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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Experimental measurements of soot formation in fuel-rich homogeneous mixtures using an optical rapid compression machine

Advanced combustion strategies are necessary for the use of more environmentally sustainable fuels than traditional diesel. Alcohol fuels and alcohol/gasoline blends are of particular interest as they are readily available in the marketplace. Heavy-duty engines typically use compression ignited, conventional diesel mixing controlled combustion. Mixing controlled combustion features a non-premixed diffusion flame with a wide range of local equivalence ratios, leading to potentially high rates of soot formation. This work studies the sooting behavior of iso-octane and ethanol as a function of equivalence ratio. Measurements are carried out in a rapid compression machine (RCM) and are reported for pre-ignition conditions of 10–30 bar and temperatures of 650–800 K. Theoretical equilibrium and bulk gas temperatures are calculated for both fuels. These data are used to identify the critical equivalence ratio, the lowest equivalence ratio where soot is detected with a single-pass laser extinction diagnostic. The critical equivalence ratio for iso-octane varies between 1.82 and 1.77 for compressed pressures of 10 and 20 bar, respectively. Ethanol, sometimes considered sootless, had a critical equivalence ratio between 2.37 and 2.12 for compressed pressures of 20 and 30 bar, respectively. When characterizing soot formation by oxygenated equivalence ratio, the critical equivalence ratios for ethanol approach those of iso-octane. This suggests the oxygenated nature of alcohol fuels reduces sooting tendency, but other factors such as fuel molecular structure and morphology may play a role. It was observed that ethanol will form soot at equivalence ratios only slightly higher than iso-octane, which could have implications in mixing controlled combustion. It was seen for both fuels that soot formation is pressure sensitive, with the critical equivalence ratio being inversely proportional to compressed pressure and the rate of soot formation. Future work will investigate the sooting behavior of gasoline/ethanol blends.

02 PETROLEUM↗
DOE OSTI2016

Kinetic phase evolution of spinel cobalt oxide during lithiation

Spinel cobalt oxide has been proposed to undergo a multiple-step reaction during the electrochemical lithiation process. Understanding the kinetics of the lithiation process in this compound is crucial to optimize its performance and cyclability. In this work, we have utilized a low-angle annular dark-field scanning transmission electron microscopy method to visualize the dynamic reaction process in real time and study the reaction kinetics at different rates. We show that the particles undergo a two-step reaction at the single-particle level, which includes an initial intercalation reaction followed by a conversion reaction. At low rates, the conversion reaction starts after the intercalation reaction has fully finished, consistent with the prediction of density functional theoretical calculations. At high rates, the intercalation reaction is overwhelmed by the subsequently nucleated conversion reaction, and the reaction speeds of both the intercalation and conversion reactions are increased. Phase-field simulations show the crucial role of surface diffusion rates of lithium ions in controlling this process. Furthermore, this work provides microscopic insights into the reaction dynamics in non-equilibrium conditions and highlights the effect of lithium diffusion rates on the overall reaction homogeneity as well as the performance.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1990

Limiting concentrations of activated mononucleotides necessary for poly(C)-directed elongation of oligoguanylates

Selected imidazolide-activated nucleotides have been subjected to hydrolysis under conditions similar to those that favor their template-directed oligomerization. Rate constants of hydrolysis of the P-N bond in guanosine 5'-monophosphate 2-methylimidazolide (2-MeImpG) and in guanosine 5'-monophosphate imidazolide (ImpG), kh, have been determined in the presence/absence of magnesium ion as a function of temperature and polycytidylate [poly(C)] concentration. Using the rate constant of hydrolysis of 2-MeImpG and the rate constant of elongation, i.e., the reaction of an oligoguanylate with 2-MeImpG in the presence of poly(C) acting as template, the limiting concentration of 2-MeImpG necessary for oligonucleotide elongation to compete with hydrolysis can be calculated. The limiting concentration is defined as the initial concentration of monomer that results in its equal consumption by hydrolysis and by elongation. These limiting concentrations of 2-MeImpG are found to be 1.7 mM at 37 degrees C and 0.36 mM at 1 degrees C. Boundary conditions in the form of limiting concentration of activated nucleotide may be used to evaluate a prebiotic model for chemical synthesis of biopolymers. For instance, the limiting concentration of monomer can be used as a basis of comparison among catalytic, but nonenzymatic, RNA-type systems. We also determined the rate constant of dimerization of 2-MeImpG, k2 = 0.45 +/- 0.06 M-1 h-1 in the absence of poly(C), and 0.45 +/- 0.06 less than or equal to k2 less than or equal to 0.97 +/- 0.13 M-1 h-1 in its presence at 37 degrees C and pH 7.95.(ABSTRACT TRUNCATED AT 250 WORDS).

NASA Discipline Number 52-20↗
DOE OSTI2024

Feasibility study for test rig assessments of fish passage conditions in a Kaplan turbine

The assessment of fish passage conditions in hydroelectric turbines consists of identifying and quantifying physical magnitudes leading to increased risks of injury of fish passing through turbines in operation. Such assessments are usually carried out either with the use of computer-based methods during design or with field testing of live fish and sensors passing through prototypes. A method in between consists of test rig experimentation, which is critical for testing fish-focused design concepts and offers the opportunity for implementing the most effective design measures for improved fish survivability. However, fish-related assessments in test rigs are not sufficiently documented for industrial applications. This work presents the main findings of an experimental campaign to quantify fish-related hydraulic magnitudes in a physical model of a Kaplan turbine in a commercial test rig. Two operating conditions were tested by releasing miniaturized autonomous sensor devices (termed Sensor Fish Mini) at the turbine intake flow, passing them through the runner in motion and recovering them at the draft tube exit. During passage, time series of acceleration, absolute pressure and rotational velocity were recorded. The recordings were then interpreted to determine the magnitude and likely location of hydraulic stressors hazardous to fish. The statistical tests on the reported measurements indicated that low pressure, collisions on the runner and rotations in the draft tube were not different between the two tested operating points. On the other hand, pressure drop and collision rates on the distributor differed considerably as a function of net head. The outcomes of this investigation showed that test rig evaluations of fish-related properties with Sensor Fish Mini can contribute to an evidence-based development of turbine geometries designed for providing safer passage conditions. Future work will investigate the scaling of test rig measurements to hydraulically equivalent magnitudes in the prototype and their biological consequences.

13 HYDRO ENERGY↗
DOE OSTI2016

Growth on ATP elicits a P-stress response in the picoeukaryote Micromonas pusilla

The surface waters of oligotrophic oceans have chronically low phosphate (P i ) concentrations, which renders dissolved organic phosphorus (DOP) an important nutrient source. In the subtropical North Atlantic, cyanobacteria are often numerically dominant, but picoeukaryotes can dominate autotrophic biomass and productivity making them important contributors to the ocean carbon cycle. Despite their importance, little is known regarding the metabolic response of picoeukaryotes to changes in phosphorus (P) source and availability. To understand the molecular mechanisms that regulate P utilization in oligotrophic environments, we evaluated transcriptomes of the picoeukaryote Micromonas pusilla grown under P i -replete and -deficient conditions, with an additional investigation of growth on DOP in replete conditions. Genes that function in sulfolipid substitution and P i uptake increased in expression with P i -deficiency, suggesting cells were reallocating cellular P and increasing P acquisition capabilities. P i -deficient M. pusilla cells also increased alkaline phosphatase activity and reduced their cellular P content. Cells grown with DOP were able to maintain relatively high growth rates, however the transcriptomic response was more similar to the P i -deficient response than that seen in cells grown under P i -replete conditions. The results demonstrate that not all P sources are the same for growth; while M. pusilla , a model picoeukaryote, may grow well on DOP, the metabolic demand is greater than growth on P i . Lastly, these findings provide insight into the cellular strategies which may be used to support growth in a stratified future ocean predicted to favor picoeukaryotes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Fission gas swelling in U{sub 3}Si{sub 2} at LWR conditions

In order to evaluate the feasibility of replacing uranium dioxide fuel with U{sub 3}Si{sub 2} fuel, it is crucial to examine the fuel performance of the silicide fuel under typical LWR conditions. At this early stage of U{sub 3}Si{sub 2} fuel development, before undertaking costly in-pile irradiation experiments and corresponding post-irradiation examinations, it is appropriate to utilize modeling tools to estimate the behavior of U{sub 3}Si{sub 2} in LWRs based on available in-pile irradiation experiments as well as the state-of-the-art calculation capabilities provided by density functional theory (DFT). Therefore, a comprehensive investigation of the fission gas swelling behavior of U{sub 3}Si{sub 2} at LWR conditions is reported here. The modeling efforts in this study are based on the Gas Release and Swelling Subroutine for Steady-State and Transient (GRASS-SST) rate theory (RT) model of fission gas bubble evolution that has been successfully applied to a variety of fuel materials in numerous types of reactors. Both existing in-pile irradiation data and DFT-based calculations were used for the optimized parametrization of the RT model. In addition, the fuel-cladding interaction was captured by coupling the RT model with simplified mechanical correlations. Both the swelling behavior and the fission gas bubble size distribution were predicted by the rate theory model. At LWR conditions, the RT model predicts that intragranular bubbles dominate the gaseous swelling behavior and that the evolution of intergranular bubbles and corresponding gas release are suppressed, confirming the qualification of U{sub 3}Si{sub 2} as a LWR fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Pore-scale investigation on the response of heterotrophic respiration to moisture conditions in heterogeneous soils

The relationship between microbial respiration rate and soil moisture content is an important property for understanding and predicting soil organic carbon degradation, CO 2 production and emission, and their subsequent effects on climate change. This paper reports a pore-scale modeling study to investigate the response of heterotrophic respiration to moisture conditions in soils and to evaluate various factors that affect this response. X-ray computed tomography was used to derive soil pore structures, which were then used for pore-scale model investigation. The pore-scale results were then averaged to calculate the effective respiration rates as a function of water content in soils. The calculated effective respiration rate first increases and then decreases with increasing soil water content, showing a maximum respiration rate at water saturation degree of 0.75 that is consistent with field and laboratory observations. The relationship between the respiration rate and moisture content is affected by various factors, including pore-scale organic carbon bioavailability, the rate of oxygen delivery, soil pore structure and physical heterogeneity, soil clay content, and microbial drought resistivity. Simulations also illustrates that a larger fraction of CO 2 produced from microbial respiration can be accumulated inside soil cores under higher saturation conditions, implying that CO 2 flux measured on the top of soil cores may underestimate or overestimate true soil respiration rates under dynamic moisture conditions. Overall, this study provides mechanistic insights into the soil respiration response to the change in moisture conditions, and reveals a complex relationship between heterotrophic microbial respiration rate and moisture content in soils that is affected by various hydrological, geochemical, and biophysical factors.

58 GEOSCIENCES↗
NASA NTRS1975

Condition of cardiovascular systems of astronauts during flight of Soyuz orbital station

Extensive studies of blood circulation functions during manned space flight demonstrated a pronounced tendency toward an increase in minute volume of the blood and a decrease in pulse wave propagation rate. Individual blood circulation indices had large amplitude fluctuations. Physical work loads caused slow recovery of heart rate, arterial pressure and minute blood volume.

Degtyarev, V. A.↗
DOE OSTI2017

Understanding the Performance of Automotive Catalysts via Spatial Resolution of Reactions inside Honeycomb Monoliths

By directly resolving spatial and temporal species distributions within operating honeycomb monolith catalysts, spatially resolved capillary inlet mass spectrometry (SpaciMS) provides a uniquely enabling perspective for advancing automotive catalysis. Specifically, the ability to follow the spatiotemporal evolution of reactions throughout the catalyst is a significant advantage over inlet-and-effluent-limited analysis. Intracatalyst resolution elucidates numerous catalyst details including the network and sequence of reactions, clarifying reaction pathways; the relative rates of different reactions and impacts of operating conditions and catalyst state; and reaction dynamics and intermediate species that exist only within the catalyst. These details provide a better understanding of how the catalyst functions and have basic and practical benefits; e.g., catalyst system design; strategies for on-road catalyst state assessment, control, and on-board diagnostics; and creating robust and accurate predictive catalyst models. Moreover, such spatiotemporally distributed data provide for critical model assessment, and identification of improvement opportunities that might not be apparent from effluent assessment; i.e., while an incorrectly formulated model may provide correct effluent predictions, one that can accurately predict the spatiotemporal evolution of reactions along the catalyst channels will be more robust, accurate, and reliable. In such ways, intracatalyst diagnostics comprehensively enable improved design and development tools, and faster and lower-cost development of more efficient and durable automotive catalyst systems. Beyond these direct contributions, SpaciMS has spawned and been applied to enable other analytical techniques for resolving transient distributed intracatalyst performance. This chapter focuses on SpaciMS applications and associated catalyst insights and improvements, with specific sections related to lean NOx traps, selective catalytic reduction catalysts, oxidation catalysts, and particulate filters. The objective is to promote broader use and development of intracatalyst analytical methods, and thereby expand the insights resulting from this detailed perspective for advancing automotive catalyst technologies.

Partridge Jr, William↗
DOE OSTI2021

Time dependent zero valent iron oxidation and the reductive removal of pertechnetate at variable pH

Elemental iron Fe 0 is a promising reductant for removal of radioactive technetium-99 (Tc) from complex aqueous waste streams that contain sulfate, halides, and other inorganic anions generated during processing of legacy radioactive waste. The impact of sulfate on the kinetics of oxidation and reduction capacity of Fe 0 in the presence of Tc has not been examined. We investigated the oxidative transformation of Fe 0 and reductive removal of TcO 4 - in 0.1 M Na 2 SO 4 as a function of initial pH (i.e., pH i 4, 7, and 10) under aerobic conditions up to 30 days. Tc reduction was the fastest at pH i 7 and slowest at pHi 10 (Tc reduction rate pHi 7 > 4 > 10). Aqueous fraction of Tc was measured at 0.4% at pH i 7 within 6 h, whereas ≥ 97% of Tc was removed from solutions at pH i of 4 and 10 within 24 h. Solid phase characterization showed that magnetite was the only oxidized crystalline phase for the first 6 h regardless of initial pH. Lepidocrocite was the most abundant oxidized product for pH i 10 after 5 days, but was not observed at pH of 4 or 7.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Design of a high-temperature cell for cobalt-60 irradiations of aqueous solutions with in situ UV–visible spectroscopy

To understand the speciation of solutes in aqueous solutions in high temperature radiation environments, we report the design and fabrication of a custom-built, high temperature (≤300 °C) titanium irradiation cell with in situ optical spectroscopy capabilities, as afforded by coupled fiber optic cables. The wetted surfaces of the 8-inch tall cylindrical cell with 3.5 in. diameter are entirely made of titanium, sapphire, and gold, which are chemically and radiolytically inert. The initial benchmarking results are reported, including the baseline spectrum of deionized water as a function of temperature, the stability of a spectrum over 4 h at 100 °C, and an irradiated Fricke dosimetry solution under ambient irradiator temperature conditions (27.0 ± 0.5 °C). Further, the average gamma radiation dose rate in the cell in its current configuration is 26.1 ± 1.3 Gy min -1 . This cell has application in studying several processes throughout the nuclear fuel cycle, including the reactor coolant behavior.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2015

Degradation Mechanisms and Lifetime Prediction for Lithium-Ion Batteries -- A Control Perspective: Preprint

Predictive models of Li-ion battery lifetime must consider a multiplicity of electrochemical, thermal, and mechanical degradation modes experienced by batteries in application environments. To complicate matters, Li-ion batteries can experience different degradation trajectories that depend on storage and cycling history of the application environment. Rates of degradation are controlled by factors such as temperature history, electrochemical operating window, and charge/discharge rate. We present a generalized battery life prognostic model framework for battery systems design and control. The model framework consists of trial functions that are statistically regressed to Li-ion cell life datasets wherein the cells have been aged under different levels of stress. Degradation mechanisms and rate laws dependent on temperature, storage, and cycling condition are regressed to the data, with multiple model hypotheses evaluated and the best model down-selected based on statistics. The resulting life prognostic model, implemented in state variable form, is extensible to arbitrary real-world scenarios. The model is applicable in real-time control algorithms to maximize battery life and performance. We discuss efforts to reduce lifetime prediction error and accommodate its inevitable impact in controller design.

25 ENERGY STORAGE↗
DOE OSTI2021

Effect of workpiece curvature on the tool influence function during hemispherical sub-aperture tool glass polishing

The influence of workpiece curvature on the tool influence function spot during polishing of fused silica glass with cerium oxide slurry, while using a rotating hemispherical pad-foam tool for a wide variety of process conditions (tool displacement, inclination angle, and rotation rate), has been investigated. (Workpiece curvature ranged from 500 mm radius concave to 43 mm radius convex.) The TIF spot decreases in diameter and increases in the peak removal rate on more convex workpieces. In contrast, the TIF spot increases both in diameter and peak removal rate on more concave workpieces. For the range of workpiece curvatures investigated, both the spot size and the peak removal rate changed significantly, as much as 2 times. An elastic sphere–sphere contact mechanics model, which utilizes both a modified displacement (that leads to a change in the applied load) as well as a mismatch factor (that influences the pressure distribution shape), has been developed. Furthermore, the model was validated using both offline load-displacement measurements and finite-element analysis simulations. The model quantitatively describes the measured change in the relative contact diameter and relative pressure distribution, as well as semiquantitively describes the change in the relative volumetric removal rate on a large variety of TIF spots. The change in the volumetric removal rate for convex workpieces is a result of the balance between a decreasing spot size (reducing removal) and an increasing peak pressure (increasing removal), which usually results in relatively small changes in volumetric removal. In the case of concave workpieces, the volumetric removal rate change is also governed by a similar balance, but the spot size increase contribution dominates, resulting in a significant increase in volumetric removal rate. Understanding these trends can enable methods to add greater determinism during the fabrication of freeform optics by adjusting polishing parameters (such as dwell time) while the tool translates along a workpiece surface with different local curvatures.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Kinetics of the Toluene Reaction with OH Radical

We calculated the kinetics of chemical activation reactions of toluene with hydroxyl radical in the temperature range from 213 K to 2500 K and the pressure range from 10 Torr to the high-pressure limit by using multistructural variational transition state theory with the small-curvature tunneling approximation (MS-CVT/SCT) and using the system-specific quantum Rice-Ramsperger-Kassel method. The reactions of OH with toluene are important elementary steps in both combustion and atmospheric chemistry, and thus it is valuable to understand the rate constants both in the high-pressure, high-temperature regime and in the low-pressure, low-temperature regime. Under the experimental pressure conditions, the theoretically calculated total reaction rate constants agree well with the limited experimental data, including the negative temperature dependence at low temperature. We find that the effect of multistructural anharmonicity on the partition functions usually increases with temperature, and it can change the calculated reaction rates by factors as small as 0.2 and as large as 4.2. We also find a large effect of anharmonicity on the zero-point energies of the transition states for the abstraction reactions. We report that abstraction of H from methyl should not be neglected in atmospheric chemistry, even though the low-temperature results are dominated by addition. We calculated the product distribution, which is usually not accessible to experiments, as a function of temperature and pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Cold-air annular-cascade investigation of aerodynamic performance of cooled turbine vanes. 2: Trailing-edge ejection, film cooling, and transpiration cooling

The aerodynamic performance of four different cooled vane configurations was experimentally determined in a full-annular cascade at a primary- to coolant-total-temperature ratio of 1.0. The vanes were tested over a range of coolant flow rates and pressure ratios. Overall vane efficiencies were obtained and compared, where possible, with the results obtained in a four-vane, annular-sector cascade. The vane efficiency and exit flow conditions as functions of radial position were also determined and compared with solid (uncooled) vane results.

Goldman, L. J.↗
NASA NTRS1975

Reactions of astronauts under weightless conditions

Experimental data show that weightlessness conditions lasting 5 days or more (18-25) do not produce significant disturbances in physical reactions of astronauts, with the exception of some singularities in functioning of the cardiovascular system: A reduction in heart rate and somewhat large fluctuations in the physiological indicators of cutaneogalvanic reactions.

Kasyan, I. I.↗
NASA NTRS1976

Dynamic ductile fracture of a central crack

A central crack, symmetrically growing at a constant speed in a two dimensional ductile material subject to uniform tension at infinity, is investigated using the integral transform methods. The crack is assumed to be the Dugdale crack, and the finite stress condition at the crack tip is satisfied during the propagation of the crack. Exact expressions of solution are obtained for the finite stress condition at the crack tip, the crack shape, the crack opening displacement, and the energy release rate. All those expressions are written as the product of explicit dimensional quantities and a nondimensional dynamic correction function. The expressions reduce to the associated static results when the crack speed tends to zero, and the nondimensional dynamic correction functions were calculated for various values of the parameter involved.

Tsai, Y. M.↗
NASA NTRS1990

Emittance bounds for transient radiative cooling of a scattering rectangular region

Transient cooling was analyzed for a two-dimensional gray rectangular region that emits, absorbs, and isotropically scatters radiation. The region, initially at uniform temperature, is placed in surroundings at a much lower temperature. The cooling analysis yields two simultaneous equations for the transient temperature and scattering source function distributions. The region starts to cool with the medium at uniform temperature. For this condition, the local emittance around the perimeter was obtained by a numerical solution of the radiative equations, and the rate of heat loss from the entire medium was evaluated. As cooling continues, the emissive ability decreases because of the lower temperatures in the outer regions of the rectangle. Based on some previous work, a lower limit for the transient overall emittance was found by obtaining a similarity solution. For some ranges of optical thickness and scattering albedo, the lower limit is only a small amount below the initial emittance. For these conditions, the initial emittance can be used to compute the entire transient resulting in a considerable simplification.

Siegel, Robert↗