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Results for “isotherm modeling”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Computer Modeling of Non-Isothermal Crystallization

A realistic computer model for simulating isothermal and non-isothermal phase transformations proceeding by homogeneous and heterogeneous nucleation and interface-limited growth is presented. A new treatment for particle size effects on the crystallization kinetics is developed and is incorporated into the numerical model. Time-dependent nucleation rates, size-dependent growth rates, and surface crystallization are also included. Model predictions are compared with experimental measurements of DSC/DTA peak parameters for the crystallization of lithium disilicate glass as a function of particle size, Pt doping levels, and water content. The quantitative agreement that is demonstrated indicates that the numerical model can be used to extract key kinetic data from easily obtained calorimetric data. The model can also be used to probe nucleation and growth behavior in regimes that are otherwise inaccessible. Based on a fit to data, an earlier prediction that the time-dependent nucleation rate in a DSC/DTA scan can rise above the steady-state value at a temperature higher than the peak in the steady-state rate is demonstrated.

Kelton, K. F.↗
DOE OSTI2022

Probing the initial stages of iron surface corrosion: Effect of O 2 and H 2 O on surface carbonation

Iron plays a vital role in natural processes such as water, mineral, iron, and nutrient cycles. Iron undergoes reduction-oxidation and catalytic reactions to produce various corrosion films depending on its chemical environment. Near ambient pressure X-ray photoelectron spectroscopy, polarized modulated infrared reflection absorption spectroscopy, and Auger electron spectroscopy were used to study the key reactants, from O 2 (g), H 2 O vapor, Na + and Cl – on the initial stages of iron surface corrosion. Here, with increasing the ratio of O 2 and H 2 O, surface hydrocarbons were shown to oxidize into carbonates, while the Cl – was found to migrate into the interface. The effect of each individual reactant was measured separately and water was shown to have a first order rate dependence on the carbonate growth at low pressures, with little dependence for O 2 . Near ambient pressures, both H 2 O and O 2 were found to increase the carbonate growth, which was estimated using the Langmuir isotherm model, yielding Gibbs energies between –9.8 to –8.5 kJ/mol. A mechanism is suggested to explain the oxidation is catalyzed by NaCl on iron surfaces and the adventitious hydrocarbons served as the source for surface carbonation. These findings have implications for understanding other surface catalytic and redox interface chemistry in complex environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Multi-stage preconditioners for thermal–compositional–reactive flow in porous media

We present a family of multi-stage preconditioners for coupled thermal-compositional-reactive reservoir simulation problems. The most common preconditioner used in industrial practice, the Constrained Pressure Residual (CPR) method, was designed for isothermal models and does not offer a specific strategy for the energy equation. For thermal simulations, inadequate treatment of the temperature unknown can cause severe conver-gence degradation. When strong thermal diffusion is present, the energy equation exhibits significant elliptic behavior that cannot be accurately corrected by CPR's second stage. In this work, we use Schur-complement decompositions to extract a temperature subsystem and apply an Algebraic MultiGrid (AMG) approximation as an additional preconditioning stage to improve the treatment of the energy equation. We present results for several two-dimensional hot air injection problems using an extra heavy oil, including challenging reactive In-Situ Combustion (ISC) cases. We show improved performance and robustness across different thermal regimes, from advection dominated (high Péclet number) to diffusion dominated (low Péclet number). The number of linear iterations is reduced by 40–85% compared to standard CPR for both homogeneous and heterogeneous media, and the new methods exhibit almost no sensitivity to the thermal regime.

42 ENGINEERING↗
DOE OSTI2023

Ultra-low concentration terbium (Tb) adsorption on garlic peels biosorbent and its application for $\mathrm{Nd}$-$\mathrm{Fe}$-$\mathrm{B}$ scraps recovery

Motivated by the strategic value of middle-heavy rare earth elements (MHREEs), we proposed a bio-adsorption method to recover ultra-low concentration terbium (Tb(Ⅲ)) from industrial wastewater that originated from the Nd-Fe-B scraps recovery process. It could be found that Tb(Ⅲ) ions as low as 5.34 ng·mL -1 (ppb) could be adsorbed onto Ca(Ⅱ)-modified garlic peels (Ca-GP) within 10 min with the adsorption efficiency of 99.2% at pH 3.5. The adsorption behavior of Tb(Ⅲ) onto Ca-GP conformed the Langmuir isotherm model and pseudo-second-order kinetic model. Attenuated total reflection Fourier Transform Infrared Spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS) and density-functional theory (DFT) calculations results showed that Tb(Ⅲ) ions could be ion-exchanged with cations in Ca-GP such as Ca(Ⅱ) and -COOH. In application, column experiment results showed that the maximum bed adsorption capacity for Tb, praseodymium (Pr), neodymium (Nd), dysprosium (Dy), and Total rare earth elements (REEs) ions calculated by the Thomas model was 0.06, 3.50, 9.65, 7.34, and 27.37 µg·g -1 , respectively, with the initial concentration of 0.37 ng·mL -1 Tb, 20 ng·mL -1 Pr, 44 ng·mL -1 Nd, 67 ng·mL -1 Dy and 170 ng·mL -1 total REEs ions of actual solutions (below the solubility of rare-earth hydroxide). Here this manuscript thus provided a novel cost-effective and efficient approach to the enrichment and recovery of MHREEs from ultra-low concentration REEs ions-containing solutions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Production of polyacrylonitrile/ionic covalent organic framework hybrid nanofibers for effective removal of chromium(VI) from water

Hexavalent Cr(VI) found in industrial wastewater is a proven carcinogen which causes serious health issues in humans around the world. This study presents a novel method to enhance the Cr(VI) oxyanion removal from wastewater by polyacrylonitrile (PAN) nanofibers through incorporation of a guanidinium-based ionic covalent organic framework (BT-DG) in the nanofibers structure. In this work, simple electrospinning technique was employed to produce PAN nanofibers and BT-DG was synthesized through condensation between benzene-1,3,5-tricarbaldehyde and N,N'-diaminoguanidine monohydrochloride. In-situ polymerization of BT-DG onto PAN nanofibers resulted in generation of hybrid PAN-BT-DG nanofibers. This modified PAN-BT-DG was characterized by obtaining its point of zero charge (PZC), differential scanning calorimeter (DSC), scanning electron microscopy (SEM) morphology and surface elements and oxidation states by X-ray photoelectron spectroscopy (XPS). PAN-BT-DG exhibited positive surface charge below pH 4, making it an outstanding adsorbent, for Cr(VI) removal. Cr(VI) adsorption onto PAN-BT-DG followed pseudo second order kinetics and adsorption data fitted well to Freundlich isotherm model. Highest Cr(VI) removal was obtained at 55 °C with a maximum Langmuir adsorption capacity of 173 mg/g at pH 3. Kinetic studies revealed that Cr(VI) adsorption onto PAN-BT-DG is endothermic and thermodynamically feasible. Desorption studies were conducted on PAN-BT-DG using 1 M NaOH as the stripping solvent and PAN-BT-DG exhibited excellent regeneration after five consecutive cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Arsenic stabilization performance of a novel starch-modified Fe-Mn binary oxide colloid

Arsenic (As) is an environmentally hazardous contaminant and can be a serious threat to human health. In China, remediation needs for a large number of As-contaminated sites renders a strong demand for efficient remedial reagents and cost effective approaches. In this study, a novel starch-modified Fe-Mn binary oxide (SFM), an amorphous colloidal material, has been synthesized as a remedial reagent and its As stabilization performance has been evaluated. A set of laboratory batch experiments were carried out by directly adding SFM of different dosages into three contaminated soils. Results demonstrated that SFM could transform As in soil from non-specifically and specifically sorbed fractions to the more stable form bounded to amorphous iron hydrous oxides, thus reducing the As concentration in TCLP leachates by 42.0-93.2%. Results from adsorption tests and microscopic analysis indicated that the interactions between SFM and As are mainly controlled by adsorption, oxidation, and precipitation processes. SFM has abundant surface hydroxyl groups, with excellent adsorption properties for both As(V) and As(III), with the maximum adsorption capacities of 160.63 and 284.64 mg/g respectively at pH 7.0. The adsorption process closely fitted pseudo second-order kinetics and Freundlich isotherm model. SFM could increase soil Eh and oxidize As(III) to As(V), which facilitated the As stabilization in soilColloidal iron-based material directly used for stabilization in As contaminated soils is reported here for the first time. Starch modification improves both the reactivity and mobility of SFM in soil. Our findings propose an efficient and convenient reagent for As remediation in soil.

Yan, Xiulan↗
DOE OSTI2020

An uranyl sorption study inside functionalised nanopores

Sorption mechanism of uranyl by poly(bis[2-(methacryloyloxy)ethyl] phosphate) (PB2MP) functionalised polyvinylidene fluoride (PVDF) track-etched membranes, PB2MP-g-PVDF, was investigated. It was found that uranyl sorption obeyed Langmuir isotherm model giving a maximum U(VI) membrane uptake of 6.73 μmol g -1 and an affinity constant of 9.85 10 6 L mol -1 . XPS and TRPL measurements were performed to identify sorbed uranyl oxidation state and its environment. Uranyl was found to be mainly in its hexavalent state, i.e. U(VI), showing that the trapping inside the PB2MPg-PVDF nanoporous membranes did not change the ion speciation. Two sorbed uranyl life-times ($τ_1$ = 8.8 μs and $τ_2$ = 102.8 μs) were measured by TRPL which pointed out different complexations taking place inside the nanopores. Uranyl sorption by PB2MP-g-PVDF membranes was also found to be pH dependent demonstrating the highest performance at circumneutral pH. In addition, TRPL was demonstrated to be not only a remarkable technique for U(VI) characterization, but also an alternative to voltammetry detection for trace on-site uranyl monitoring using PB2MP-g-PVDF nanoporous membranes

36 MATERIALS SCIENCE↗
DOE OSTI2025

Adsorptive behavior of poly (vinylidene fluoride) membranes for the recovery of lignin-derived hydrophobic deep eutectic solvents

Abstract Recently, membrane technology has gained significant traction as an energy-efficient alternative to traditional thermal processes for solvent recovery. Deep eutectic solvents (DESs) have emerged as sustainable alternatives to conventional organic solvents, yet a systematic methodology for selecting compatible membrane materials for their recovery remains underdeveloped. This study established a predictive framework for membrane material selection in hydrophobic DES applications using Hansen Solubility Parameters (HSP) with inverted criteria targeting materials with relative energy difference (RED) values greater than 1.0. Flat sheet membranes were fabricated via the non-solvent induced phase separation (NIPS) technique. Four NIPS fabricated polymer membranes were evaluated: polysulfone, cellulose acetate, polyvinylidene fluoride (PVDF) fabricated with polyethylene glycol (PEG) as a pore-forming agent, and polybenzimidazole (PBI). The HSP approach successfully predicted membrane-solvent compatibility, with polysulfone (RED = 0.6) and cellulose acetate (RED = 0.9) dissolving completely within 24 h, while PVDF (RED = 1.9) and PBI (RED = 1.1) maintained structural integrity throughout a 7-day exposure period. Furthermore, PVDF demonstrated superior performance with minimal weight gain (3.0%), hydrophobic surface characteristics (122° water contact angle), and enhanced mechanical properties following DES exposure. Comprehensive chemical and morphological characterization confirmed PVDF’s chemical stability and revealed a surface-selective interaction mechanism involving simultaneous PEG (pore-forming agent) extraction and DES component adsorption. Adsorption kinetics followed pseudo-first-order behavior with reversible characteristics, best described by the Temkin isotherm model (R² = 0.9987). PVDF membranes-maintained separation functionality with average lignin rejection (75.2 ± 7.69%) and demonstrated filtration permeability of 2.0 ± 0.34 LMH/bar. This methodology provides a rational approach for membrane selection in emerging solvent systems, contributing to the advancement of sustainable separation technologies for DES-based biomass processing applications.

Science & Technology - Other Topics↗
NASA NTRS1973

X-ray observations of the supernova remnants Cas A and Tycho

A rocket-borne multilayer multianode proportional counter observation of Cas A and Tycho supernovae remnants shows no evidence for periodic emissions in the period range from 1 millisecond to 13 seconds. Comparison of inferred incident photon spectra and electromagnetic flux intensity as a function of energy rules out simple synchrotron or isothermal models for both Cas A and Tycho. It is concluded that there must still be a contemporary source of energy in the source region to connect the radio and X-ray emission from these remnants.

Brisken, A. F.↗
NASA NTRS1976

Nonhomologous contraction and equilibria of self-gravitating, magnetic interstellar clouds embedded in an intercloud medium: Star formation. II - Results

The paper studies the equilibrium of self-gravitating isothermal models of interstellar clouds with a frozen-in magnetic field linked smoothly to the field of a hot tenuous intercloud medium. Equilibrium states are determined which can be reached by clouds contracting nonhomologously from a spherical uniform initial state. Three free parameters characterize the problem: a dimensionless initial radius related to the Jeans length of the cloud, the initial ratio of the magnetic and gas pressures in the cloud, and the initial ratio of the intercloud and cloud pressures. The dependence of the solutions on each of these parameters is investigated. It is found that: (1) the frozen-in field causes the cloud to become oblate with its major axis normal to the field lines; (2) the flattening increases as the magnetic-field strength, gravitational forces, or intercloud pressure increases; (3) increasing intercloud pressure eventually leads to gravitational collapse; and (4) the cloud can reach equilibrium only if its radius does not exceed some critical value. The observed inefficiency of the star-formation process within massive clouds is examined and explained in terms of magnetic phenomena in a collapsing cloud.

Mouschovias, T. C.↗
NASA NTRS1976

Coronal temperatures and temperature gradients from OSO-7 spectroheliograms

Temperatures and temperature gradients for the outer corona are obtained from brightness gradients of EUV lines that were measured with the spectroheliograph on OSO-7. Brightness gradients show considerable deviations from isothermal model calculations that include collisional excitation and photoexcitation. A negative temperature gradient that gives both positive and negative ion-abundance gradients appears to be able to account for the discrepancy. For the 284-A of Fe XV, perhaps the strongest line from the outer corona, measurements during 1972 appear to be consistent with a temperature near 2.3 million K near the equator at about 1.3 solar radii from the solar center and with temperature-gradient values near -0.7 that extend from as low as 1.2 to about 1.8 solar radii. Temperatures from strong lines of Fe XIV and Fe XVI indicate that variations of about 200,000 K exist along lines of sight where emission is appreciable. There appears to be some agreement between these results and temperature measurements from ion abundances in the solar wind and the Doppler width of the 5303-A line.

Nakada, M. P.↗
NASA NTRS1977

Measurements of H-beta, He D3, and Ca/+/ 8542-A line emission in quiescent prominences

Measurements of H-beta, He D3, and Ca(+) 8542-A line emission in 18 quiescent prominences are presented which were performed with a 25-cm coronagraph/coude spectrograph system and an optical multichannel analyzer utilizing a Si-vidicon detector assembly mounted at the single-pass spectrograph port. The data obtained show that the line profiles deviate in the wings from those calculated on the basis of an isothermal atmosphere and a Gaussian absorption coefficient. Both a non-Gaussian microturbulence component and a temperature gradient from prominence-core to coronal values can successfully account for this phenomenon. The line widths from a given line of sight of prominence material are reduced on the basis of a common core emitting region with a temperature of 7500 to 11,600 K and a microturbulent velocity of 4.5 to 7.1 km/s for the isothermal model (these values are 5% to 10% less for the two-temperature model). It is noted that long-period low-amplitude oscillations in the D3 line width and intensity were observed when a specific line of sight in a quiescent prominence was followed. These oscillations are found to remain coherent for as many as 3 or 4 cycles and to be associated with prominence structural activation.

Landman, D. A.↗
NASA NTRS1979

HEAO-A2 observations of the X-ray spectra of the Centaurus and A1060 clusters of galaxies

The X-ray spectral observations of two low luminosity clusters of galaxies, Centaurus and A1060, are presented. An emission feature of the Centaurus cluster at 7.9 keV is detected at about one third of the strength of the 6.7 keV line. This higher energy line represents K sub beta emission from highly ionized iron. An isothermal model with an Fe emission line is discussed and it is shown that the model cannot fit the data of the Centaurus or the A1060 clusters. The implications of the two component nature of the continuum on the Fe abundance and the X-ray surface brightness distribution are discussed.

Mitchell, R.↗
NASA NTRS1978

X-ray analysis of a polar plume

Polar plumes have been detected in X-rays with the Skylab S-054 experiment. Observations of one well-observed plume are analyzed and the plasma pressure is determined. An isothermal model in hydrostatic equilibrium is found to require unacceptably low temperatures. A hydrodynamic model is proposed which is consistent with earlier white light and EUV observations. Calculations indicate that the total outward mass flux in polar plumes is comparable to that in high speed solar wind streams expected from a polar coronal hole.

Ahmad, I. A.↗
NASA NTRS1980

HEAO A-2 observations of the X-ray spectra of the Centaurus and A1060 clusters of galaxies

X-ray spectral observations of two nearby low-luminosity clusters of galaxies are presented. For the Centaurus cluster an emission feature at 7.9 keV is detected at about one-third of the strength of the 6.7 keV line. This higher energy line represents K-beta emission from highly ionized iron. In addition, it is demonstrated that for neither the Centaurus nor the A1060 cluster can an isothermal model with an Fe emission line adequately fit the data. Instead, the simplest models which provide acceptable fits include a second, harder component which may be either a second exponential or a power law. The implications of the two-component nature of the continuum on the Fe abundance and the X-ray surface-brightness distribution are discussed.

Mitchell, R.↗
NASA NTRS1981

Shock waves, atmospheric structure and mass loss in Miras

Large amplitude shock waves are observed to be present in the atmospheres of the Mira variables: spectral line doubling with Delta v 30 km/s is present in infrared spectra. Even the visible spectra contain some evidence for such shocks. These shocks are sufficiently large to clearly dominate the energy balance of the atmosphere. Mira variables also show symptoms of substantial mass loss rates: they are strong maser and infrared continuum sources and have strong circumstellar absorption features. The pulsation induced shocks which are seen to be present are obvious suspects for causing or enhancing the mass loss from these stars. The Miras thus present an ideal case for the study of dynamical effects on atmospheric structure, since both the dynamics and the results are clearly observable. The results are given of calculations of the thermalization and cooling of the shock heated material passing through shock fronts whose properties were selected to be consistent with both the isothermal models and the spectroscopic observations.

Willson, L. A.↗
NASA NTRS1993

Ginga observations of the Coma cluster and studies of the spatial distribution of iron

The large area counters on the Japanese satellite Ginga have been used to determine the X-ray spectrum from the central region of the Coma cluster of galaxies over the energy range from 1.5 to 20 keV. The spectrum is well represented by an isothermal model of temperature 8.21 +/- 0.16 keV and a heavy element (iron) abundance of 0.212 +/- 0.027, relative to the cosmic value. The Ginga spectrum was found to be consistent with the X-ray spectra from the Tenma and EXOSAT satellites for a large class of nonisothermal temperature distributions. The measured iron elemental abundances were used to set a lower limit on the total mass of iron in Coma under the assumption that the iron is not distributed uniformly throughout the cluster. The mass ratio of iron relative to hydrogen (within 2 Mpc) is not less than 18 percent of the cosmic iron to hydrogen mass ratio. This compares to an average abundance of 24 percent if the iron is distributed uniformly. We discuss these results in terms of models for the production of iron in galaxy clusters.

Hughes, John P.↗
NASA NTRS1995

ASCA solid state imaging spectrometer observations of O stars

We report ASCA Solid State Imaging Spectrometer (SIS) x-ray observations of the O stars delta Ori and lambda Ori. The energy resolution of the SIS allows us to resolve features in the O star x-ray spectra which are not apparent in spectra obtained by x-ray spectrometers with lower energy resolution. SIS spectra from both stars show evidence of line emission, suggesting the thermal nature of the x-ray source. However, the observed line strengths are different for the two stars. The observed stellar x-ray spectra are not well described by isothermal models although absorbed thermal emission models with two or more temperatures can provide an adequate fit to the data. For both stars we present evidence of absorbing columns significantly larger than the known ISM columns, indicative of absorption by a circumstellar medium, presumably the stellar winds. In addition, the lambda Ori spectrum shows the presence of emission at energies greater than 3 keV which is not seen in the delta Ori spectrum.

Corcoran, M. F.↗