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Results for “Chemical equilibrium”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Magnetic field decay in isolated neutron stars

Three mechanisms that promote the loss of magnetic flux from an isolated neutron star - Ohmic decay, ambipolar diffusion, and Hall drift - are investigated. Equations of motions are solved for charged particles in the presence of a magnetic field and a fixed background of neutrons, while allowing for the creation and destruction of particles by weak interactions. Although these equations apply to normal neutrons and protons, the present interpretations of their solutions are extended to cover cases of neutron superfluidity and proton superconductivity. The equations are manipulated to prove that, in the presence of a magnetic force, the charged particles cannot be simultaneously in magnetostatic equilibrium and chemical equilibrium with the neutrons. The application of the results to real neutron stars is discussed.

Goldreich, Peter↗
NASA NTRSDate not supplied

Thermal Analysis of an In-Space Heat Shield Exposed to a Rocket Plume During Stage Separation

Thermal analyses were conducted to evaluate the thermal response of various individual materials and multi-layer configurations for an in-space heat shield exposed to a rocket plume during stage separation. Frequently used, readily available thermal protection materials consisting of cork, carbon cloth phenolic (CCP), and silica cloth phenolic (SCP) were selected for an initial screening analysis. SCP was chosen as the primary material for further evaluation using an updated thermal environment calculated using computational fluid dynamics (CFD) results. A multi-layer configuration consisting of SCP providing erosion resistance and a Nomex honeycomb providing thermal protection was then evaluated as a solution for more mass-efficient performance. Pyrolysis depth, bondline temperature, back-side temperature, and a thermal factor of safety were used to define the necessary material thickness profile. Adhesives were included in the analyses with considerations for maximum temperature and application method. One dimensional thermal analyses at several stations along the heat shield surface were performed for the initial screening and follow-on analyses. The methodology used standard processes and computer programs applicable to solid rocket motor internal insulation and nozzle thermal analysis such as Chemical Equilibrium and Applications (CEA), Aerotherm Chemical Equilibrium (ACE), Momentum/Energy Integral Technique (MEIT), and Insulation Thermal Response and Ablation Code (ITRAC). The baseline SCP/Nomex honeycomb multi-layer configuration thermal performance predictions satisfied the objectives with an acceptable mass estimate for the design maturity. The EA9673 film adhesive and SCP resin were the best performing bonding agents considered for the SCP/Nomex honeycomb and Nomex honeycomb/structural substrate interfaces. The baseline mass estimate was lowest when the resin was the bonding agent due to the higher maximum service temperature. These thermal analyses evaluated typical internal and external nozzle materials using a calculated thermal environment and heat loads that were lower than a typical rocket motor internal environment but greater than standard external aeroheating.

Andrew T Hiatt↗
NASA NTRS1996

Progress Toward an Efficient and General CFD Tool for Propulsion Design/Analysis

The simulation of propulsive flows inherently involves chemical activity. Recent years have seen substantial strides made in the development of numerical schemes for reacting flowfields, in particular those involving finite-rate chemistry. However, finite-rate calculations are computationally intensive and require knowledge of the actual kinetics, which are not always known with sufficient accuracy. Alternatively, flow simulations based on the assumption of local chemical equilibrium are capable of obtaining physically reasonable results at far less computational cost. The present study summarizes the development of efficient numerical techniques for the simulation of flows in local chemical equilibrium, whereby a 'Black Box' chemical equilibrium solver is coupled to the usual gasdynamic equations. The generalization of the methods enables the modelling of any arbitrary mixture of thermally perfect gases, including air, combustion mixtures and plasmas. As demonstration of the potential of the methodologies, several solutions, involving reacting and perfect gas flows, will be presented. Included is a preliminary simulation of the SSME startup transient. Future enhancements to the proposed techniques will be discussed, including more efficient finite-rate and hybrid (partial equilibrium) schemes. The algorithms that have been developed and are being optimized provide for an efficient and general tool for the design and analysis of propulsion systems.

Cox, C. F.↗
NASA NTRS1995

Computing Properties Of Chemical Mixtures At Equilibrium

Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

Mcbride, B. J.↗
NASA NTRS2003

Finite-Rate Ablation Boundary Conditions for Carbon-Phenolic Heat-Shield

A formulation of finite-rate ablation surface boundary conditions, including oxidation, nitridation, and sublimation of carbonaceous material with pyrolysis gas injection, has been developed based on surface species mass conservation. These surface boundary conditions are discretized and integrated with a Navier-Stokes solver. This numerical procedure can predict aerothermal heating, chemical species concentration, and carbonaceous material ablation rate over the heatshield surface of re-entry space vehicles. In this study, the gas-gas and gas-surface interactions are established for air flow over a carbon-phenolic heatshield. Two finite-rate gas-surface interaction models are considered in the present study. The first model is based on the work of Park, and the second model includes the kinetics suggested by Zhluktov and Abe. Nineteen gas phase chemical reactions and four gas-surface interactions are considered in the present model. There is a total of fourteen gas phase chemical species, including five species for air and nine species for ablation products. Three test cases are studied in this paper. The first case is a graphite test model in the arc-jet stream; the second is a light weight Phenolic Impregnated Carbon Ablator at the Stardust re-entry peak heating conditions, and the third is a fully dense carbon-phenolic heatshield at the peak heating point of a proposed Mars Sample Return Earth Entry Vehicle. Predictions based on both finite-rate gas- surface interaction models are compared with those obtained using B' tables, which were created based on the chemical equilibrium assumption. Stagnation point convective heat fluxes predicted using Park's finite-rate model are far below those obtained from chemical equilibrium B' tables and Zhluktov's model. Recession predictions from Zhluktov's model are generally lower than those obtained from Park's model and chemical equilibrium B' tables. The effect of species mass diffusion on predicted ablation rate is also examined.

Chen, Y.-K.↗
NASA NTRS1993

Computing Thermodynamic And Transport Properties

CET89 calculates compositions in chemical equilibrium and properties of mixtures of any chemical system for which thermodynamic data available. Provides following options: obtains chemical-equilibrium compositions and corresponding thermodynamic mixture properties for assigned thermodynamic states; calculates dilute-gas transport properties of complex chemical mixtures; obtains Chapman-Jouguet detonation properties for gaseous mixtures; calculates properties of incident and reflected shocks in terms of assigned velocities; and calculates theoretical performance of rocket for both equilibrium and frozen compositions during expansion. Rocket performance based on optional models of finite or infinite area combustor.

Mcbride, B.↗
NASA NTRS2009

Liquid Engine Design: Effect of Chamber Dimensions on Specific Impulse

Which assumption of combustion chemistry - frozen or equilibrium - should be used in the prediction of liquid rocket engine performance calculations? Can a correlation be developed for this? A literature search using the LaSSe tool, an online repository of old rocket data and reports, was completed. Test results of NTO/Aerozine-50 and Lox/LH2 subscale and full-scale injector and combustion chamber test results were found and studied for this task. NASA code, Chemical Equilibrium with Applications (CEA) was used to predict engine performance using both chemistry assumptions, defined here. Frozen- composition remains frozen during expansion through the nozzle. Equilibrium- instantaneous chemical equilibrium during nozzle expansion. Chamber parameters were varied to understand what dimensions drive chamber C* and Isp. Contraction Ratio is the ratio of the nozzle throat area to the area of the chamber. L is the length of the chamber. Characteristic chamber length, L*, is the length that the chamber would be if it were a straight tube and had no converging nozzle. Goal: Develop a qualitative and quantitative correlation for performance parameters - Specific Impulse (Isp) and Characteristic Velocity (C*) - as a function of one or more chamber dimensions - Contraction Ratio (CR), Chamber Length (L ) and/or Characteristic Chamber Length (L*). Determine if chamber dimensions can be correlated to frozen or equilibrium chemistry.

Hoggard, Lindsay↗
NASA NTRS2017

A Library of ATMO Forward Model Transmission Spectra for Hot Jupiter Exoplanets

We present a grid of forward model transmission spectra, adopting an isothermal temperature-pressure profile, alongside corresponding equilibrium chemical abundances for 117 observationally significant hot exoplanets (equilibrium temperatures of 547-2710 K). This model grid has been developed using a 1D radiative-convective-chemical equilibrium model termed ATMO, with up-to-date high-temperature opacities. We present an interpretation of observations of 10 exoplanets, including best-fitting parameters and X(exp 2) maps. In agreement with previous works, we find a continuum from clear to hazy/cloudy atmospheres for this sample of hot Jupiters. The data for all the 10 planets are consistent with subsolar to solar C/O ratio, 0.005 to 10 times solar metallicity and water rather than methane-dominated infrared spectra. We then explore the range of simulated atmospheric spectra for different exoplanets, based on characteristics such as temperature, metallicity, C/O ratio, haziness and cloudiness. We find a transition value for the metallicity between 10 and 50 times solar, which leads to substantial changes in the transmission spectra. We also find a transition value of C/O ratio, from water to carbon species dominated infrared spectra, as found by previous works, revealing a temperature dependence of this transition point ranging from approximately 0.56 to approximately 1-1.3 for equilibrium temperatures from approximately 900 to approximately 2600 K. We highlight the potential of the spectral features of HCN and C2H2 to constrain the metallicities and C/O ratios of planets, using James Webb Space Telescope (JWST) observations. Finally, our entire grid (approximately 460 000 simulations) is publicly available and can be used directly with the JWST simulator PandExo for planning observations.

techniques: spectroscopic – planets and satellit↗
NASA NTRS1980

Venus nighttime hydrogen bulge

The concentration of atomic hydrogen in the Venus thermosphere near 165 km altitude and approximately 18 deg north latitude has been derived from Pioneer Venus in situ measurements of H(+), O(+), O and CO2 concentrations, under the assumption of chemical equilibrium. Altitude profiles of derived H concentration suggest that chemical equilibrium prevails to an altitude of at least 200 km on the dayside and to 165 km on the nightside. Measurements below these limits were made by the ion and neutral mass spectrometers on the orbiter spacecraft between December 1978 and July 1979, while periapsis traversed a complete diurnal cycle. The hydrogen concentration is found to rise sharply at both terminators from a dayside value of approximately 50,000/cu cm, and to exhibit an asymmetric nightside distribution with a peak density in the predawn sector approximately 400 times greater than the dayside value. Analysis suggests that wind-induced diffusion, combined with exospheric return flow, can account for the observed hydrogen behavior. The large day-night temperature contrast enhances advective transport, which produces the large H concentration diurnal variation; the shift of the H concentration nighttime maximum toward dawn is caused by atmospheric superrotation.

Brinton, H. C.↗
NASA NTRS1982

Heterogeneous growth of meteorites and planets, especially the earth and moon

It is pointed out that enough information remains in meteorites to show that the solar nebula was chemically inhomogeneous, and that it did not develop under physical and chemical equilibrium. It is found that the earth is not in chemical equilibrium, and that it still retains vestiges of its heterogeneous growth in spite of prolonged convection and volcanism. The present investigation has the aim to unify simple ideas into a comprehensive, complex scheme for heterogeneous growth of the planets and parent bodies of meteorites. A scheme is considered for the conversion of dust and gas in the solar nebula into the present population of bodies. Attention is given to possible processes for the growth and development of planetesimals from dust via clouds, the major episodes in the development of the solar system, the relation of meteorites to a solar nebula with monotonic variation of temperature and oxidation state, the significance of meteorite properties, the composition of the inner planets, and the development of the earth.

Smith, J. V.↗
NASA NTRS1989

Real gas flow computations using algebraic reduction

It is shown that algebraic reduction can be extensively used in the computation of source terms for chemical species in chemically reacting flow fields. Cases of computation from chemical equilibrium and frozen chemistry are considered. For the case of chemical equilibrium the implementation of algebraic reduction method is shown to produce satisfactory results with computational efficiency better than comparable methods. For the case of finite rate chemistry, algebraic reduction of the source term expression for the species is used to obtain a directly integrable expression.

Nagaraj, N.↗
NASA NTRS1987

Navier-Stokes simulation of real gas flows in nozzles

Air flow in a hypersonic nozzle causes real gas effects due to reaction among the species constituting air. Such reactions may be in chemical equilibrium or in chemical nonequilibrium. Here using the CSCM upwind scheme for the compressible Navier-Stokes equations, the real gas flowfield in an arcjet nozzle is computed for both the equilibrium case and the nonequilibrium case. A hypersonic nozzle flow arising from a pebble bed heated plenum is also computed for the equilibrium situation. Between the equilibrium cases, the chemistry is treated by two different schemes and comments are made as to computational complexity. For the nonequilibrium case, a full set of seventeen reactions and full implicit coupling of five species with gasdynamics is employed to compute the flowfield. For all cases considered here the gas is assumed to be a calorically imperfect mixture of ideal gases in thermal equilibrium.

Nagaraj, N.↗
NASA NTRS1992

Radio occultation observations of the ionospheres of Mars and Venus

The availability of a large body of radio occultation data for the Mars and Venus ionospheres makes possible comparative studies of their structures and temporal behavior. On Venus, the nightside ionosphere is produced by the transport of ionization from the dayside, which operates at solar maximum when the ionopause is high, and impact ionization by energetic electrons, which operates at all times. On Mars, transport from the dayside would seem to be inhibited for the same reason as for Venus at solar minimum, although sufficient flux of energetic electrons is present to generate nightside ionization. The Venus ionosphere at solar minimum, and that of Mars at all times, are not in a state of diffusive equilibrium above the chemical equilibrium regions.

Kliore, Arvydas J.↗
NASA NTRS1988

High speed inlet calculations with real gas effects

A 2-D steady-state Navier-Stokes solver has been upgraded to include the effects of frozen and equilibrium air chemistry for applications to high speed flight vehicles. To provide a computationally economical first order approximation to the high temperature physics, variable thermodynamic data is used for the chemically frozen mode to allow for a variation with temperature of the air specific heats and enthalpy. For calculations involving air in chemical equilibrium, a specially modified version of the NASA Lewis Chemical Equilibrium Code, CEC, is used to compute the chemical composition and resultant thermochemical properties. The upgraded solver is demonstrated by comparing results from calorically perfect (C sub p=constant), thermally perfect (frozen) and equilibrium air calculations for a variety of geometries, and flight Mach numbers.

Coirier, William J.↗
NASA NTRS1988

High speed inlet calculations with real gas effects

A 2-D steady-state Navier-Stokes solver has been upgraded to include the effects of frozen and equilibrium air chemistry for applications to high speed flight vehicles. To provide a computationally economical first order approximation to the high temperature physics, variable thermodynamic data is used for the chemically frozen mode to allow for a variation with temperature of the air specific heats and enthalpy. For calculations involving air in chemical equilibrium, a specially modified version of the NASA Lewis Chemical Equilibrium Code, CEC, is used to compute the chemical composition and resultant thermochemical properties. The upgraded solver is demonstrated by comparing results from calorically perfect (C sub p=constant), thermally perfect (frozen) and equilibrium air calculations for a variety of geometries, and flight Mach numbers.

Coirier, William J.↗
NASA NTRS1975

The NATA code: Theory and analysis, volume 1

A computer program for calculating quasi-one-dimensional gas flow in axisymmetric and two-dimensional nozzles and rectangular channels is presented. Flow is assumed to start from a state of thermochemical equilibrium at a high temperature in an upstream reservoir. The program provides solutions based on frozen chemistry, chemical equilibrium, and nonequilibrium flow with finite reaction rates. Electronic nonequilibrium effects can be included using a two-temperature model. An approximate laminar boundary layer calculation is given for the shear and heat flux on the nozzle wall. Boundary layer displacement effects on the inviscid flow are considered also. Chemical equilibrium and transport property calculations are provided by subroutines. The code contains precoded thermochemical, chemical kinetic, and transport cross section data for high-temperature air, CO2-N2-Ar mixtures, helium, and argon. It provides calculations of the stagnation conditions on axisymmetric or two-dimensional models, and of the conditions on the flat surface of a blunt wedge. The primary purpose of the code is to describe the flow conditions and test conditions in electric arc heated wind tunnels.

Bade, W. L.↗
NASA NTRS1990

Viscous-shock-layer solutions with coupled radiation and ablation injection for earth entry

Results are obtained for the forebody of a planetary exploration vehicle entering the earth's atmosphere. A viscous-shock-layer analysis is used assuming the flow to be laminar and in chemical equilibrium. Presented results include coupled radiation and ablation injection. This study further includes the effect of different transport and thermodynamic properties and radiation models. A Lewis number of 1.4 appears adequate for the radiation-dominated flows. Five velocities corresponding to different possible trajectory points at an altitude of 70 km have been further analyzed in detail. Sublimation and radiative equilibrium wall temperatures are employed for cases with and without coupled injection, respectively. For the cases analyzed here, the mass injection rates are small. However, the rates could become large if a lower altitude is used for aerobraking and/or the body size is increased. A comparison of the equilibrium results with finite-rate chemistry calculation shows the flowfield to be in chemical equilibrium.

Gupta, Roop N.↗