Search NASA⌕ Search

SEARCH · Search NASA

Results for “equilibrium constant”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

The relaxation of a turbulent boundary layer in an adverse pressure gradient

Reattached turbulent boundary layer relaxation downstream of a wall fence is investigated. An adverse pressure gradient is imposed upon it which is adjusted to bring the boundary layer into equilibrium. The pressure gradient is adjusted so as to bring the Clauser parameter G down to a value of about 11.4 and then maintain it constant. In the region from the reattachment point to 2 or 3 reattachment lengths downstream, the boundary layer recovers from the initial major effects of reattachment. Farther downstream, where G is constant, the pressure-gradient parameter changes very slowly and profiles of non-dimensionalized eddy viscosity appear self-similar. However, pressure gradient and eddy viscosity are both roughly twice as large as expected on the basis of previous equilibrium turbulent boundary layer studies.

Cutler, Andrew D.↗
NASA NTRS1984

An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces.

Pratt, B. S.↗
NASA NTRS1988

Internal structure and shape of Mimas

The observed triaxial ellipsoid shape of Mimas, in conjunction with a mean density of 1137 kg/cu cm, is presently used as the basis of hydrostatic equilibrium and nonhydrostatic models of internal structure whose outer layers are sufficiently strong to support part of the tidal load. Such plausible internal structures are consistent with the shape and density constraints as (1) a two-layer model in hydrostatic equilibrium, (2) a hydrostatic model with four layers of equal depth, and (3) a nonhydrostatic constant-density model with an elastic lithosphere; these models admit either homogeneous or heterogeneous accretion, as well as either a cold thermal history or melting and differentiation.

Ross, M. N.↗
NASA NTRS1990

Surface Reorientation and Settling in Cylinders upon Step Reduction in Gravity

A large literature exists concerning the equilibrium configurations of free liquid/gas surfaces in reduced gravity environments. Such conditions generally yield surfaces of constant curvature contracting the container wall at a particular angle. The time required to reach and stabilize about this configuration is less studied for the case of sudden changes in gravity level; e.g., from normal- to low-gravity, as can occur in many drop tower experiments. The particular interest here was to determine the total reorientation time for such surfaces in cylinders, as a function primarily of contact angle and kinematic viscosity, in order to aid in the development of drop tower experiment design. A large parametric range of tests were performed and, based on an accompanying scale analysis, the complete data set was correlated. The results of other investigations are included for comparison.

Weislogel, Mark M.↗
NASA NTRS1990

Surface settling in partially filled containers upon step reduction in gravity

A large literature exists concerning the equilibrium configurations of free liquid/gas surfaces in reduced gravity environments. Such conditions generally yield surfaces of constant curvature meeting the container wall at a particular (contact) angle. The time required to reach and stabilize about this configuration is less studied for the case of sudden changes in gravity level, e.g. from normal- to low-gravity, as can occur in many drop tower experiments. The particular interest here was to determine the total reorientation time for such surfaces in cylinders (mainly), as a function primarily of contact angle and kinematic viscosity, in order to aid in the development of drop tower experiment design. A large parametric range of tests were performed and, based on an accompanying scale analysis, the complete data set was correlated. The results of other investigations are included for comparison.

Weislogel, Marl M.↗
NASA NTRS1971

Thermodynamic properties and theoretical rocket performance of hydrogen to 100,000 K and 1.01325 x 10 to the 8th power N/sq m

The composition and thermodynamic properties were calculated for 100 to 110,000 K and 1.01325 x 10 to the 2nd power to 1.01325 x 10 to the 8th power N/sq m for chemical equilibrium in the Debye-Huckel and ideal-gas approximations. Quantities obtained were the concentrations of hydrogen atoms, protons, free electrons, hydrogen molecules, negative hydrogen ions, hydrogen diatomic molecular ions, and hydrogen triatomic molecular ions, and the enthalpy, entropy, average molecular weight, specific heat at constant pressure, density, and isentropic exponent. Electronically excited states of H and H2 were included. Choked, isentropic, one-dimensional nozzle flow with shifting chemical equilibrium was calculated to the Debye-Huckel and ideal-gas approximations for stagnation temperatures from 2500 to 100,000 K. The mass flow per unit throat area and the sonic flow factor were obtained. The pressure ratio, temperature, velocity, and ideal and vacuum specific impulses at the throat and for pressure ratios as low as 0.000001 downstream were found. For high temperatures at pressures approaching 1.01325 x 10 to the 8th power N/sq m, the ideal-gas approximation was found to be inadequate for calculations of composition, precise thermodynamic properties, and precise nozzle flow. The greatest discrepancy in nozzle flow occurred in the exit temperature, which was as much as 21 percent higher when the Debye-Huckel approximation was used.

Patch, R. W.↗
NASA NTRS1992

Lumley's energy cascade dissipation rate model for boundary-free turbulent shear flows

True dissipation occurs mainly at the highest wavenumbers where the eddy sizes are comparatively small. These high wavenumbers receive their energy through the spectral cascade of energy starting with the largest eddies spilling energy into the smaller eddies, passing through each wavenumber until it is dissipated at the microscopic scale. However, a small percentage of the energy does not spill continuously through the cascade but is instantly passed to the higher wavenumbers. Consequently, the smallest eddies receive a certain amount of energy almost immediately. As the spectral energy cascade continues, the highest wavenumber needs a certain time to receive all the energy which has been transferred from the largest eddies. As such, there is a time delay, of the order of tau, between the generation of energy by the largest eddies and the eventual dissipation of this energy. For equilibrium turbulence at high Reynolds numbers, there is a wide range where energy is neither produced by the large eddies nor dissipated by viscosity, but is conserved and passed from wavenumber to higher wavenumbers. The rate at which energy cascades from one wavenumber to another is proportional to the energy contained within that wavenumber. This rate is constant and has been used in the past as a dissipation rate of turbulent kinetic energy. However, this is true only in steady, equilibrium turbulence. Most dissipation models contend that the production of dissipation is proportional to the production of energy and that the destruction of dissipation is proportional to the destruction of energy. In essence, these models state that the change in the dissipation rate is proportional to the change in the kinetic energy. This assumption is obviously incorrect for the case where there is no production of turbulent energy, yet energy continues to cascade from large to small eddies. If the time lag between the onset on the energy cascade to the destruction of energy at the microscale can be modeled, then there will be a better representation of the dissipation process. Development of an energy cascade time scale equation is discussed.

Duncan, B. S.↗
NASA NTRS2012

Measurement of Vibrational Non-Equilibrium in a Supersonic Freestream Using Dual-Pump CARS

Measurements have been conducted at the University of Virginia Supersonic Combustion Facility of the flow in a constant area duct downstream of a Mach 2 nozzle, where the airflow has first been heated to approximately 1200 K. Dual-pump CARS was used to acquire rotational and vibrational temperatures of N2 and O2 at two planes in the duct at different downstream distances from the nozzle exit. Wall static pressures in the nozzle are also reported. With a flow of clean air, the vibrational temperature of N2 freezes at close to the heater stagnation temperature, while the O2 vibrational temperature is about 1000 K. The results are well predicted by computational fluid mechanics models employing separate "lumped" vibrational and translational/rotational temperatures. Experimental results are also reported for a few percent steam addition to the air and the effect of the steam is to bring the flow to thermal equilibrium.

Cutler, Andrew D.↗
NASA NTRS2026

Optimization of a 10–Step Reduced CH₄/O₂ Combustion Mechanism for RDRE Applications

A 10-step, 9-species reduced mechanism for methane/oxygen combustion is evaluated and optimized for use in rotating detonation rocket engine (RDRE) simulations at an operating pressure of 10 bar. The mechanism is assessed against GRI-Mech 3.0 for ignition delay times, adiabatic equilibrium temperature and species, Chapman-Jouguet (CJ) detonation parameters, and laminar flame speed. A sequential Nelder–Mead optimization procedure is applied to the rate constants of reactions R1, R4, and R5, targeting ignition delay agreement over the equivalence ratio range φ = 1.0–1.4 and temperature range T = 1400–2000 K. The optimized mechanism achieves ignition delay agreement within 28% of GRI-Mech 3.0 for the temperature range relevant to RDRE operation (τ ≥ 5 μs). Adiabatic equilibrium temperatures and CJ detonation parameters are reproduced within 0.15% of GRI-Mech 3.0 values, confirming thermodynamic consistency of the mechanism. Laminar flame speed predictions deviate significantly from GRI-Mech 3.0, which is attributed to the absence of HO₂ chemistry in the reduced mechanism; this limitation does not affect RDRE simulation fidelity since laminar flame propagation is of secondary importance in RDREs.

Computational Fluid Dynamics↗
DOE OSTI2024

Role of Short-Range Order on Diffusion Coefficients in the Li–Mg Alloy

Li–Mg alloys are important because of their beneficial role in fostering uniform plating and stripping of lithium in all-solid-state batteries. The alloy Li x Mg 1–x forms a solid solution on the BCC crystal structure when the lithium content is greater than x ≈ 0.3. The activation barriers of lithium and magnesium exchanges with a vacancy, crucial for substitutional diffusion, are predicted to be exceptionally low and almost identical, with negligible dependence on the alloy composition. The equilibrium vacancy concentration at room temperature is predicted to be very low, and it also remains almost constant with no dependence on Mg content in the alloy (for x Li ≥ 0.5). Nevertheless, both experiments and kinetic Monte Carlo simulations indicate that the tracer diffusion coefficients decrease by almost an order of magnitude with the addition of Mg to the alloy. In this contribution, the crucial role that chemical short-range order plays in affecting the diffusion coefficients is studied. Chemical short-range order is found to increase the effective activation barrier for lithium and magnesium diffusion by making successive atomic hops with vacancies correlated.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Kinetic Pathways to Diblock Copolymer Micelles via Thin Film Dissolution and Cosolvent Variation

We investigate how processing pathways control micelle formation during dissolution of lamellar diblock copolymers using dissipative particle dynamics (DPD) simulations and DPD-selfconsistent field theory (DPD-SCFT). Comparing thin film (TF) and cosolvent-assisted (CS) dissolution reveals fundamentally different micellization mechanisms and final states. In the TF pathway, dissolution proceeds through a metastable cylindrical intermediate that dictates final micelle dimensions. The lamellar melt first transforms into cylindrical micelles, which then fragment into spherical micelles. The final spherical radius is intrinsically linked to the cylinder radius by a constant ratio, Rsphere ≈ 1.4Rcylinder. DPD-SCFT confirms that both cylinders and spheres are near their equilibrium dimensions. In contrast, CS dissolution produces kinetically trapped micelles with sizes significantly below equilibrium. Micellization is hindered by high free energy barriers to single-chain exchange and fusion. Growth occurs primarily via fusion, but increasing corona repulsion suppresses further coarsening, preventing equilibration. These results demonstrate that, when starting from a bulk copolymer phase, the metastable cylindrical intermediate plays a central role in determining final micelle size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Summary of GNU Octave Lady Godiva Simulator

A pseudo real-time interactive reactor simulator for the Lady Godiva reactor has been developed using the GNU Octave software package. The simulator tracks the time-dependent power and fuel temperature behavior of the Lady Godiva reactor during sub-prompt critical transients. Users interact with the simulator by controlling reactivity input. This input occurs through users repositioning a control rod as desired during simulator operation. Various reactor parameters are displayed graphically in near “real time,” facilitating user assessment and feedback input. The reactor model consists of a lumped-fuel core, a single control rod, and a simple heat transfer mechanism that allows heat to be rejected from the core. The goal of the simulator is to demonstrate in real-time the system response to reactivity perturbations, the effect of reactivity feedback, and the effect of temperature-dependent equilibrium conditions. The dynamic behavior of the reactor is primarily driven by the relative characteristic time-constants between the delayed neutrons and the overall heat transfer parameter. The simulator will allow users to gain experience performing standard reactor operations, such as establishing steady-state at different fuel temperatures and making power level changes

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Magnetic Sorbent for the Removal of Selenium(IV) from Simulated Industrial Wastewaters: Determination of Column Kinetic Parameters

A novel meso- and microporous tire-derived-carbon support with magnetic iron oxide nanoparticle adsorbents that selectively adsorbs Se(IV) ions from simulated contaminated water has been developed. In this work, the physicochemical characteristics of the composite adsorbent are characterized with respect to porosity and surface area, chemical composition, and microstructure morphology. The kinetics of this composite adsorbent in a fixed-bed setting has been determined. Several column runs were conducted and analyzed by inductively coupled plasma-optical emission spectroscopy (ICP-OES) to determine the concentration gradient vs time. These results were then fit to a pseudo-second order rate law to obtain equilibrium values. Combining calculated equilibrium values with effluent concentration data, enabled the application of the Adams–Bohart model to determine reaction constants and column coefficients. Column parameters obtained from different flow rates and fittings of the Adams–Bohart model were remarkably consistent. These findings enable the application of this sorbent to fixed-bed column systems and opens up further research into mixed pollutants tests with real wastewater and scaling of selenium pollutant removal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Plasmasphere thermal structure as measured by ISEE-1 and DE-1

Characteristics of plasmaspheric ion thermal structure are presented from a statistical survey of low-energy of ion measurements made by the retarding ion mass spectrometer (RIMS) on the DE-1 satellite. Morning and evening results are compared to illustrate diurnal trends. Typical day side temperature range from about 4000 K in the inner plasmasphere to over 10,000 K in the outer plasmasphere, while corresponding evening side temperatures range from near 2000 K to over 10,000 K. Magnetic activity is found to affect the morning and evening sides somewhat differently. Temperatures are found to remain constant or increase with altitude along magnetic field lines, depending on local time and L shell. Thermal equilibrium between H(+) and He(+) prevails to a high degree throughout the plasmasphere. Ion temperatures from the Plasma Composition Experiment (PCE) on ISEE-1 are generally consistent with those from DE-1/RIMS, but are lower and tend to indicate more large scale structure on the day side.

Comfort, R. H.↗
NASA NTRS2000

Polar Plate Theory for Orthogonal Anisotropy

Laminated fiber-reinforced (or filamentary) composites are used today for their high strength-to-weight and stiffness-to-weight ratios. However, because of the anisotropic behavior of composites, determining the response on a macroscopic scale is challenging. This is particularly evident in the evaluation of the governing differential equations of a circular disk with the fibers of the lamina oriented with rectilinear orthogonality. This includes any situation involving a composite plate of circular geometry in which out-of-plane displacements due to load are desired, such as fastener pull through loading of a composite plate. Current analysis techniques use numerical methods with rectilinear coordinate systems to solve problems with circular geometry. These analyses over predict plate stiffness by 20% and underpredict failure by 70%. Consequently, there is a need to transform classical composite plate theory to a polar coordinate system. In order to better analyze structures with circular geometries the classical composite plate equations are transformed into the plate equations for a rectilinearly anisotropic composite in polar coordinates. A composite plate is typically a laminate of fibers in rectilinear directions. Subsequent to the lay-tip the necessary geometry is cut out of a rectangular plate. In a similar manner, the derivation of the plate equation starts with the fundamental definitions of strain, displacement and curvature and incorporates the material property angular dependence into the equilibrium equations for a differential polar element. In the transformed state, the stiffness coefficients are no longer constant, adding to the complexity of the governing differential equations. This paper discusses the new derivation and evaluation of the plate equations for a circular composite disk with orthogonal rectilinear anisotropy. The resultant new three partial differential equations, which describe the circular anisotropic plate, can be used to evaluate out-of-plane displacements for given load conditions in design of composite Structures. Without the formation of these unique plate equations, design of such structures is not a precise engineering accomplishment due to the lack of precise design tools. Such structures are over designed to compensate and costly tests need to be performed after production to validate safety. Though impossible to present the mathematical solution within the limits of this paper, the application of the newly derived plate equation in its orthotropic form for a balanced symmetric laminate compared favorably with test results and surpassed the results of standard numerical methods. Within the limitations of the problem foundation the predictive model provides a mechanism for establishing out-of-plane deflection levels for a circular composite plate. Future work in this area should include incorporating the circular composite plate equations in Finite Element Models. The new anisotropic polar plate equations call be utilized as a design tool so that the design more accurately meets the requirements, thus taking full advantage of the weight savings of composites. These accomplishments have not previously been presented to the engineering community nor ever proposed to the IAF. Should the proposed paper be accepted for presentation, attendance is assured.

Bailey, Michelle D.↗
NASA NTRSDate not supplied

Achieving Equilibrium for Dense, Integrated, Vehicle Navigation

Drone usage has proliferated in recent years with many applications that have market-changing potential. Applications that include parcel delivery, wildlife protection, precision farming, law enforcement, and industrial inspection, just to name a few. In this paper, the term drone is used to mean both Unmanned Aerial Vehicle and small Unmanned Aircraft System vehicles. Flight infrastructure can currently only support a few thousand aircraft flying over the United States National Airspace System (NAS) at any given time. A delay atone airport sends ripple effects through the system, causing more delays and missed connections. Once regulations and safety policies are put in place to allow for the widespread use of unmanned drones, the number of aircraft in the NAS is expected to skyrocket to millions, potentially congesting the airspace resulting in possible separation violations. In air traffic control, separation is the concept of keeping an “ownship” aircraft outside a minimum distance from “intruder” aircraft to reduce the risk of the aircraft colliding, as well as preventing accidents due to secondary factors, such as wake turbulence. Maintaining proper separation is a safety critical property for drones in the airspace. This paper addresses separation in time and in distance for high volume corridors (en-route) and lanes(on ground). The requirements and necessary conditions for maintaining proper separation and reaching maximum throughput for a given corridor/lane are addressed assuming unidirectional corridors/lanes where an aircraft arrives from one side and departs from the opposite side. Simulation results are presented that show the presented solution guarantees a set of drones to reach the equilibrium state by adjusting their speed based on their distance to the aircraft in front of them. The equilibrium state is defined as a state when a set of n aircraft moving at a relatively constant speed and uniform spacing from each other in a congested system. A congested system is defined as a state when the aircraft cannot move at their maximum allowed speed. Unlike existing centralized and pre-planned approaches, the proposed solution is fully distributed and enables autonomous aircraft to decide to adjust their speed and distance with respect to the preceding aircraft, dynamically. Simulation results are presented that assess the feasibility of the approach using a large number of drones and evaluate the scalability of the proposed solution.

Mahyar R. Malekpour↗
DOE OSTI2022

Verification of stability and unraveling the electronic and physical properties of bulk and (001)-surfaces of newly synthesized Ti 2 ZnX (X = C, N) MAX phases

MAX phase family has been extended by the addition of late transition metals at the A-site with the expectation of diverse functional properties. Here, we present our systematic density functional investigation on the thermodynamic and phonon stabilities, elastic properties, including elastic constants, elastic moduli and elastic anisotropy of newly synthesized Ti 2 ZnX (X = C, N) phases in comparison with conventional Ti 2 AlX (X = C, N). Due to the smaller size of N as compared to C, the unit cell dimension is reduced when C atoms are replaced by N atoms at the X-site. Furthermore, the Ti 2 ZnC and Ti 2 ZnN are stable at the equilibrium volume of 110.84 Å 3 and 105.70 Å 3 . The thermodynamic, mechanical and dynamical stabilities are validated by estimating the formation energies, elastic constants and phonon dispersions, respectively. The elastic properties of Ti 2 ZnN are less anisotropic as compared to those of Ti 2 ZnC. To understand the thin-film characteristics in Ti 2 ZnX, the surface properties with (001)-terminated slabs are investigated. Both Ti 2 ZnX bulk and (001)-surfaces exhibit metal-like electronic structures. There is a strong covalent bonding between Ti-X and Ti-Zn atoms confirmed by the charge density map and Mulliken population analysis. Additional states are generated at the Fermi level (EF) due to the unusual d-p states hybridization between Ti and Zn atoms. The anisotropy in chemical bonding is confirmed by the cleavage energy difference between Ti-X and Ti-Zn. Here, Ti(X)-001 and Zn-001 terminations are stable surfaces; however, in terms of chemical potentials, Zn-001 termination is the most favourable in Ti 2 ZnX.

36 MATERIALS SCIENCE↗