Helical Coil Steam Generator

NuScale Power has completed full length helical coil steam generator (HCSG) tests at SIET Laboratories in Piacenza, Italy. The test program included an investigation of the onset and evolution of density wave oscillations (DWO). This paper describes the mechanisms leading to the onset of DWO as inferred from tests performed in the full-height TF-2 counter-flow test facility. This research supports the concept that the onset of DWO is caused by liquid bridging inside the boiling length of the tubes. Using a separate cylinders approximation, a DWO onset correlation is obtained by performing a steady-state momentum balance on the density front created by liquid bridging. This yields a momentum balance equation in terms of a set of dimensionless superficial velocities, a corresponding dimensionless pressure drop term and an average void fraction. Envelope theory is then used to obtain a critical void fraction which is substituted into the dimensionless momentum balance to obtain a DWO onset correlation similar to the Wallis counter-current flooding correlation. A comparison of the DWO onset correlation to the TF-2 DWO experimental data is presented and shows excellent agreement when the average equilibrium vapor quality is greater than 0.2.

Density Wave Oscillations, Helical Coil Steam Gene↗
NASA NTRS1994

Thermocapillary flow with evaporation and condensation and its effect on liquid retention in low-G fluid acquisition devices

The steady motion, thermal and free surface behavior of a volatile, wetting liquid in microgravity are studied using scaling and numerical techniques. The objective is to determine whether the thermocapillary and two-phase convection arising from thermodynamic nonequilibrium along the porous surfaces of spacecraft liquid acquisition devices could cause the retention failures observed with liquid hydrogen and heated vapor pressurant. Why these devices seem immune to retention loss when pressurized with heated helium or heated directly through the porous structure was also examined. Results show that highly wetting fluids exhibit large negative and positive dynamic pressure gradients towards the meniscus interline when superheated and subcooled, respectively. With superheating, the pressure variation and recoil force arising from liquid/vapor phase change exert the same influence on surface morphology and promote retention. With subcooling, however, the pressure distribution produces a suction that degrades mechanical equilibrium of the surface. This result indicates that thermocapillary-induced deformation arising from subcooling and condensation is the likely cause for retention loss. In addition, increasing the level of nonequilibrium by reducing accommodation coefficient suppresses deformation and explains why this failure mode does not occur in instances of direct screen heating or pressurization with a heated inert gas.

Schmidt, George R.↗
DOE OSTI2020

Tracking Radioactive Isotopes in HVAC and Application for Hot Cell Analyses - 20155

In recent years, the surge in the number of isotope production facilities under design has increased the need to analyze isotope migration in facility Heating, Ventilation, and Air Conditioning (HVAC) during normal operations and accident scenarios. These facilities are used to produce isotopes for medical, security, and industrial applications and as such are subject to license and regulatory requirements 10CFR20, 10CFR30, 10CFR50, and 10CFR70. GOTHIC, a general-purpose thermal-hydraulics software package, includes the ability to model isotopic tracers, radioactive decay and isotope migration as well as HEPA and charcoal filters for isotope retention. A GOTHIC model was developed by Zachry Nuclear Engineering (ZNE) to examine the effect of negative room pressure, HEPA filtration, and HVAC fluctuations on radiation areas, hot cells and gloveboxes. Radioactive tracers were used to simulate the concentration of spills within contaminated areas, track the migration of isotopes of interest, and determine the isotopic retention and buildup on facility HEPA filters. A variety of isotopes with concern to dose (e.g., Kr-85, Sr-90, I-131, etc.), including their decay and progeny, are included in the analysis. Negative pressures are maintained in the regions of interest by a representative central HVAC system equipped with a volumetric fan that exhausts to the environment after a series of isolation valves and HEPA filters. GOTHIC is an industry trusted tool for providing engineering solutions for a variety of applications, including fission product tracking, aerosol and particulate transport and ventilation assessments. The software provides an integrated analysis environment that includes a graphical user interface (GUI) for constructing analysis models, a numerical solver that includes parallel processing capabilities and a post-processor for evaluating simulation results. It solves the conservation equations for mass, momentum and energy for multicomponent, multi-phase flow in lumped parameter and multi-dimensional geometries (1, 2, or full 3D), including the effects of turbulence, diffusion and buoyancy. It has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B and applicable portions of ASME NQA-1 since 1995. GOTHIC has been used for assessing both forced and natural convection conditions for a wide range of applications, including: - Tracking concentration of hazardous gases and chemicals for habitability and safety assessments - Determining ventilation and filtration requirements and optimizing location and arrangement of these systems - Room heat-up, including diverse and Flexible coping strategies for Extended Loss of AC Power (FLEX/ELAP) - Equipment Qualification (EQ) A distinctive feature of GOTHIC is the ability to track many different fields/substances in a simulation, including user defined tracer elements, in the liquid, vapor and droplet fields as well as surfaces and filters. This capability allows GOTHIC to model fission product transport and release or the removal of particulates or harmful toxins from exhaust gases using a spray scrubber or other types of filtration systems. GOTHIC also includes models for engineered equipment, such as fans, filters, charcoal filters, dryers/demisters, dampers, etc. The aerosols and other filtered material are removed or accumulated in these components. The range of aerosol and radiological applications that GOTHIC has been used for includes: - Source Term: Primary Coolant (Equilibrium) Activity; Non-Water Coolant Source/Leakage. - Conditions for Iodine Re-evolution: Sump/Suppression Pool Conditions and pH; - RWST Conditions and pH. - Isotope Removal Mechanisms: Containment Sprayed and Unsprayed Region Mixing; Charcoal Filter Heating due to Iodine decay. - Radionuclide Transport and Decay: Post-LOCA Release in containment; Transport between connected Compartments and vent systems; Groundwater transport of radionuclides. - Non-Newtonian Fluid modeling for sludge, waste tanks, etc. ADAMS ML071581053 (titled 'Best Practice Guidelines for the use of CFD in Nuclear Reactor Safety Applications') poses guidelines for applying single phase CFD codes in nuclear reactor safety problems and GOTHIC is listed as a 'tool for 3D flows' and 'dispersal and deposition of radionuclides.' The Nuclear Quality Assurance (NQA) pedigree of GOTHIC is an important aspect for applications in the nuclear industry. The fundamental tracer models (convective transport, molecular and turbulent diffusion, removal mechanisms, etc.) have been verified using analytical solutions and validated against applicable separate effects tests. Also, GOTHIC has been benchmarked to many integrated effects tests, including Phebus FP (Fission Product). GOTHIC gives good agreement for the buildup and decay of fission products in Phebus Test 3. The model developed by ZNE demonstrates GOTHIC's applicability and acceptability for use in analyzing the migration and retention of radioactive isotopes and their progeny in normal operation and accident scenario analyses for isotope production facilities, hot cells, and gloveboxes. The tracer activities calculated by GOTHIC can then be used in downstream radiation transport and shielding codes like RADTRAD-NAI{sup C}, MCNP{sup R}, and MicroShield{sup R} to determine on-site and of-site doses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1995

Ca-Rich Carbonate Melts: A Regular-Solution Model, with Applications to Carbonatite Magma + Vapor Equilibria and Carbonate Lavas on Venus

A thermochemical model of the activities of species in carbonate-rich melts would be useful in quantifying chemical equilibria between carbonatite magmas and vapors and in extrapolating liquidus equilibria to unexplored PTX. A regular-solution model of Ca-rich carbonate melts is developed here, using the fact that they are ionic liquids, and can be treated (to a first approximation) as interpenetrating regular solutions of cations and of anions. Thermochemical data on systems of alkali metal cations with carbonate and other anions are drawn from the literature; data on systems with alkaline earth (and other) cations and carbonate (and other) anions are derived here from liquidus phase equilibria. The model is validated in that all available data (at 1 kbar) are consistent with single values for the melting temperature and heat of fusion for calcite, and all liquidi are consistent with the liquids acting as regular solutions. At 1 kbar, the metastable congruent melting temperature of calcite (CaCO3) is inferred to be 1596 K, with (Delta)bar-H(sub fus)(calcite) = 31.5 +/- 1 kJ/mol. Regular solution interaction parameters (W) for Ca(2+) and alkali metal cations are in the range -3 to -12 kJ/sq mol; W for Ca(2+)-Ba(2+) is approximately -11 kJ/sq mol; W for Ca(2+)-Mg(2+) is approximately -40 kJ/sq mol, and W for Ca(2+)-La(3+) is approximately +85 kJ/sq mol. Solutions of carbonate and most anions (including OH(-), F(-), and SO4(2-)) are nearly ideal, with W between 0(ideal) and -2.5 kJ/sq mol. The interaction of carbonate and phosphate ions is strongly nonideal, which is consistent with the suggestion of carbonate-phosphate liquid immiscibility. Interaction of carbonate and sulfide ions is also nonideal and suggestive of carbonate-sulfide liquid immiscibility. Solution of H2O, for all but the most H2O-rich compositions, can be modeled as a disproportionation to hydronium (H3O(+)) and hydroxyl (OH(-)) ions with W for Ca(2+)-H3O(+) (approximately) equals 33 kJ/sq mol. The regular-solution model of carbonate melts can be applied to problems of carbonatite magma + vapor equilibria and of extrapolating liquidus equilibria to unstudied systems. Calculations on one carbonatite (the Husereau dike, Oka complex, Quebec, Canada) show that the anion solution of its magma contained an OH mole fraction of (approximately) 0.07, although the vapor in equilibrium with the magma had P(H2O) = 8.5 x P(CO2). F in carbonatite systems is calculated to be strongly partitioned into the magma (as F(-)) relative to coexisting vapor. In the Husereau carbonatite magma, the anion solution contained an F(-) mole fraction of (approximately) 6 x 10(exp -5).

Treiman, Allan H.↗
NASA NTRS2012

Mass Spectrometric Studies of Oxides

Current studies at NASA Glenn on oxide thermodynamics are discussed. Previous studies on the vaporization of B2O3 in reducing atmospheres led to inconsistent studies when B was used as a reductant. It is shown that liquid B2O3 does not wet B and a clear phase separation was noted in the Knudsen cell. This problem was solved by using FeB and Fe2B to supply a different and constant activity of B. The thermodynamic data thus derived are compared to quantum chemical composite calculations. A major problem in high temperature mass spectrometry is the determination of accurate ionization cross sections, particularly for molecules. The method of Deutsch and Mark shows promise and some sample calculations are discussed. Finally current studies on the thermodynamics of rare earth silicates are discussed. Here the problems are obtaining a measurable signal from SiO2 vaporization and non-equilibrium vaporization. The use of a Ta reducing agent provides a stronger signal, which is related to silica activity. The Whitman-Motzfeld relation adapted to KEMS measurements is applied to obtain equilibrium pressures.

Jacobson, Nathan S.↗
NASA NTRSDate not supplied

Single and Multi-Node Modeling of Direct, Submerged, and Self-Pressurization of A Cryogenic Propellant Tank Using Nodal Tools

The pressurization of cryogenic propellant tanks will always be an important process so long as cryogenic liquids are being considered as fuel sources or used for other in-space applications. Pressure control of the tank ullage is necessary for managing propellant flowrates to an engine or a receiver tank, and modeling of the process is used to predict the pressurant requirements and the amount of propellant boiloff. Direct ullage pressurization is the more traditional approach to tank pressurization, as the physics are straight-forward, and ample test (flight) data have been collected and analyzed over the past several decades. Submerged injection pressurization is an alternate method for tank pressurization and has been shown to reduce pressurant requirements, subcool the propellant, and reduce the risk of ullage collapse. Additionally, the pressurant gas entering the ullage is usually much colder when using the submerged pressurization approach, resulting in reduced propellant boiloff. These benefits are at the expense of vaporizing a small percentage of the propellent. Both tank pressurization methods are viable options for current and future space missions, and it is important to have the capability of analyzing the tank ullage conditions for both approaches. Our previous work has demonstrated the development of a Generalized Fluid System Simulation Program (GFSSP) model, which contains a thermodynamic equilibrium heat and mass transfer subroutine capable of effectively analyzing both direct and submerged pressurization systems [1-2]. This subroutine has most recently been enhanced to include the non-equilibrium effect of pressurant dissolution into the propellant. To date the ullage has always been represented as a single node, and although the simulated single-node temperatures have good comparison with the volume-averaged ullage temperatures computed from test data, the physics of the thermal stratification in the ullage were never captured, and adjustment factors in the model were required. The purpose of this paper is to introduce the development of a multi-node ullage model using GFSSP and to discuss the improvements of the simulated ullage temperature distribution and its resulting effects on ullage heat transfer processes. Test data from the Cryogenic Propellant Storage and Transfer Engineering Developmental Unit (CPST EDU) was used for model validation. For additional comparison, a Thermal Desktop (TD) model was also developed to analyze the CPST EDU direct ullage pressurization tests using both a single node and multi-node approach. The model includes the direct pressurant line, vent line, fill/drain line, and a TD FloCAD Compartment. The TD FloCAD Compartment is employed to represent the liquid and ullage as single volumes inside the tank, to include a liquid/vapor interface, and to generate network level objects such as lumps (analogous to nodes in GFSSP), paths, and ties between the fluid and thermal elements. An established heat load on the model tank was leveraged from a pre-existing higher-fidelity model correlated to CPST EDU test data.

pressurization↗
DOE OSTI2025

Free-spray characteristics and spray-wall interactions of methanol on a gasoline direct injector under flash-boiling and non-flash-boiling conditions

Methanol is considered a promising alternative fuel for internal combustion engines (ICEs) due to its high-octane number, fast laminar flame speed, and elevated latent heat of vaporization, all of which support higher compression ratios and improved thermal efficiency. However, its substantial latent heat of vaporization also poses cold-start challenges, such as misfire and fuel film deposition. This study aims to investigate methanol spray morphology and spray-wall interaction using the Spray M injector from the Engine Combustion Network within a constant-pressure flow vessel. A recently developed unified numerical framework capable of modeling both flash and non-flash boiling sprays is validated against experimental liquid volume fraction data acquired via 3-D computed tomography. Here, the results reveal that flash boiling significantly alters the spray morphology, leading to smaller droplets and spray collapse due to enhanced air-entrainment-induced turbulence. Quantitative agreement between experiments and simulations confirms this behavior. Coupled 0-D equilibrium and 3-D computational fluid dynamics analyses show that flash boiling accelerates evaporation and reduces fuel residence time, while non-flash conditions maintain a persistent liquid core more susceptible to wall wetting. Wall temperature diagnostics reveal that spray collapse alters heat transfer patterns by shifting cooling effects. Mixture fraction analysis indicates that evaporation is primarily governed by shear-layer turbulence, though deviations from adiabatic equilibrium mixing emerge under low-turbulence conditions. Finally, increasing fuel, ambient, and wall temperatures reduces wall wetting and film thickness, mitigating cold-start risks. These findings enhance the understanding of methanol sprays’ behavior and support its adoption as a viable, alternative fuel for ICEs.

Engine Combustion Network↗
DOE OSTI2021

Effects of detailed geometry and real fluid thermodynamics on Spray G atomization

We present recent results toward the quantification of spray characteristics at engine conditions for an eight-hole counter-bored (stepped) GDI injector-Spray G in the ECN denomination. This computational study is characterized by two novel features: the detailed description of a real injector's internal surfaces via tomographic reconstruction; and a general equation of state that represents the thermodynamic properties of homogeneous liquid-vapor mixtures. The combined level-set moment-of-fluid approach, coupled to an embedded boundary formulation for moving solid walls, makes it possible to seamlessly connect the injector's internal flow to the spray. The Large Eddy Simulation (LES) discussed here presents evidence of partial hydraulic flipping and, during the closing transient, string cavitation. Results are validated by measurements of spray density profiles and droplet size distribution.

42 ENGINEERING↗
NASA NTRS1990

Critical point wetting drop tower experiment

The 100 m Drop Tower at NASA-Marshall was used to provide the step change in acceleration from 1.0 to 0.0005 g. An inter-fluid meniscus oscillates vertically within a cylindrical container when suddenly released from earth's gravity and taken into a microgravity environment. Oscillations damp out from energy dissipative mechanisms such as viscosity and interfacial friction. Damping of the oscillations by the later mechanism is affected by the nature of the interfacial junction between the fluid-fluid interface and the container wall. In earlier stages of the project, the meniscus shape which developed during microgravity conditions was applied to evaluations of wetting phenomena near the critical temperature. Variations in equilibrium contact angle against the container wall were expected to occur under critical wetting conditions. However, it became apparent that the meaningful phenomenon was the damping of interfacial oscillations. This latter concept makes up the bulk of this report. Perfluoromethyl cyclohexane and isopropanol in glass were the materials used for the experiment. The wetting condition of the fluids against the wall changes at the critical wetting transition temperature. This change in wetting causes a change in the damping characteristics of the interfacial excursions during oscillation and no measurable change in contact angle. The effect of contact line friction measured above and below the wetting transition temperature was to increase the period of vertical oscillation for the vapor-liquid interface when below the wetting transition temperature.

Kaukler, William F.↗
DOE OSTI2024

Roles of Solvent in the Catalytic Hydrogen Release from Liquid Organic Hydrogen Carriers: Chemical, Thermodynamical and Technological Aspects

A Liquid Organic Hydrogen Carrier (LOHC) enables the storage and transport of hydrogen at ambient pressures and temperatures in a safe and convenient form using current infrastructure. However, it is challenging to directly compare reactivity and selectivity for hydrogen release, especially when comparing the catalytic efficiencies of neat LOHCs to highly diluted LOHCs in different solvents, reaction conditions, and catalysts. This work evaluates the role of solvents in catalysis and quantifies the energy efficiency of the overall process. The presence of solvent dilutes the volumetric density of available hydrogen, but may be necessary to achieve optimal catalysts stability, reactivity, and product selectivity. With respect to the reaction conditions as determined by thermodynamics, solvents with higher vapor pressures than that of the carrier can cause the erroneous impression of a more favorable reaction equilibrium. Concerning energy efficiency, solvents can result in increased energy demand for hydrogen release as the inert solvent must be heated to reaction temperatures required for release of H 2 from the LOHC. Further, this work recommends that investigations of catalyst reactivity should be carried out at different ratios of solvent to LOHC to understand how the reactivity changes and what the implications are for maximizing energy density and catalyst stability and reactivity. Investigations should also consider how these implications will affect the technical needs of applications intended for the LOHC system. Based on the results of this study, it is advised to focus research activities on LOHC systems with a gravimetric solvent content below about 50% as the thermodynamic disadvantages become very pronounced beyond this threshold.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Thermochemical Modeling of Radionuclide Vapor-Liquid Equilibria in Sodium Pools for SFR Mechanistic Source Term Analysis

Mechanistic source term (MST) analysis of sodium fast reactors (SFR) requires understanding of various radionuclide (RN) transport phenomena influencing potential releases from the fuel to the environment. One such phenomenon includes the retention or release of RNs from the sodium coolant pool, representing the step after possible fuel failures and influencing transport to the cover gas region. Thermodynamic vapor-liquid equilibria (VLE) calculations were performed on systems representing SFR sodium pools containing oxygen impurities and radionuclide (RN) inventories. First, an assessment and recreation of a previously developed thermodynamic database was completed, including updates to thermodynamic parameters. The RN inventories used in VLE calculations represented hypothetical source terms that might be released to the pool during previously analyzed fuel failure scenarios. The calculations were performed for all possible combinations of sodium pool size (i.e., total oxygen) and number of failed fuel pins (i.e., total RNs). In this way, multiple ratios of the RN relative to the oxygen impurity (RN:O) were compared for their impact on RN volatility, which is discussed in terms of the vapor fraction (VF), defined as the fraction of the RN that is calculated to exist in the vapor phase at equilibrium above condensed phases of that element. Similar trends in VLE behavior are seen in the equilibrium calculation results for elements of similar chemistry, and for some element types, it was found that the RN:O ratio can be important due to oxide formation, which typically exist in the condensed phase.

Shahbazi, Shayan↗
NASA NTRS1959

The Effect of Rapid Liquid-Phase Reactions on Injector Design and Combustion in Rocket Motors

Data are presented indicating the rates and magnitudes of energy released by the liquid-phase reactions of various propellant combinations. The data show that this energy release can contribute significantly to the rate of vaporization of the incoming propellants and thus aid the combustion process. Nevertheless, very low performances were obtained in rocket motors with conventional impinging-jet injectors when highly reactive systems such as N104-N2H4, were employed. A possible explanation for this low performance is that the initial reactions of such systems are so rapid that liquid-phase mixing is inhibited. Evidence for such an effect is presented in a series of color photographs of open flames using various injector elements. Based on these studies, some requirements are suggested for injector elements using highly reactive propellants. Experimental results are presented of motor tests using injector elements in which some of these requirements are met through the use of a set of concentric tubes. These tests, carried out at thrust levels of 40 to 800 lb per element, demonstrated combustion efficiencies of up to 98% based on equilibrium characteristic velocity values. Results are also presented for tests made with impinging-jet and splash-plate injectors for comparison.

Elverum, Gerard W., Jr.↗
DOE OSTI2024

Generative Physics-Informed Neural Network Solving Multi-Scale and Multi-Phase Plasma Chemical Flow Field

Low-temperature plasmas (LTPs) are non-equilibrium systems with near-room-temperature gas and highly energetic electrons. This makes them ideal for delicate applications in biomedicine and semiconductor manufacturing, enabling processes like wound healing, sterilization, etching, and plasma-enhanced chemical vapor deposition without thermal damage. However, LTPs involve complex chemistries, with hundreds of species and thousands of reactions, complicating their diagnosis, prediction, and control. Conventional diagnostics, such as Fourier-transform infrared spectroscopy (FTIR), laser-induced fluorescence (LIF), and optical emission spectroscopy (OES), offer limited species detection, while mass spectrometry (MS) struggles with low-sensitivity species. Additionally, LTP simulations face multi-scale challenges, as macroscopic fluid dynamics and microscopic particle collisions operate on vastly different timescales. To address these issues, we developed an artificial intelligence (AI) based diagnostic system: a generative physics-informed neural network (PINN-Gen) that can predict spatially resolved species concentrations and temperatures in LTPs by integrating experimental data from planar LIF with microscopic plasma chemical kinetics and macroscopic fluid mechanics, including plasma-liquid interactions at the interface between two phases. PINN-Gen solves no equations but checks the errors of physical laws by substituting the output from neural network, and the comparison with the experimental results. Thus, it naturally avoids the multi-scale difficulty of numerical simulations and predicts the results of conventionally unsolvable multi-scale and multi-phase problems. The real-time prediction will be robust due to the physical information used in the training of such a neural network, and only very limited input of condition required due to its generative feature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Depletion-driven thermochemistry of molten salt reactors: review, method, and analysis

Molten salt reactors (MSRs) are innovative advanced nuclear reactors that utilize nuclear fuel by dissolving it in a high-temperature liquid salt. This unique feature differentiates MSRs from other types of reactors and allows for enhanced safety and economic performance. The liquid fuel also entails several multiphysics effects that can complicate reactor design and operation. One primary effect termed here as depletion-driven thermochemistry is a driving force in altering the multiphysics behavior of the reactor. Essentially, depletion-driven thermochemistry is the effect that fuel depletion has on changing the chemical redox potential of the fuel salt over time. As the fuel is consumed, the redox potential shifts toward a more oxidizing state. Without active control, the changing chemistry due to depletion increases corrosion thereby limiting reactor component lifetimes. Additionally, the changing redox potential of the fuel salt alters the vapor pressures of chemical species dissolved in the fuel salt. Changing vapor pressures of species in the fuel salt is an important parameter to understand when off-gassing volatile species during normal reactor operation, and for source term characterization during accident scenario transients. The present work represents a fundamental step toward modeling and coupling the driving physics (i.e., neutronics and chemistry) involved in altering the redox potential in an MSR. Here, the neutronic code Griffin models the depletion of the fuel-salt system, while the chemical equilibrium code Thermochimica calculates the thermochemical state of the isotopic inventory, using the Molten Salt Thermodynamic Database - Thermochemical (MSTDB-TC). These two codes are tightly coupled to predict the impact of fuel depletion in altering the chemistry in MSR systems. Redox potential control methods are discussed and can be modeled using this multiphysics approach. The vapor pressures of chemical species that could be extracted to an off-gas system, as determined by the reactor’s thermochemical state, are examined. The neutronics-chemistry coupling developed in this work is expected to have potential application for analyzing corrosion, source term evolution, and material safeguards in MSR systems. Lastly, suggestions for areas of further improvements of the models to expand these capabilities by incorporating other coupled physics effects is provided.

Walker, Samuel A.↗