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Results for “enthalpy of vaporization”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Technoeconomic analysis of hydrogen storage using 1,4-butanediol (BDO)/γ-butyrolactone (GBL) as a stationary backup power system

Liquid organic hydrogen carriers (LOHCs) are compounds that store and release hydrogen in stable forms at high density. While one-way carriers such as methanol and ammonia have gained attention, their economic advantages are often realized from their use as an export product and direct use as a fuel. Liquid carrier materials that can instead be cycled for energy storage have promise for stationary power applications. In particular, the reversible LOHC system 1,4-butanediol (BDO, H 2 -rich) and gamma-butyrolactone (GBL, H 2 -lean) has a lower enthalpy of dehydrogenation compared to conventional cyclic hydrocarbons and can utilize non-precious metal copper-based catalysts. Here, in this study, BDO/GBL system capital and operating expenses are characterized for vapor phase versus liquid phase hydrogenation and dehydrogenation in a 10 MW backup power application corresponding to sizing of Tier 2 datacenters as well as other critical infrastructure such as hospitals. Costs are benchmarked against two incumbent technologies: a well-established methylcyclohexane/toluene carrier system and compressed gas storage. BDO/GBL storage costs are found to differ substantially between operating modes, with liquid phase hydrogenation coupled with liquid phase dehydrogenation leading to the lowest LCOS of $\$$4.58/kg H 2 in the absence of byproduct formation. In this bounding case, LCOS for the BDO/GBL system is lower than for MCH/TOL ($\$$6.97/kg H 2 ) and compressed gas ($\$$8.48/kg H 2 at 170 bara and $\$$12.05/kg H 2 at 350 bara). However, escalating costs of carrier replacement due to byproduct formation (ranging from an added $\$$6–11/kg H 2 ) illustrate the need for highly selective catalysts to ensure BDO/GBL carrier viability.

BDO/GBL↗
DOE OSTI2026

Phase change material-to-refrigerant heat exchangers: Experimental validation and uneven melting analysis

Thermal energy storage (TES) using phase change materials (PCMs) enables load shifting and reduces mismatches between the building's thermal demand and the heat pump (HP) system's thermal capacity. While most TES studies have focused on single-phase heat transfer fluids, PCM-to-refrigerant heat exchangers (PRHX), in which the refrigerant undergoes liquid-vapor phase change, remain largely underexplored. Here, to address this gap, this study systematically investigates a shell-and-tube PRHX operating as the condenser in an HP through experiments and simulations. A two-dimensional enthalpy-based finite-volume PRHX model was developed and validated against experimental data, including refrigerant and PCM temperature profiles, PRHX capacity, and system-level performance. Results show three characteristic stages: Stage I, the condenser temperature rapidly increases with PCM in the solid state absorbing sensible heat; Stage II, stable operation during PCM phase change; and Stage III, performance decline once part of the PCM becomes fully melted. Heat transfer analysis revealed that uneven PCM melting along the condenser length was driven primarily by variations in the refrigerant-side heat transfer coefficient, rather than local approach temperature differences. Further study demonstrated that minimizing refrigerant outlet subcooling led to more uniform PCM melting and extended Stages I and II by up to 89%. This paper provides a validated PRHX model, clarifies the mechanisms of uneven PCM melting, and highlights subcooling control as an effective strategy to improve TES performance in HP systems without requiring secondary loops.

Graphite matrix↗
DOE OSTI2022

Structure and thermodynamics of calcium rare earth silicate oxyapatites, Ca 2 RE 8 (SiO 4 ) 6 O 2 (RE = Pr, Tb, Ho, Tm)

Calcium rare earth silicate oxyapatites, (Ca 2 RE 8 (SiO 4 ) 6 O 2 ), are of interest as components of glass-ceramic nuclear waste forms. To assess their long-term behavior in a geologic repository, it is essential to determine their structure and thermodynamic stability at relevant conditions. Here, in this work, we performed detailed structural and thermodynamic investigations on Ca 2 Pr 8 (SiO 4 ) 6 O 2 , Ca 2 Tb 8 (SiO 4 ) 6 O 2 , Ca 2 Ho 8 (SiO 4 ) 6 O 2 , and Ca 2 Tm 8 (SiO 4 ) 6 O 2 by high energy synchrotron powder X-ray diffraction combined with Rietveld analysis and high temperature oxide melt drop solution calorimetry. Enthalpies of formation from constituent oxides (ΔH f,ox ) were determined to be -765.1 ± 22.8 kJ/mol for Ca 2 Pr 8 (SiO 4 ) 6 O 2 ; -638.9 ± 20.5 kJ/mol for Ca 2 Tb 8 (SiO 4 ) 6 O 2 ; -643.3 ± 10.3 kJ/mol for Ca 2 Ho 8 (SiO 4 ) 6 O 2 ; and -403.2 ± 5.1 kJ/mol for Ca 2 Tm 8 (SiO 4 ) 6 O 2 . These thermodynamic parameters were used in assessing the thermochemical stability of these phases in the presence of water vapor from room temperature to 600 K, as encountered in the subsurface environments of a geological repository.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The causal relationship between melt pool geometry and energy absorption measured in real time during laser-based manufacturing

During laser powder bed fusion additive manufacturing, laser power absorption is governed by a pro -tean pool of molten metal that can present as a highly reflective surface, a deeply absorbing cavity, or some amalgamation thereof. These melt pool dynamics have been linked to defect creation, porosity, and surface finish quality. Although these are therefore critical for determining final part quality, their in-stantaneous influence on laser absorption have only been explored through simulation. To date, direct real-time observations have been elusive due to the locally extreme environment. In this work, we fo-cus a laser on Ti-6Al-4V powder and bare plate while quantifying the time-dependent, absolute energy absorption by monitoring omnidirectional backscattered laser intensity. We also simultaneously record the projective melt pool geometries with high-speed synchrotron x-ray imaging. We find that laser ab-sorption strongly reflects the stability of the vapor depression over a wide range of applied laser powers, oxygen content in the processing atmosphere, and with the presence of powder. During laser scanning of a powder bed surface, we find a significant absorption reduction after 400 mu s due to a dramatic change in the vapor depression aspect ratio-an event known to create porosity. Furthermore, as several industrial scan strate-gies necessitate thousands of these events during a build, their identification and control is of significant practical importance. Lastly, a normalized enthalpy model is demonstrated to be effective in quantifying the relationship between the laser absorption and cavity depth, even under transient conditions. In addi-tion to providing vital quantitative data for simulation calibration, the correlation of melt pool geometry with laser absorption during realistic processing conditions suggests the use of a total backscattered light detection system for real-time process control.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Surface Equilibration Mechanism Controls the Stability of a Model Codeposited Glass Mixture of Organic Semiconductors

While previous work has identified the conditions for preparing ultrastable single-component organic glasses by physical vapor deposition (PVD), little is known about the stability of codeposited mixtures. Here, we prepared binary PVD glasses of organic semiconductors, TPD (N,N'-Bis(3-methylphenyl)-N,N'-diphenylbenzidine) and m-MTDATA (4,4',4"-Tris[phenyl(m-tolyl)amino]triphenylamine), with a 50:50 mass concentration over a wide range of substrate temperatures (T sub ). The enthalpy and kinetic stability are evaluated with differential scanning calorimetry and spectroscopic ellipsometry. Binary organic semiconductor glasses with exceptional thermodynamic and kinetic stability comparable to the most stable single-component organic glasses are obtained when deposited at T sub = 0.78–0.90T g (where T g is the conventional glass transition temperature). When deposited at 0.94T g , the enthalpy of the m-MTDATA/TPD glass equals that expected for the equilibrium liquid at that temperature. Thus, the surface equilibration mechanism previously advanced for single-component PVD glasses is also applicable for these codeposited glasses. Furthermore, these results provide an avenue for designing high-performance organic electronic devices.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Advances in Entry Modeling for Impact Risk Assessment

A summary of recent advancements in the detailed modeling of asteroid atmospheric entry processes made through NASA’s Asteroid Threat Assessment Project (ATAP) is presented. Understanding, and accurately modeling these processes and their associated uncertainties is critical to predicting all downstream impact effects, such as blast wave and thermal damage footprints. Furthermore, there is (perhaps thankfully) a dearth of empirical data for large impactors of the kind that would pose a threat to human populations, on which to anchor and/or validate models used in risk assessments. Therefore, we must rely heavily on detailed theoretical and numerical modeling to develop robust assessments for decision makers. To that end, ATAP has made some significant progress in advancing the capabilities in this area. Two areas in particular are highlighted in the present work: meteoroid ablation mechanisms, and bolide luminosity. The first research area – meteoroid ablation mechanisms – has focused on performing novel high-enthalpy wind tunnel experiments on meteorites and meteorite analogs, and utilizing the resulting data to develop high-fidelity models for impactor mass loss at scale. These efforts have resulted in several insights. Of note, these data suggest a differential vaporization process where volatiles are liberated preferentially when the asteroidal material is subject to high heat, while refractory components remain in the molten layer on the surface. A numerical model has been developed which considers this phenomena, and its effect on the bulk impactors effective heat of ablation is examined. The second research thrust that is discussed is focused on accurate modeling of impactor radiation phenomena. While another submission to the conference will discuss the application of our approach to thermal ground damage modeling, here, we present an overview of our extensive efforts to utilize available ground- and space-based observations of large bolides (~1m diameter, and above) to inform and validate our detailed modeling approaches. These methods have been shown to accurately reconstruct the detailed spectra for the Benesov bolide, as well as approximate the burn footprint for the Tunguska event. Recent effort has focused on reconciling light curve data from multiple sources (all-sky camera networks, GLM, US government sensors), using our validated model, and providing a calibrated model for luminous efficiency which can then be utilized to infer impactor properties such as shape, mass, and composition. This work will be demonstrated through an exemplar case study focusing on a large bolide event with observational data (e.g. Chelyabinsk, Flensburg, etc.). Finally, our team’s assessment on the current maturity of atmospheric entry models, and priorities for future research will be provided.

ATAP↗
DOE OSTI2021

An Experimental Study of the Solubility of Rare Earth Chloride Salts (La, Nd, Er) in HCl Bearing Water Vapor from 350 – 425 °C

In this work, the solubilities of the rare earth chlorides REECl 3 , where REE = (La, Nd, Er), were measured in HCl bearing water vapor from 350 – 425°C with water partial pressures ranging from 8 – 170 bar. Solubility data were fit to the Pitzer-Pabalan quasi-chemical model in order to extract thermodynamic parameters for the formation of the gaseous REE-chloride-water clusters REECl 3 (H 2 O) n . The data show that the solubility of the REE chlorides are orders of magnitude higher than salts such as NaCl or CuCl at low water fugacities, despite their sublimation energies being substantially higher. This enhanced solubility is likely due to the high enthalpy associated with binding a single water molecule to form the species REECl 3 (H 2 O), with derived enthalpies ranging from –378 to –465 kJ/mol. Addition of further water molecules to form higher order clusters (n > 1) involves enthalpy changes of ~ -20 kJ/mol, and are in effect thermodynamically suppressed over the temperature range 350 – 425°C. Despite the enhanced solubility of small REECl 3 water clusters, simulations of boiling processes demonstrate that the REE show highly conservative behavior, partitioning strongly into the dense aqueous phase. Not surprisingly, the presence of phosphates in the system makes this effect even more pronounced, completely immobilizing the REE. This would reduce transport in both the vapor and aqueous phase to negligible levels. However, we suggest that vapor phase transport of the REE may play a significant role in systems having a relatively low partial pressure of water (below the saturation point), where the relatively high stability of the first hydrated REE chloride clusters (REECl 3 (H 2 O) and REECl 3 (H 2 O) 2 ) will give a preference for gas transport of the REE relative to other elements. This can likely happen in systems involving a gas/melt exchange in fumarolic exhalations, where water vapor discharges at relatively low (close to atmospheric) pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Thermodynamic Framework for Water in Deep Eutectic Solvents and Ionic Liquids

Water is widely recognized as critical to the tunability and electrochemical stability of nonaqueous solvents such as deep eutectic solvents (DESs) and ionic liquids (ILs). Traditionally, the water content of these solvents has been controlled by either drying or adding small amounts of water to control their bulk properties to meet specific application requirements. The total water content by itself, does not provide sufficient information about the chemical reactivity and molecular interactions within DES– and IL–water mixtures. In this concept article, water activity is highlighted as a thermodynamically more rigorous descriptor to quantify the influence of the co‐solvent water on DES– and IL–water mixtures. Water activity relates measurable physical properties, such as vapor pressure, density, viscosity, electrochemical stability, and conductivity of DESs and ILs to the underlying molecular interactions between their components. Furthermore, water activity of DESs and ILs correlates with changes in local solvent structures and thermodynamic excess properties, including excess molar volume, enthalpy, and Gibbs energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Radiation effect on rocket engine performance

The effects of radiation on the performance of modern rocket propulsion systems operating at high pressure and temperature were recognized as a key issue in the design and operation of various liquid rocket engines of the current and future generations. Critical problem areas of radiation coupled with combustion of bipropellants are assessed and accounted for in the formulation of a universal scaling law incorporated with a radiation-enhanced vaporization combustion model. Numerical algorithms are developed and the pertaining data of the Variable Thrust Engine (VTE) and Space Shuttle Main Engine (SSME) are used to conduct parametric sensitivity studies to predict the principal intercoupling effects of radiation. The analysis reveals that low enthalpy engines, such as the VTE, are vulnerable to a substantial performance set back by the radiative loss, whereas the performance of high enthalpy engines such as the SSME, are hardly affected over a broad range of engine operation. Additionally, combustion enhancement by the radiative heating of the propellant has a significant impact in those propellants with high absorptivity. Finally, the areas of research related with radiation phenomena in bipropellant engines are identified.

Chiu, Huei-Huang↗
NASA NTRS1990

Radiation effect on rocket engine performance

Critical problem areas involving the effect of radiation on the combustion of bipropellants are addressed by formulating a universal scaling law in combination with a radiation-enhanced vaporization combustion model. Numerical algorithms are developed and data pertaining to the Variable Thrust Engine (VTE) and the Space Shuttle Main Engine (SSME) are used to conduct parametric sensitivity studies to predict the principal intercoupling effects of radiation. The analysis reveals that low-enthalpy engines, such as the VTE, are vulnerable to a substantial performance setback due to radiative loss, whereas the performance of high-enthalpy engines such as the SSME are hardly affected over a broad range of engine operation. Combustion enhancement by radiative heating of the propellant has a significant impact on propellants with high absorptivity.

Chiu, Huei-Huang↗
NASA NTRS1996

Analysis of Two-Phase Flow in Damper Seals for Cryogenic Turbopumps

Cryogenic damper seals operating close to the liquid-vapor region (near the critical point or slightly su-cooled) are likely to present two-phase flow conditions. Under single phase flow conditions the mechanical energy conveyed to the fluid increases its temperature and causes a phase change when the fluid temperature reaches the saturation value. A bulk-flow analysis for the prediction of the dynamic force response of damper seals operating under two-phase conditions is presented as: all-liquid, liquid-vapor, and all-vapor, i.e. a 'continuous vaporization' model. The two phase region is considered as a homogeneous saturated mixture in thermodynamic equilibrium. Th flow in each region is described by continuity, momentum and energy transport equations. The interdependency of fluid temperatures and pressure in the two-phase region (saturated mixture) does not allow the use of an energy equation in terms of fluid temperature. Instead, the energy transport is expressed in terms of fluid enthalpy. Temperature in the single phase regions, or mixture composition in the two phase region are determined based on the fluid enthalpy. The flow is also regarded as adiabatic since the large axial velocities typical of the seal application determine small levels of heat conduction to the walls as compared to the heat carried by fluid advection. Static and dynamic force characteristics for the seal are obtained from a perturbation analysis of the governing equations. The solution expressed in terms of zeroth and first order fields provide the static (leakage, torque, velocity, pressure, temperature, and mixture composition fields) and dynamic (rotordynamic force coefficients) seal parameters. Theoretical predictions show good agreement with experimental leakage pressure profiles, available from a Nitrogen at cryogenic temperatures. Force coefficient predictions for two phase flow conditions show significant fluid compressibility effects, particularly for mixtures with low mass content of vapor. Under these conditions, an increase on direct stiffness and reduction of whirl frequency ratio are shown to occur. Prediction of such important effects will motivate experimental studies as well as a more judicious selection of the operating conditions for seals used in cryogenic turbomachinery.

Arauz, Grigory L.↗
NASA NTRS1990

Two-dimensional model of a Space Station Freedom thermal energy storage canister

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase change salt containment canister. A 2-D, axisymmetric finite difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions and forced convection in the heat engine working fluid. Void shape, location, growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between ground based canister performance (in l-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Kerslake, Thomas W.↗
NASA NTRS1991

Multi-dimensional modeling of a thermal energy storage canister

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change material (PCM) contained in toroidal canisters for thermal energy storage. Presented are the results from heat transfer analyses of a PCM containment canister. One and two dimensional finite difference computer models are developed to analyze heat transfer in the canister walls, PCM, void, and heat engine working fluid coolant. The modes of heat transfer considered include conduction in canister walls and solid PCM, conduction and pseudo-free convection in liquid PCM, conduction and radiation across PCM vapor filled void regions, and forced convection in the heat engine working fluid. Void shape, location, growth or shrinkage (due to density difference between the solid and liquid PCM phases) are prescribed based on engineering judgment. The PCM phase change process is analyzed using the enthalpy method. The discussion of the results focuses on how canister thermal performance is affected by free convection in the liquid PCM and void heat transfer. Characterizing these effects is important for interpreting the relationship between ground-based canister performance (in 1-g) and expected on-orbit performance (in micro-g). Void regions accentuate canister hot spots and temperature gradients due to their large thermal resistance. Free convection reduces the extent of PCM superheating and lowers canister temperatures during a portion of the PCM thermal charge period. Surprisingly small differences in canister thermal performance result from operation on the ground and operation on-orbit. This lack of a strong gravity dependency is attributed to the large contribution of container walls in overall canister energy redistribution by conduction.

Kerslake, Thomas W.↗
NASA NTRS2014

Experimental and Theoretical Study of Thermodynamics of the Reaction of Titania and Water at High Temperatures

The transpiration method was used to determine the volatility of titanium dioxide (TiO2) in water vapor-containing environments at temperatures between 1473 and 1673 K. Water contents ranged from 0 to 76 mole % in oxygen or argon carrier gases for 20 to 250 hr exposure times. Results indicate that oxygen is not a key contributor to volatilization and the primary reaction for volatilization in this temperature range is: TiO2(s) + H2O(g) = TiO(OH)2(g). Data were analyzed with both the second and third law methods to extract an enthalpy and entropy of formation. The geometry and vibrational frequencies of TiO(OH)2(g) were computed using B3LYP density functional theory, and the enthalpy of formation was computed using the coupled-cluster singles and doubles method with a perturbative correction for connected triple substitutions [CCSD(T)]. Thermal functions are calculated using both a structure with bent and linear hydroxyl groups. Calculated second and third heats show closer agreement with the linear hydroxyl group, suggesting more experimental and computational spectroscopic and structural work is needed on this system.

equilibrium↗
NASA NTRS1990

Two-dimensional model of a Space Station Freedom thermal energy storage canister

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase-change salt containment canister. A 2-D, axisymmetric finite-difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions, and forced convection in the heat engine working fluid. Void shape, location, and growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between groundbased canister performance (in 1-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Kerslake, Thomas W.↗
NASA NTRS1986

Theoretical and experimental investigation of the destruction of graphites in a flow of dissociated air

A method is presented for calculating the heating and erosion of blunt bodies made of graphite in a high-enthalpy flow of dissociated air, assuming chemical equilibrium on the surface and taking account of the thermal effects of combustion and sublimation of graphite. The analysis involves the use of a finite difference scheme to solve an equation of unsteady heat conduction. Attention is given to the equilibrium vaporization of C, C2 and C3 molecules. The calculations agree well with experimental data for a wide range of temperatures and stagnation pressures.

Bovina, T. A.↗
NASA NTRS1972

Thermophysical properties of parahydrogen from the freezing liquid line to 5000 R for pressures to 10000 psia

The tables include entropy, enthalpy, internal energy, density, volume, speed of sound, specific heat, thermal conductivity, viscosity, thermal diffusivity, Prandtl number, and the dielectric constant for 65 isobars. Quantities of special utility in heat transfer and thermodynamic calculations are also included in the isobaric tables. In addition to the isobaric tables, tables for the saturated vapor and liquid are given, which include all of the above properties, plus the surface tension. Tables for the P-T of the freezing liquid, index of refraction, and the derived Joule-Thomson inversion curve are also presented.

Mccarty, R. D.↗
NASA NTRS1998

Current Status on the use of Parallel Computing in Turbulent Reacting Flow Computations Involving Sprays, Monte Carlo PDF and Unstructured Grids

The state of the art in multidimensional combustor modeling as evidenced by the level of sophistication employed in terms of modeling and numerical accuracy considerations, is also dictated by the available computer memory and turnaround times afforded by present-day computers. With the aim of advancing the current multi-dimensional computational tools used in the design of advanced technology combustors, a solution procedure is developed that combines the novelty of the coupled CFD/spray/scalar Monte Carlo PDF (Probability Density Function) computations on unstructured grids with the ability to run on parallel architectures. In this approach, the mean gas-phase velocity and turbulence fields are determined from a standard turbulence model, the joint composition of species and enthalpy from the solution of a modeled PDF transport equation, and a Lagrangian-based dilute spray model is used for the liquid-phase representation. The gas-turbine combustor flows are often characterized by a complex interaction between various physical processes associated with the interaction between the liquid and gas phases, droplet vaporization, turbulent mixing, heat release associated with chemical kinetics, radiative heat transfer associated with highly absorbing and radiating species, among others. The rate controlling processes often interact with each other at various disparate time 1 and length scales. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and liquid phase evaporation in many practical combustion devices.

Raju, M. S.↗