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Results for “Redox Reaction Kinetics”

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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

The Effect of Gravity on the Combustion Synthesis of Porous Ceramics and Metal Matrix Composites

Combustion synthesis (self propagating, high temperature synthesis-SHS) is a novel technique that is capable of producing many advanced materials. The ignition temperature (Tig) of such combustion synthesis reactions is often coincident with that of the lowest melting point reactant. The resultant liquid metal wets and spreads around the other solid reactant particles of higher melting points, thereby improving the reactant contact and kinetics, followed by formation of the required compounds. This ignition initiates a combustion propagating wave whose narrow reaction front rapidly travels through the reactants. Since this process is highly exothermic, the heat released by combustion often melts the reactant particles ahead of the combustion front and ignites the adjacent reactant layer, resulting in a self-sustaining reaction. Whenever a fluid phase (liquid or gas) is generated by the reaction system, gravity-driven phenomena can occur. Such phenomena include convective flows of fluid by conventional or unstable convection and settling of the higher density phases. A combustion process is often associated with various kinds of fluid flow. For instance, if the SHS reaction is carried out under inert or reactive gas atmospheres, or a volatile, e.g., B2O3, is deliberately introduced as a reactant, convective flows of the gas will occur due to a temperature gradient existing in the atmosphere when a combustion wave is initiated. The increased gas flow will produce a porous (or expanded) SHS product. Owing to the highly exothermic nature of many SHS reactions, liquid phase(s) can also form before, at, or after the combustion front. The huge temperature gradient at the combustion front can induce convective flows (conventional or unstable) of the liquid phase. Each of these types of convective fluid flow can change the combustion behavior of the synthesizing reaction, and, therefore, the resultant product microstructure. In addition, when two or more phases of different density are produced at or ahead of the propagating combustion front settling of the higher density phase will occur resulting in a non-uniform product microstructure and properties.

J J Moore↗
NASA NTRS2026

Hybrid Modeling Study on Grain Evolution in the Metal Welding Process and Its Potential Lunar Application

Metal is most commonly used structural material in a wide range of spacecraft, and welding is the principal method for joining metal components into functional systems. However, conducting welding experiments under extreme environments—such as microgravity or vacuum conditions in space—is prohibitively expensive and experimentally challenging. To overcome these limitations, multi-physics computational welding models provide a cost-effective and versatile alternative. In this work, the authors have developed a coupled thermal (fluid) microstructure simulation framework to model metal welding under varying gravity conditions. The framework integrates a mixed-mode heat transfer formulation (conduction, convection, and radiation) with molten pool fluid dynamics, enabling accurate prediction of temperature fields and weld-pool geometry. A grain growth model is further incorporated to capture the spatial and temporal evolution of microstructure, including grain size distribution and morphological transitions during solidification. This approach provides detailed insight into molten pool evolution and grain-level microstructure development throughout the welding process. By explicitly parameterizing environmental conditions, the model supports extrapolation to off-Earth manufacturing scenarios such as welding on the lunar surface. Tantalum—chosen in this study due to its high melting point, oxidation resistance, and mechanical stability at elevated temperatures—serves as the material system for model demonstration. Beyond Tantalum, the integrated multi-physics framework offers broad applicability for predictive welding simulations of various structural and refractory metals or alloys used in extreme terrestrial or extraterrestrial environments.

kinetic Monte Carlo (SPPARKS)↗
NASA NTRS1997

Sodium Sulfur Battery Cell Experiment (NaSBE)

The Ford Motor Company published papers describing new types of secondary battery comprised of: solid, sodium ion conducting electrolyte; liquid metal electrode; redox electrode; operating temperature between 300 and 400 deg. C; specific energy of 150 Wh/kg; and a nominal voltage of 2.0 V.

Garner, J. Christopher↗
NASA NTRS1995

Single-Drop Reactive Extraction/Extractive Reaction with Forced Convective Diffusion and Interphase Mass Transfer

An algorithm has been developed for the forced convective diffusion-reaction problem for convection inside and outside a droplet by a recirculating flow field hydrodynamically coupled at the droplet interface with an external flow field that at infinity becomes a uniform streaming flow. The concentration field inside the droplet is likewise coupled with that outside by boundary conditions at the interface. A chemical reaction can take place either inside or outside the droplet or reactions can take place in both phases. The algorithm has been implemented and results are shown here for the case of no reaction and for the case of an external first order reaction, both for unsteady behavior. For pure interphase mass transfer, concentration isocontours, local and average Sherwood numbers, and average droplet concentrations have been obtained as a function of the physical properties and external flow field. For mass transfer enhanced by an external reaction, in addition to the above forms of results, we present the enhancement factor, with the results now also depending upon the (dimensionless) rate of reaction.

Leonid S Kleinman↗
NASA NTRS1995

Single-Drop Reactive Extraction/Extractive Reaction With Forced Convective Diffusion and Interphase Mass Transfer

An algorithm has been developed for time-dependent forced convective diffusion-reaction having convection by a recirculating flow field within the drop that is hydrodynamically coupled at the interface with a convective external flow field that at infinity becomes a uniform free-streaming flow. The concentration field inside the droplet is likewise coupled with that outside by boundary conditions at the interface. A chemical reaction can take place either inside or outside the droplet, or reactions can take place in both phases. The algorithm has been implemented, and for comparison results are shown here for the case of no reaction in either phase and for the case of an external first order reaction, both for unsteady behavior. For pure interphase mass transfer, concentration isocontours, local and average Sherwood numbers, and average droplet concentrations have been obtained as a function of the physical properties and external flow field. For mass transfer enhanced by an external reaction, in addition to the above forms of results, we present the enhancement factor, with the results now also depending upon the (dimensionless) rate of reaction.

Leonid S Kleinman↗
NASA NTRSDate not supplied

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

The environments experienced by vehicles upon entry into planetary atmospheres generally result in severe aerothermodynamic loading. These flows are characterized by the formation of strong shock waves, behind which high temperatures and non-equilibrium environments are generated, and the accurate prediction of internal energy relaxation and chemical kinetics becomes important. This manuscript focuses on the internal relaxation of the rotational energy of polyatomic molecules. Previous work has described the implementation of a discrete rotational energy model for diatomic molecules (linear rotators). Later, Gimelshein et. al extended this model to include polyatomic molecular internal energies. However, they did not include details on how to generate the particles at equilibrium conditions and centrifugal distortion was not included in their model. The purpose of the present study is to extend the afore-mentioned models to the treatment of discrete rotational energy in polyatomic molecules with the addition of centrifugal distortion. An overview of the background theory needed for the implementation of the model will be given followed by the model itself and verification of the model. For example, sampled versus Boltzmann distributions are compared in Figure 1 for CH3 (oblate rotator – two quantum numbers) and examples of thermal relaxation behavior for linear and non-linear rotators are presented in Figure 2. In addition, comparisons of thermophysical properties will be presented, as well as examples of adiabatic relaxation and application to hypersonic flow.

Rarefied Gas Dynamics↗
NASA NTRS2026

Modeling Study of Hatch Spacing’s Effect on Grain Morphology in Repairing Damaged Metal Parts with Welding and Hatch Spacing’s Potential Use in Lunar Exploration

The welding process is a potential way of repairing a damaged metal component, especially cavity damage caused by a harsh environment like the lunar environment, which is characterized by large temperature differences and reduced gravity. The adjustment of welding parameter (e.g., hatch spacing) can improve production efficiency in the repair process. Seen from the microstructural level, hatch spacing sensitivity affects the metallic grain evolution and morphology in the welding process, which can further influence a repaired part’s mechanical properties; however, the study of hatch spacing’s effect on microstructure is challenging. Traditional experimental procedures are costly and time-consuming, and any change in hatch spacing value needs roll-back of experimental procedure. A modeling study can address the above challenges in experimental observation. In this research, a modeling approach based on the Kinetic Monte Carlo (KMC) Potts theory was used to simulate grain evolution and morphology with three hatch spacings. Through quantifying and analyzing the predicted grain morphologies, the effect of hatch spacing on microstructure in a welding-fabricated part was investigated. The predicted grain morphologies were validated with an EBSD image of welding microstructure, which has been published before. The primary grain morphologies were columnar grains with a small amount of fine equiaxed grains formed in the scanning path centerline. When increasing the hatch spacing, the columnar grains become larger and more lengthy, while the effect of hatch spacing on the equiaxed grains is not obvious.

Welding for repairing↗
NASA NTRSDate not supplied

Enabling Mission Flexibility to Battery Driven Deep Space Endeavors With Generalized Battery-Health-Monitoring Using Physics-Based and Data-Driven Reduced-Order Models

The needs and requirements for an electrochemical energy storage for deep space exploration is well explored. It is often understood that different mission sites and environmental conditions require different battery chemistries or technologies. Additionally, various engineering solutions are deployed to overcome specific chemical challenges. One often overlooked need is the “health” monitoring of an electrochemical storage system. The term generalized health monitoring, as envisioned in this work, refers to the monitoring of various aspects such as electrode health, electrolyte health, reaction pathway health, cooling system health, sensor health, and BMS health [1]. Generalized health monitoring allows mission leads, engineers, and scientists to incorporate flexibility in mission designs, make on-the-fly mission changes, and extend the duration of science missions. Moreover, it enables automation and data-driven decision-making without compromising safety and performance. Recently, our group developed a hierarchy of thermal reduced-order models (TROM) by combining a physics-based modeling approach and data-driven model reduction techniques applied to flight data [2]. The resulting TROMs were found to be not only accurate but also identifiable from the flight data. Consequently, the coefficient of variance of the model parameters is small over the course of hundreds of flights, allowing for monitoring the parameter evolution trajectories as the battery ages and degrades. These parameters constitute the metrics of the generalized health of a battery. Monitoring their evolution allows such models to be used for anomaly detection and prognostics, improving early detection of abnormal behavior and thus enabling timely maintenance, longer battery life, and enhanced battery safety. For this presentation, the practicality of the thermal model will be validated on a pack of 14cells under various topology configurations such as 1S14P, 2P7S, 7S2P, and 1P14S. It is well known that manufacturing and non-uniform aging lead to variability in the performance of a cell, which is exacerbated by cell balancing during active load. Additionally, in extreme scenarios, the paramount objective is to complete the mission, regardless of the stresses on the battery. Topology-induced balancing issues further stress the battery. The goal of this study is to determine if the noise (identifiability) in the reduced-order thermal model parameters is sensitive to topology, cell spacing, cooling strategy, and manufacturing or age variability. The variability in cells is considered by assuming a multimodal distribution for microscopic parameters of a cell (such as porosity, tortuosity, reaction kinetics, volumetric thermal conductivity, and volumetric heat capacity). The compounded effect of manufacturing variability, topological selection, cooling strategies, and cell balancing ages each cell in a battery differently. The study aims to clarify whether the challenge in extracting maximum information depends on the minimum number of sensors or models used for data extraction.

Automation↗
NASA NTRS1990

Gaseous Optical Contamination of the Spacecraft Environment: A Review

Interactions between the ambient atmosphere and orbiting spacecraft, sounding rockets, and suborbital vehicles, and with their effluents, give rise to optical (extreme UV to LWIR) foreground radiation which constitutes noise that raises the detection threshold for terrestrial and celestial radiations, as well as military targets. Researchers review the current information on the on-orbit optical contamination. Its source species are created in interaction processes that can be grouped into three categories: (1) Reactions in the gas phase between the ambient atmosphere and desorbates and exhaust; (2) Reactions catalyzed by exposed ram surfaces, which occur spontaneously even in the absence of active material releases from the vehicles; and (3) Erosive excitative reactions with exposed bulk (organic) materials, which have recently been identified in the laboratory though not as yet observed on spacecraft. Researchers also assess the effect of optical pumping by earthshine and sunlight of both reaction products and effluents.

Tran, N. H.↗
NASA NTRS2012

Analysis of Screen Channel LAD Bubble Point Tests in Liquid Methane at Elevated Temperature

This paper examines the effect of varying the liquid temperature and pressure on the bubble point pressure for screen channel Liquid Acquisition Devices in cryogenic liquid methane using gaseous helium across a wide range of elevated pressures and temperatures. Testing of a 325 x 2300 Dutch Twill screen sample was conducted in the Cryogenic Components Lab 7 facility at the NASA Glenn Research Center in Cleveland, Ohio. Test conditions ranged from 105 to 160K and 0.0965 – 1.78 MPa. Bubble point is shown to be a strong function of the liquid temperature and a weak function of the amount of subcooling at the LAD screen. The model predicts well for saturated liquid but under predicts the subcooled data.

Reaction Control System↗
NASA NTRSDate not supplied

Bosch Carbon Catalyst Regeneration in Water II: Analysis of Bosch Catalyst Beads Throughout the Initial Regeneration Process

Catalyst integrity is an important factor in reactor longevity since it changes the effectiveness of a reaction. A Carbon Formation Reactor (CFR), used within Series Bosch (S-Bosch), utilizes an iron alloy catalyst to convert carbon monoxide and hydrogen into water and solid carbon. The catalyst promotes the formation of carbon to such an extent that pressure-causing clogs form within the reactor and reaction sites on the catalyst become limited. To remove carbon from both the reactor and the surface of the iron alloy catalyst, a technique was developed that utilizes water, an In-Situ Resource Utilization (ISRU) Resource, and agitation to regenerate the reactor. To ascertain catalyst integrity throughout this regenerative process, sample catalyst beads were taken before and after the carbon formation reaction, and then after the regeneration process. Additionally, wastewater from the regeneration process was sampled. The sampled beads and wastewater were observed under a Scanning Electron Microscopy (SEM) microscope and the beads were chemically etched to determine if the catalyst had degraded at any point during this process, and if catalyst was lost. Minimal catalyst degradation was observed after carbon formation in the CFR.

regeneration↗
NASA NTRSDate not supplied

Bosch Carbon Catalyst Regeneration in Water II: Analysis of Bosch Catalyst Beads Throughout the Initial Regeneration Process

Catalyst integrity is an important factor in reactor longevity since it changes the effectiveness of a reaction. A Carbon Formation Reactor (CFR), used within Series Bosch (S-Bosch), utilizes an iron alloy catalyst to convert carbon monoxide and hydrogen into water and solid carbon. The catalyst promotes the formation of carbon to such an extent that pressure-causing clogs form within the reactor and reaction sites on the catalyst become limited. To remove carbon from both the reactor and the surface of the iron alloy catalyst, a technique was developed that utilizes water, an In-Situ Resource Utilization (ISRU) Resource, and agitation to regenerate the reactor. To ascertain catalyst integrity throughout this regenerative process, sample catalyst beads were taken before and after the carbon formation reaction, and then after the regeneration process. Additionally, wastewater from the regeneration process was sampled. The sampled beads and wastewater were observed under a Scanning Electron Microscopy (SEM) microscope and the beads were chemically etched to determine if the catalyst had degraded at any point during this process, and if catalyst was lost. Minimal catalyst degradation was observed after carbon formation in the CFR.

Series Bosch↗
NASA NTRS2026

Biobased Polybenzoxazine Derived from Furfurylamine and Piceol with Low Cure Temperature and Advanced Properties for Composite Matrices

A novel benzoxazine made from furfurylamine, paraformaldehyde, and piceol, Bz-FA-HA, is assessed for applications in fiber reinforced (FR) composites. Piceol is a biobased phenolic compound derived from the roots of Norwegian spruce trees and contains a methyl ketone group at the para position. Bz-FA-HA is a liquid at room temperature, has a viscosity of < 1 Pa.s at temperatures above 90 °C, and a Tonset of cure at 132 °C. The carbonyl is found to react with the furan ring, yielding a crosslinking reaction, when cured above 180 °C as indicated by differential scanning calorimetry and thermogravimetric analysis coupled with Fourier transform infrared spectroscopy. Poly(Bz-FA-HA) has a Tg > 350 °C, attributed to the crosslinking reaction. Furthermore, the storage modulus is > 3 GPa, regardless of cure temperature. Poly(Bz-FA-HA) has a char yield at 800 °C of 65.0 % (62.3 % at 1000 °C), and a Tonset of decomposition of 357 °C in nitrogen. The resulting carbon formed during pyrolysis shrinks during the carbonization reaction and scanning electron microscopy imaging shows a cross-section with micro cracks. The high processability, advanced mechanical properties, and exceptional char yield make it a promising candidate as the matrix for FR composites.

Benzoxazine↗
NASA NTRS1975

Acid/alkali bromide secondary battery

Secondary electrochemical battery has been developed which has high energy/ weight density. Battery is rechargeable and works on reaction between hydrogen and bromine.

England, C.↗
NASA NTRS1978

Self Discharge of Nickel-Hydrogen Cells

Values for the capacity loss with time, naturally on open circuit stand, and information regarding the minimum amount of circuit charge needed to keep the cell charged can be determined from the self-discharge behavior of nickel hydrogen cells. Furthermore, the rate of reaction between hydrogen and a charged nickel electrode is also open for nickel cadmium batteries. In a nickel hydrogen cell, the hydrogen is stored as pressurized gas and the cell stack with the charge that is oxidized nickel-hydroxide electrode is in direct contact with the hydrogen. Therefore, the rate of reaction can be measured easily and precisely by monitoring the charge, the change in hydrogen pressure with time. Measures made on twelve 15 ampere hour nickel hydrogen cells of different stack configurations built for COMSAT are discussed.

G Holleck↗
NASA NTRS2026

Thermochemical Stability of Ca2Yb8(SiO4)6O2 Apatite in Presence of Molten Calcium-Magnesium-Aluminosilicate (CMAS)

Thermochemical stability of ytterbium silicon oxyapatite Ca 2 Yb 8 (SiO 4 ) 6 O 2 (CYbS) in the presence of molten calcium-magnesium aluminosilicate (CMAS) has been investigated at elevated temperatures for consideration as a thermal and environmental barrier coating (T/EBC) material. CYbS apatite powder was synthesized from the constituent oxides via a solid-state reaction method. Hot-pressed apatite substrates were exposed to molten CMAS at 1200, 1300, and 1400 °C for 1, 10, and 50 h. Development of phases in the interaction region of the heat-treated specimens was monitored using scanning electron microscopy, transmission electron microscopy, high-angle annular dark-field imaging, selected area electron diffraction, and energy dispersive x-ray spectroscopy. Monoclinic cyclosilicate Ca 3 Yb 2 (Si 3 O 9 ) 2 formed from interaction of CYbS apatite with CaO in the CMAS melt at the apatite-CMAS reaction front and continued to nucleate and grow within the residual CMAS in diffusion couples annealed for 1 to 50 h at 1200 °C as well as in those heat treated at 1300 °C for 1 h. Residual CMAS was depleted of Ca when cyclosilicate was present. Dendritic wollastonite (CaSiO3) was observed within the residual CMAS in couples annealed at 1200 and 1300 °C. Ingress of molten CMAS, because of its exponential decrease in viscosity, occurred through open pores and along the grain boundaries of the apatite substrates without any detectable chemical reaction at 1300 and 1400 °C. Results of this study indicate that Ca 2 Yb 8 (SiO 4 ) 6 O 2 apatite has the potential to mitigate the CMAS corrosion up to about 1200 °C but not at higher temperatures.

Narottam P Bansal↗
NASA NTRS1965

Solar-Wind Bombardment of a Surface in Space

The solar wind is described and its effects on surfaces are reviewed. Experimental results are given for materials subjected to simulated solar-wind bombardment. Among the effects discussed are sputtering-type erosion, chemical reaction with paint vehicles and reduction of oxide pigments, and production of lunar-surface optical characteristics in a basalt powder.

Solar Wind↗