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Results for “Equilibrium calculations”

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 NTRS1989

Collisional rate coefficients of C3H2 and the determination of physical conditions in molecular clouds

Collisional excitation rates for C3H2, calculated using the coupled states approximation at temperatures of 10-30 K, are presented. C3H2 produces a number of spectral line pairs whose members are close together in frequency but arise from levels with different excitation energies. The rates are used in statistical equilibrium calculations to illustrate the excitation properties and density-dependent behavior of various C3H2 line ratios.

Avery, L. W.↗
NASA NTRS1979

Ammonia photolysis and the greenhouse effect in the primordial atmosphere of the earth

Photochemical calculations indicate that in the prebiotic atmosphere of earth ammonia would have been irreversibly converted to N2 in less than 40 years if the ammonia surface mixing ratio were no more than 0.0001. However, if a continuous outgassing of ammonia were maintained, radiative-equilibrium calculations indicate that a surface mixing ratio of ammonia of 0.0001 or greater would provide a sufficient greenhouse effect to keep the surface temperature above freezing. With a 0.0001 mixing ratio of ammonia, 60% to 70% of the present-day solar luminosity would be adequate to maintain surface temperatures above freezing. A lower limit to the time constant for accumulation of an amount of nitrogen equivalent to the present day value is 10 my if the outgassing were such as to provide a continuous surface mixing ratio of ammonia of at least 0.00001.

Kuhn, W. R.↗
NASA NTRS1976

The Langley thermal protection system test facility: A description including design operating boundaries

A description of the Langley thermal protection system test facility is presented. This facility was designed to provide realistic environments and times for testing thermal protection systems proposed for use on high speed vehicles such as the space shuttle. Products from the combustion of methane-air-oxygen mixtures, having a maximum total enthalpy of 10.3 MJ/kg, are used as a test medium. Test panels with maximum dimensions of 61 cm x 91.4 cm are mounted in the side wall of the test region. Static pressures in the test region can range from .005 to .1 atm and calculated equilibrium temperatures of test panels range from 700 K to 1700 K. Test times can be as long as 1800 sec. Some experimental data obtained while using combustion products of methane-air mixtures are compared with theory, and calibration of the facility is being continued to verify calculated values of parameters which are within the design operating boundaries.

Klich, G. F.↗
NASA NTRS1993

Molecular equilibria and condensation sequences in carbon rich gases

Chemical equilibria in stellar atmospheres have been investigated by many authors. Lattimer, Schramm, and Grossman presented calculations in both O rich and C rich environments and predicted possible presolar condensates. A recent paper by Cherchneff and Barker considered a C rich composition with PAH's included in the calculations. However, the condensation sequences of C bearing species have not been investigated in detail. In a carbon rich gas surrounding an AGB star, it is often assumed that graphite (or diamond) condenses out before TiC and SiC. However, Lattimer et al. found some conditions under which TiC condenses before graphite. We have performed molecular equilibrium calculations to establish the stability fields of C(s), TiC(s), and SiC(s) and other high temperature phases under conditions of different pressures and C/O. The preserved presolar interstellar dust grains so far discovered in meteorites are graphite, diamond, SiC, TiC, and possibly Al2O3.

Sharp, C. M.↗
NASA NTRS1979

Statistical equilibrium in cometary C2. II - Swan/Phillips band ratios

Statistical equilibrium calculations have been made for both the triplet and ground state singlets for C2 in comets, using the exchange rate as a free parameter. The predictions of the results are consistent with optical observations and may be tested definitively by accurate observations of the Phillips and Swan band ratios. Comparison with the one reported observation indicates compatibility with a low exchange rate and resonance fluorescence statistical equilibrium.

Swamy, K. S. K.↗
NASA NTRS2012

Non-Equilibrium Properties from Equilibrium Free Energy Calculations

Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

Pohorille, Andrew↗
NASA NTRS1971

Opacity of tungsten-seeded hydrogen to 2500 K and 115 atmospheres.

Experimental investigation and measurement of the radiant heat attenuation of an aerosol which may serve as a gas core nuclear-rocket propellant. The experiment uses a tungsten-hydrogen aerosol heated to temperatures as high as 2500 K under pressures up to 115 atmospheres. The hydrogen aerosol is produced by dispersion of submicron-sized particles of tungsten in hydrogen gas. A narrow beam of broad spectrum (visible and ultraviolet) light is passed through it with the attenuation being measured as a function of wavelength. Other aerosol characteristics examined include the nature and extent of chemical reactions between the seed material and the hydrogen and the degree of dispersion of the seed material obtained before and after heating. Chemical equilibrium calculations and vapor pressure data for the refractory metals indicate that tungsten is a prime candidate for the seed material in the gas core nuclear rocket.

Williams, J. R.↗
NASA NTRS1975

Analysis of OSO data to determine the structure and energy balance of the solar chromosphere

A detailed reexamination of the temperature-density structure of the photosphere and low chromosphere shows that the middle and upper chromosphere, which directly emits most of the OSO spectrum, is sensitive to conditions in this underlying region of the atmosphere. A model of this region is based on a unified compilation of all recently published broadband flux and central intensity observations of the solar spectrum from 500 microns in the far infrared to 1220 A in the far ultraviolet. This extensive compilation includes the OSO 4 and 6 observations in the wavelength range 1400 to 1220 A. A model is presented of the quiet solar atmosphere in the height range between the temperature minimum and the upper part of the chromosphere-corona transition region. This model is based on statistical equilibrium calculations of H, He 1, He 2, Si 1, C 1, and other ions.

Avrett, E. H.↗
NASA NTRS1975

Sodium sulfate - Vaporization thermodynamics and role in corrosive flames

Mass spectrometer experiments were conducted to determine the thermodynamic properties of gaseous Na2SO4, and these data were used in a computer program to calculate equilibrium flame compositions and temperatures for representative turbine engine and burner rig flames. The work is important in that sodium sulfate is the major phase recovered from turbine surfaces after instances of corrosion, due to the presence of sulfur in fuels and sodium chloride in intake air.

Kohl, F. J.↗
NASA NTRS1975

The analysis of XUV emission lines

A technique for analyzing measurements of XUV spectral-line intensities is described. Application of the technique to OSO-4 and OSO-6 spectra indicates that the mean coronal temperature is 2.1 million K in typical active solar regions and that the mean coronal temperature in typical quiet regions ranges from 1.5 to 2.1 million K. One active-region spectrum shows evidence for substantial quantities of coronal material with temperatures between 2 and 3.5 million K. Measurements from limb spectra show evidence that (1) coronal abundances of N and O are low relative to heavier elements; or (2) that the ionization-equilibrium calculations used may contain systematic errors; or (3) that the XUV intensity measurements may be incorrectly calibrated.

Withbroe, G. L.↗