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Results for “Conditional rate functions”

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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Evaporation of Cu, Sn, and S from Fe-C-Cu-Sn-S Liquid Alloys in the Temperature Range from 1513 K to 1873 K (1240 °C to 1600 °C)

Evaporation of Cu or Sn from liquid iron alloys containing C and S was experimentally investigated. The initial C concentration, [pct C] 0 , in the liquid alloy was varied from zero to C saturation, and the evaporation temperature was varied from 1513 K to 1773 K (1240 °C to 1500 °C). Along with the report by one of the present authors, the evaporation mechanism of Cu and Sn from liquid Fe-C-S alloy is proposed, after a modification from the previous mechanism. It was proposed that Cu and Sn evaporate as Cu(g) and Sn(g) and also evaporate as CuS(g) and SnS(g), which are more volatile species. Therefore, availability of S in the alloy affects the overall evaporation rate of Cu and Sn. At the same time, C in the alloy also forms volatile carbosulfides CS(g) and CS 2 (g), thereby competing with Cu and Sn. Moreover, C increases the activity coefficients of Cu, Sn, and S. This increases the thermodynamic driving force for the formation of CuS(g) and SnS(g). Therefore, increasing [pct C] partly accelerates the evaporation rate of Cu and Sn by increasing the activity coefficient but partly decelerates the evaporation rate by lowering the available S content. S partly accelerates the evaporation rate by increasing the available S for the sulfide gas species but partly decelerates the evaporation rate due to the surface poisoning effect. Increasing the reaction temperature increases the overall evaporation rate. All these facts were taken into account in order to develop an evaporation rate model. This model was extended from the present authors’ previous one by taking into account (1) CS(g), S(g), and CS{ 2 (g) (therefore, the following species were considered as dominant evaporating species: Cu(g), CuS(g), Sn(g), SnS(g), S(g), CS(g), and CS 2 (g)); (2) the effect of C and temperature on the activity coefficients of Cu, Sn, and S; (3) the effect of C and temperature on the density of the liquid alloy; and (4) the effect of temperature on the S adsorption coefficient. This revised evaporation model was used in order to explain the experimental data, and it showed good agreement. In particular, it was found that the temperature showed a significant effect on the evaporation rate, and the effect of temperature and C content on the activity coefficients of Cu, Sn, and S also significantly affected the evaporation rate. The chemical reaction rate constant of the individual evaporation reaction (k i } R ) and residual rate constant (k i r ) could be obtained as a function of temperature. The activation energy of each evaporation reaction was derived and discussed. The evaporation rate model can be applied in order to predict the content of Cu and Sn remaining in liquid iron under various conditions of temperature and [pct C].

36 MATERIALS SCIENCE↗
DOE OSTI2021

Drying model of a high salt content cementitious waste form: Effect of capillary forces and salt solution

Highlights: • Drying model for a high salt content cementitious waste form is developed. • Water vapor diffusion and capillary liquid flow are distinguished. • Capillary and salt solution effects are considered in vapor-liquid equilibrium. A water transport model coupling capillary liquid flow with vapor diffusion is developed to describe the drying process for a cementitious waste form with high salinity porewater. Vapor-liquid equilibrium is formulated as the driving force for vapor diffusion and the model accounts for pore capillary and high salinity effects on water thermodynamic activity. Pore filling and porewater surface tension as a function of pore size distribution and water saturation have been quantified for the material. Geochemical speciation modeling is used to simulate porewater activity as a function of composition over the range of saturation. The theoretical relationship between relative humidity and water saturation generally agrees with experimental measurement, and the developed model is capable of predicting drying rates under various external relative humidity conditions. The model was developed to be incorporated into reactive transport models considering the effects of drying such as salt redistribution and efflorescence.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Experimental and theoretical study of the near IR emission of xenon excited by a fast electron beam

Emission of xenon excited by a 120-keV electron beam at gas pressures of 100, 200, 500, and 760 Torr nm was studied experimentally and theoretically. More than 30 spectral lines were identified in the wavelength range of 750–1000 nm. A self-consistent kinetic model is developed to calculate the emission intensity of xenon atoms in the near IR range. The model includes balance equations for the number densities of electrons, ions and excimer molecules; equations for the populations of electron levels; and the Boltzmann equation for the low-energy part of the electron energy distribution function with a source of slow electrons. Excitation and ionization rates of xenon by the beam electrons and the energy spectrum of slow electrons are calculated by the Monte Carlo method. It is shown that, under these conditions, the main mechanism of xenon atom excitation is dissociative recombination of Xe{sub 3}{sup +} ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Spatial and temporal variability of turbulence dissipation rate in complex terrain

To improve parameterizations of the turbulence dissipation rate (ϵ) in numerical weather prediction models, the temporal and spatial variability of ϵ must be assessed. In this study, we explore influences on the variability of ϵ at various scales in the Columbia River Gorge during the WFIP2 field experiment between 2015 and 2017. We calculate ϵ from five sonic anemometers all deployed in a ~4 km 2 area as well as from two scanning Doppler lidars and four profiling Doppler lidars, whose locations span a ~300 km wide region. We retrieve ϵ from the sonic anemometers using the second-order structure function method, from the scanning lidars with the azimuth structure function approach, and from the profiling lidars with a novel technique using the variance of the line-of-sight velocity. The turbulence dissipation rate shows large spatial variability, even at the microscale, especially during nighttime stable conditions. Orographic features have a strong impact on the variability of ϵ, with the correlation between ϵ at different stations being highly influenced by terrain. ϵ shows larger values in sites located downwind of complex orographic structures or in wind farm wakes. A clear diurnal cycle in ϵ is found, with daytime convective conditions determining values over an order of magnitude higher than nighttime stable conditions. ϵ also shows a distinct seasonal cycle, with differences greater than an order of magnitude between average ϵ values in summer and winter.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1977

Steady state, exposure age, and growth of agglutinates in lunar soils

Mineralogical evolution of lunar soils as a function of agglutinate content can be described with the help of a two-component model. Steady-state condition of exposed lunar soils can be achieved only by the balance of comminution, agglutination, and replenishment processes. Rate of replenishment depends on the meteoroid flux and the nature of the substrate which varies both in space and time. Rates of agglutination and comminution depend not only on the micrometeoritic flux but also on the chemical and modal composition of an exposed soil. It is concluded from modeling the above that steady-state condition of lunar soils is independent of its maturity or exposure age. Agglutinate content of a lunar soil can be used to estimate the relative exposure age of the soil only if the soil is in a non-steady-state condition.

Basu, A.↗
NASA NTRS1982

Properties of dust in the Martian atmosphere and its effect on temperature structure

Data from the Viking lander imaging experiment and the IRIS experiment on board the Mariner 9 Orbiter are used to develop a one-dimensional radiative-convective model to describe the Mars temperature profile. Photography was employed to determine the optical depth, mean size, shape, visible absorption coefficient, and vertical distribution of aerosols in the Mars atmosphere. The calculation procedures are outlined, particularly for the particle size distribution function, which indicated a cross-sectional average particle radius of 2.5 microns. Dust-free conditions in the atmosphere near the equator and at lower altitudes permit full surface absorption of sunlight and subsequent adiabatic lapse rates. Difficulties were encountered in accurately modeling temperature profiles to fit Viking lander data, and resultant variations are attributed to effects of both suspended dust particles and large scale circulation.

Pollack, J. B.↗
NASA NTRS1982

Characterization of the outgassing of spacecraft materials

Equations which describe material outgassing in spaceflight conditions are integrated over temperatures up to 125 C and with outgassing kinetic energies up to 40 kcal/mole. The outgassing rate is noted to be formulated as an expression of sublimation and evaporation, and can be a function of the materials of the outgassing process. The predicted mass loss rates for various materials are compared with mass loss rates from materials with known activation energies, e.g., silicone and solar panel samples, held at different temperatures and for varying time lengths. The comparisons are made for first order and more complex outgassing kinetics. The technique is concluded to be useful for a quick characterization of candidate materials for spaceflight considerations when contamination is a significant factor.

Scialdone, J. J.↗
NASA NTRS1993

Check valve with poppet dashpot/frictional damping mechanism

An inline check valve for a flow line where the valve element is guided for inline travel forward and rearward of a valve sealing member and is spring biased to a closed sealing condition is presented. One of the guides for the valve element includes a dashpot housing with a bore and plunger member to control the rate of travel of the valve element in either direction, providing a guiding function. The plunger member is arranged with a dashpot ring to frictionally contact the dashpot bore and has an interior tortuous flow path from one side to the other side of the dashpot ring. The dashpot housing is not anchored to the valve body so that the valve can be functional even if the dashpot ring becomes jammed in the dashpot housing.

Morris, Brian G.↗
NASA NTRS1999

Probabilistic Analysis of Aircraft Gas Turbine Disk Life and Reliability

Two series of low cycle fatigue (LCF) test data for two groups of different aircraft gas turbine engine compressor disk geometries were reanalyzed and compared using Weibull statistics. Both groups of disks were manufactured from titanium (Ti-6Al-4V) alloy. A NASA Glenn Research Center developed probabilistic computer code Probable Cause was used to predict disk life and reliability. A material-life factor A was determined for titanium (Ti-6Al-4V) alloy based upon fatigue disk data and successfully applied to predict the life of the disks as a function of speed. A comparison was made with the currently used life prediction method based upon crack growth rate. Applying an endurance limit to the computer code did not significantly affect the predicted lives under engine operating conditions. Failure location prediction correlates with those experimentally observed in the LCF tests. A reasonable correlation was obtained between the predicted disk lives using the Probable Cause code and a modified crack growth method for life prediction. Both methods slightly overpredict life for one disk group and significantly under predict it for the other.

Melis, Matthew E.↗
NASA NTRS2002

Constitutive Relation in Transitional Granular Flows

To study the constitutive behavior of granular materials, the presence of gravity is detrimental. Although empirical relations have been obtained for engineering designs to control granular flows on Earth, it is not known how well these Earthbound relations can be used in another gravity field. Fundamental understanding must be derived to reliably design for granular flows in space exploration. There are two extremes of granular flows of which significant amount of knowledge is available. One deals with a dense and quasi-static situation where the deformation rate nearly vanishes. The other deals with dilute and rapidly fluctuating grain velocities where particle inertia dominates. This project, funded by the NASA Microgravity Fluid Physics Program, aims to study this transitional regime via physical experiments and computer simulations. A conceptual model has been established as described below. There are two natural time scales in a granular flow. One is the travel time between two consecutive collisions and the other is the duration of a collision contact. At a very low shear-rate, the shear-induced particle velocity is low. Hence the travel time between collisions is longer than the contact time between colliding particles. Binary collisions prevail. As the shear-rate increases, the traveling time between collisions reduces and the probability of multiple collisions goes up. These particle groups disperse shortly after and new groups form. When shear-rate is further increased, clusters grow in size due to an increasing chance for free particles to join before groups have the time to disperse. The maximum cluster size may depend on the global concentration and material properties. As the solid concentration approaches zero, the cluster size goes to one particle diameter. The maximum possible cluster size under any condition is the container size, provided that the shear flow is inside a container. The critical shear-rates that dictate the initiation of the multiple contacts, and the size and lifetime of the collision clusters, are functions of the concentration also. A 'regime' theory has been proposed by Babic et al. This theory suggested that both the solid concentration, C, and the non-dimensional shear-rate, B, are important in determining the regimes of the granular constitutive law. Additional information is included in the original extended abstract.

Shen, Hayley H.↗
DOE OSTI2024

Leveraging Triphenylphosphine-Containing Polymers to Explore Design Principles for Protein-Mimetic Catalysts

Complex interactions between noncoordinating residues are significant yet commonly overlooked components of macromolecular catalyst function. While these interactions have been demonstrated to impact binding affinities and catalytic rates in metalloenzymes, the roles of similar structural elements in synthetic polymeric catalysts remain underexplored. Using a model Suzuki–Miyuara cross-coupling reaction, we performed a series of systematic studies to probe the interconnected effects of metal–ligand cross-links, electrostatic interactions, and local rigidity in polymer catalysts. To achieve this, a novel bifunctional triphenylphosphine acrylamide (BisTPPAm) monomer was synthesized and evaluated alongside an analogous monofunctional triphenylphosphine acrylamide (TPPAm). In model copolymer catalysts, increased initial reaction rates were observed for copolymers untethered by Pd complexation (BisTPPAm-containing) compared to Pd-cross-linked catalysts (TPPAm-containing). Further, incorporating local rigidity through secondary structure-like and electrostatic interactions revealed nonmonotonic relationships between composition and the reaction rate, demonstrating the potential for tunable behavior through secondary-sphere interactions. Lastly, through rigorous cheminformatics featurization strategies and statistical modeling, we quantitated relationships between chemical descriptors of the substrate and reaction conditions on catalytic performance. Collectively, these results provide insights into relationships among the composition, structure, and function of protein-mimetic catalytic copolymers.

Catalysts↗
NASA NTRS1997

Kinetics and Mechanism of the Reaction of Hydoxyl Radicals with Acetonitrile under Atmospheric Conditions

The pulsed laser photolysis-pulsed laser induced fluorescence technique has been employed to determine absolute rate coefficients for the reaction OH + CH3CN (1) and its isotopic variants, OH + CD3CN (2), OD + CH3CN (3), and OD + CD3CN (4). Reactions 1 and 2 were studied as a function of pressure and temperature in N2, N2/O2, and He buffer gases. In the absence of O2 all four reactions displayed well-behaved kinetics with exponential OH decays and pseudo-first rate constants which were proportional to substrate concentration. Data obtained in N2 over the range 50-700 Torr at 298 K are consistent with k(sub 1), showing a small pressure dependence. The Arrhenius expression obtained by averaging data at all pressures in k(sub 1)(T) = (1.1(sup +0.5)/(sub -0.3)) x 10(exp -12) exp[(-1130 +/- 90)/T] cu cm /(molecule s). The kinetics of reaction 2 are found to be pressure dependent with k(sub 2) (298 K) increasing from (1.21 +/- 0.12) x 10(exp -14) to (2.16 +/- 0.11) x 10(exp -14) cm(exp 3)/ (molecule s) over the pressure range 50-700 Torr of N2 at 298 K. Data at pressures greater than 600 Torr give k(sub 2)(T) = (9.4((sup +13.4)(sub -5.0))) x 10(exp -13) exp[(-1180 +/- 250)/T] cu cm/(molecule s). The rates of reactions 3 and 4 are found to be independent of pressure over the range 50-700 Torr of N2 with 298 K rate coefficient given by k(sub 3) =(3.18 +/- 0.40) x 10(exp -14) cu cm/(molecule s) and k(sub 4) = (2.25 +/-0.28) x 10(exp -14) cu cm/(molecule s). In the presence of O2 each reaction shows complex (non-pseudo-first-order) kinetic behavior and/or an apparent decrease in the observed rate constant with increasing [O2], indicating the presence of significant OH or OD regeneration. Observation of regeneration of OH in (2) and OD in (3) is indicative of a reaction channel which proceeds via addition followed by reaction of the adduct, or one of its decomposition products, with O2. The observed OH and OD decay profiles have been modeled by using a simple mechanistic scheme to extract kinetic information about the adduct reations with O2 and branching ratios for OH regeneration. A plausible mechanism for OH regeneration in (2) involves OH addition to the nitrogen atom followed by O2 addition to the cyano carbon atom, isomeriazation and decomposition to D2CO + DOCN + OH. Our results suggest that the OH + CH3CN reaction occurs via a complex mechanism involving both bimolecular and termolecular pathways, analogous to the mechanisms for the the important atmospheric reactions of OH with CO and HNO3.

Hynes, A. J.↗
NASA NTRSDate not supplied

Static and Forced Oscillation Wind Tunnel Tests of A Tandem Propeller Configuration

A series of static and forced oscillation tests were conducted using a tandem propeller configuration in the NASA Langley 12-Foot Low-Speed Tunnel. The primary objectives were to quantify the effect of aerodynamic interactions on propeller thrust and identify conditions where the effect is most significant. A secondary objective was to obtain a preliminary data set from dynamic testing to assess the impact of angular rate on thrust performance. This paper presents analysis of the experimental data, which includes propeller performance measurements and qualitative flow visualization. The static results show that the rear propeller in the tandem configuration can experience thrust degradations greater than 30%. The extent of the wake interaction is a function of the hub separation distance and the advance ratio of the front propeller. Forced oscillation results showed that the front propeller exhibited primarily linear behavior across the conditions tested, whereas the rear propeller exhibited dynamic nonlinearity in the region of significant thrust degradation. These results are intended to support high-fidelity modeling research, particularly for flight dynamics simulation development to aid trajectory prediction, control design, and identification of hazardous conditions for multirotor vehicles.

Aerodynamic Interactions↗
DOE OSTI2019

Electro-Oxidation of Methane on Platinum under Ambient Conditions

Herein, we investigate the electrochemical conversion of methane to CO 2 on platinum electrodes under ambient conditions. Through a combination of experimentation, density functional theory (DFT) calculations, and ab initio kinetic modeling, we have developed an improved understanding of the reaction mechanism and the factors that determine catalyst activity. We hypothesized that the rate-determining methane activation step is thermochemical (i.e., CH 4 (g) → CH 3 * + H * ) as opposed to electrochemical based on a fitted barrier of approximately 0.96 eV that possesses minimal potential dependence. We developed a simple kinetic model based on the assumption of thermochemical methane activation as the rate-determining step, and the results match well with experimental data. Namely, the magnitude of the maximum current density and the electrode potential at which it is realized agree with our ab initio kinetic model. Finally, we expanded our kinetic model to include other transition metals via a descriptor-based analysis and found platinum to be the most active catalyst for the oxidation of methane, which is in line with previously published experimental observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Cosmogenic Isotopes Unravel the Hydrochronology and Water Storage Dynamics of the Southern Sierra Critical Zone

One of the principal questions in hydrology is how and when water leaves the critical zone storage as either stream flow or evapotranspiration. We report on subsurface water storage and storage selection of the Southern Sierra Critical Zone Observatory (California, USA) within the age-ranked storage selection framework, constrained by a novel combination of cosmogenic radioactive and stable isotopes: tritium, sodium-22, sulfur-35, and oxygen-18. We found a significant positive correlation between tritium and stream flow rate and between sulfur-35 and stream flow rate, indicating that the age distribution of stream flow varies with stream flow rate. Storage selection functions that vary with stream flow rate are better able to reproduce tritium concentrations in stream flow than functions that are constant in time. For the Southern Sierra Critical Zone, there is a strong preference to discharge the oldest water in storage during dry conditions but only a weak preference for younger water during wet conditions. The preference of evapotranspiration for younger water, constrained by oxygen-18 in stream water, is essential to parameterize subsurface storage but needs to be confirmed by isotopic or other investigations of evapotranspiration. This is the first study to highlight how a combination of cosmogenic radioactive isotopes reveals the hydrochronology and water storage dynamics of catchments, constrains the subsurface architecture of the critical zone, and provides insight into landscape evolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Statistical Uncertainty of Inhalation Dose Coefficients: Impact of Particle Deposition in ICRP 66 Human Respiratory Tract Model

Inhaled radioactive materials can pose a long-term health concern, as the material can be incorporated into the body’s metabolic pathways and remain in organs and tissues for extended durations. During the retention period, the radioactive material may localize in a source organ and irradiate adjacent target organs and tissues. Distribution of these materials changes over time, requiring biokinetic modeling to evaluate their movement through various tissues and organs. The evolving distribution depends on multiple inputs characterizing the inhaled material, such as particle size and size distribution, particle density, aspect ratio, specific radionuclide, the chemical form, and solubility. In addition, biological parameters such as breathing rate, breathing type (nasal or nasal/oral), respiratory system morphometry, tidal volume, functional residual capacity, and anatomical dead space all influence material transport. These aerosol properties and physiological characteristics of the respiratory tract jointly define a range of initial conditions that influence the time-dependent distribution of radioactive material. To evaluate both uncertainty in the initial conditions of inhalation exposure and the final output (committed effective dose) from biokinetic models, a Python-based software tool, Radiological Exposure Dose Calculator (REDCAL), was developed to propagate uncertainty within the human respiratory tract model. Focusing on deposition fraction uncertainty, the primary objective was to characterize the initial activity distribution across respiratory regions as a function of anticipated particle sizes and distributions. The impact of the deposition fraction uncertainty was propagated to committed effective dose coefficients for selected radionuclides in a companion publication. For each particle size, a lognormal distribution, characterized by its geometric mean as defined within ICRP Publication 66, serves as the basis for introducing uncertainty into the physical processes governing deposition in various lung regions. Finally, this study addresses the deposition process and examines how uncertainty in deposition mechanisms affects activity distribution in the airways, ultimately presenting the expected range and standard deviation of deposited activity as a function of particle size.

International Commission on Radiological Protectio↗
DOE OSTI2015

One-dimensional cold cap model for melters with bubblers

The rate of glass production during vitrification in an all-electrical melter greatly impacts the cost and schedule of nuclear waste treatment and immobilization. The feed is charged to the melter on the top of the molten glass, where it forms a layer of reacting and melting material, called the cold cap. During the final stages of the batch-to-glass conversion process, gases evolved from reactions produce primary foam, the growth and collapse of which controls the glass production rate. The mathematical model of the cold cap was revised to include functional representation of primary foam behavior and to account for the dry cold cap surface. The melting rate is computed as a response to the dependence of the primary foam collapse temperature on the heating rate and melter operating conditions, including the effect of bubbling on the cold cap bottom and top surface temperatures. The simulation results are in good agreement with experimental data from laboratory-scale and pilot-scale melter studies. Lastly, the cold cap model will become part of the full three-dimensional mathematical model of the waste glass melter.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Fiber optic system for direct detection of CO 2 leakage in carbon storage wells (Abbreviated Final Report)

The feasibility study focused on the development of new fiber for distributed chemical sensing that will allow direct detection of CO2 leakages in the environment. This is particularly important for monitoring well integrity for carbon capture and storage (CSS), which can provide early warning for an incoming well failure and potential CO2 leaking through it. We proposed Raman or IR interrogation within gas-filled Holey Fibers (HoFs) interleaved with Fiber Bragg Grating (FBG) sections, so that the location and concentration of the gases would be provided simultaneously. The methodology would overcome current roadblocks to using fiber optics for CO2 (and other gases) detection in wells with direct in-situ measurements of concentration along with other important parameters such as temperature and pressure. We were able to assess commercially available IR/Raman hollow core fiber and demonstrated detection of CO2 through them in our controlled environment setups at various pressure conditions. We have also established the ability of drilling precisely with fs-lases side holes to enable penetration of CO2 into the hollow core fiber and reduce diffusion rates. Open joint collars were also explored with double functionality: to obtain splice to solid core fiber critical for field deployment and create gas ingress locations. Both diffusion-only and pressurized fiber system have been constructed following COMSOL based semi-hybrid optical /fluidodynamics models. FBGs have been identified and procured and characterized. Along the work we leveraged internal modeling/design, photonics/laser characterization, optical fiber fabrication, and AM lab capabilities to design, develop and test in-house components or assemblies. Our results indicate the potential of HoF for CO2 downhole direct detection.

25 ENERGY STORAGE↗