Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “equilibrium 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.

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

At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Computer simulation of surface and film processes

All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

Tiller, W. A.↗
NASA NTRS1985

Cloud optical thickness feedbacks in the CO2 climate problem

A radiative-convective equilibrium model is developed and applied to study cloud optical thickness feedbacks in the CO2 climate problem. The basic hypothesis is that in the warmer and moister CO2-rich atmosphere, cloud liquid water content will generally be larger than at present, so that cloud optical thickness will be larger too. For clouds other than thin cirrus, the result is to increase the albedo more than to increase the greenhouse effect. Thus the sign of the feedback is negative: cloud optical properties alter in such a way as to reduce the surface and tropospheric warming caused by the addition of CO2. This negative feedback can be substantial. When observational estimates of the temperature dependence of cloud liquid water content are employed in the model, the surface temperature change due to doubling CO2 is reduced by about one half.

Somerville, R. C. J.↗
NASA NTRS1986

Post-perihelion observations of water in comet Halley

An ambitious postperihelion observational program has been carried out which significantly extends the scope of the Halley water investigation. The spectral bandwidth of the postperihelion data included essentially all of the nu3 band. Fifteen spectral lines of water were detected, including three previously undetected lines in the nu3 band and three lines in the (011-010) band. The observed relative intensities illustrate that water in the cometary coma is rotationally relaxed, as predicted by recent nonthermal equilibrium models. An ortho/para ratio of about three is consistent with both pre- and postperihelion data. The water spatial brightness profile can be fit by that of a parent molecule, and a significant sunward-tailward brightness asymmetry was observed which suggests ejection primarily into the sunlit hemisphere. Comet Halley exhibited marked temporal activity on time scales as short as two hours. The largest water production rate measured was 2.3 x 10 to the 30th mol/s on 24:18 UT in March 1986, which is about an order of magnitude or more larger than the production rates measured preperihelion at the same heliocentric distance, indicating a large pre- to postperihelion asymmetry in gas production.

Weaver, H. A.↗
NASA NTRS1987

Circumstellar chemistry

The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant. A summary of observations and a discussion of theoretical considerations concerning the chemistry are summarized. Recent theoretical considerations show that the thermal equilibrium model is of limited use for understanding the chemistry of the outer CS envelopes. The theoretical modeling of the chemistry of CS envelopes provides a quantitive test of chemical concepts which have a broader interest than the envelopes themselves.

Glassgold, Alfred E.↗
NASA NTRS1987

The role of aqueous chemistry in determining the composition and cloud structure of the upper troposphere on Uranus

Aqueous chemistry on Uranus affects the atmospheric abundances of NH3 and H2S below the methane cloud base. Here a complete thermochemical equilibrium model for the H2O-NH3-H2S system is presented. Inclusion of H2S increases the aqueous removal of NH3 to 20-30 percent, but aqueous chemistry alone cannot account for the depletion of NH3 in the 150-200-K region of the atmosphere required to fit microwave observations. Formation of NH4SH clouds can account for the observed depletion provided the H2S/NH3 ratio is enhanced by a factor of 4 relative to solar. Perturbations to the chemical balance between N and S, for example by the general circulation on Uranus, would then produce regions with either NH3 or H2S aloft.

Carlson, Barbara E.↗
NASA NTRS1987

Estimated impact shock production of N2 and organic compounds on early Titan

The present consideration of Uranus-Neptune planetesimal bombardment of Titan notes that shock-product chemical equilibrium modeling can credit impact energy for the generation of large amounts of N2 and organic compounds. The kinetic inhibition of graphite formation in the shocked gas would have enhanced the yield of radicals and organics, and the resulting carbonaceous soot/condensed hydrocarbon mixture would have settled onto the surface to form a layer with an eventual depth of hundreds of meters. Shock conversion of NH3 into N2 bypasses the difficulties of other N2-production schemes, and is suggested to have been of exceptionally great importance in the atmospheric evolution of Titan.

Jones, Thomas D.↗
NASA NTRS1987

Cloud chemistry on Jupiter

Chemical equilibrium models used currently to interpret observations of Jupiter are reexamined using new data defining thermal profiles, which are substantially different from those used in the previous models. A model is developed for the chemical reactions controlling the composition of the upper troposphere on Jupiter, specifically the cloud-forming region from 10 bar to 0.1 bar, which includes, for the first time, the effects of aqueous chemistry on the composition and the vertical distribution of many measurable species in the atmosphere, identifying the factors influencing their abundances above the H2O cloud. The thermodynamic data for potential condensates on Jupiter, i.e., NH3(s), NH4SH(s), (NH4)2S(s), and H2S(s), are reexamined, recognizing the lack of data on sulfides for the temperature range of interest on Jupiter. Vertical profiles of mixing ratios for CO2, H2S, NH3, and H2, obtained for several assumed bulk abundances with respect to solar, are presented.

Carlson, Barbara E.↗
NASA NTRS1988

Measurements of the gas temperature and iron abundance distribution in the Coma Cluster

The medium energy X-ray detectors onboard the EXOSAT Observatory have been used to determine the gas temperature at several positions in the Coma Cluster of galaxies. Evidence is found at greater than 95 percent confidence for a higher temperature in the center of the cluster than in a position approximately 45 arcmin off-center. No difference in iron abundance is observed between the center and off-center regions and the equilibrium model for the distribution of elements in the Coma Cluster of Abramopoulos, Chanan, and Ku can be rejected with greater than 99.5 percent confidence, in favor of a model with more uniform composition. A phenomenological model is presented of the Coma Cluster, which is consistent with the data presented here, as well as the imaging data from the Einstein Observatory and the Tenma X-ray spectrum. The model has a central isothermal region of temperature about 9 keV extending to about 25 arcmin (about 1 Mpc). Beyond this radius the temperature falls as a polytrope with index about 1.6.

Hughes, John P.↗
NASA NTRS1990

The applications of chemical thermodynamics and chemical kinetics to planetary atmospheres research

A review of the applications of chemical thermodynamics and chemical kinetics to planetary atmospheres research during the past four decades is presented with an emphasis on chemical equilibrium models and thermochemical kinetics. Several current problems in planetary atmospheres research such as the origin of the atmospheres of the terrestrial planets, atmosphere-surface interactions on Venus and Mars, deep mixing in the atmospheres of the gas giant planets, and the origin of the atmospheres of outer planet satellites all require laboratory data on the kinetics of thermochemical reactions for their solution.

Fegley, Bruce, Jr.↗
NASA NTRS1989

Uranus deep atmosphere revealed

The present examination of the radio spectrum and latitudinal radio brightness temperature variation of Uranus leads to a ejection of thermochemical equilibrium models and the adoption of an atmospheric model characterized by a low ammonia volume-mixing ratio that is uniformly distributed over a wide altitude range. The elemental ratios derivable from this model support the planetary accretion theory of Pollack and Bodenheimer (1989). It is noted that while the equatorial and midlatitude values of Uranian radio brightness temperature are explainable by condensation theories, the polar value can only be accounted for through the invocation of strong, dry air downdrafts.

De Pater, Imke↗
NASA NTRS1990

The possible nature of socket stars in H II regions

Close inspection of faint stars (V of about 14 mag) in H II regions show that they appear to be surrounded by circumstellar envelopes of about 10 arcsecs in diameter (as reported by Feibelman in 1989). The present premise is that the sockets are envelopes of obscuring dust which should emit a measurable amount of infrared radiation based on a simple thermal equilibrium model. A search of literature shows that, of 36 socket stars listed by Feibelman, 17 have been measured in the infrared. Of the 17, 14 show excess IR emission. This is very strong evidence that the socket stars are really stars with circumstellar envelopes. Socket stars may be a new type of astronomical object or well-known astronomical objects in environments or evolutionary states not previously seen.

Castelaz, Michael W.↗
NASA NTRS1990

Discovery of molecular hydrogen fluorescence in the diffuse interstellar medium

The first detection of molecular hydrogen fluorescence in the diffuse interstellar medium is reported. Using the Berkeley UVX Shuttle Spectrometer, H2 Lyman band fluorescence has been observed in four directions, each with high significance. Molecular hydrogen fluorescence is detected in all directions that have previously been found to contain significant CO emission. A simple equilibrium model has been developed that includes attenuation of the incident UV radiation field by H2 line and dust continuum absorption. Evidence is found that the gas in the CO emission portions of the clouds may be clumpy, with a filling factor less than 0.2 and an average density greater than 30/cu cm in most cases.

Martin, Christopher↗
NASA NTRS1990

Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.

Grossman, B.↗
NASA NTRS1990

Radiative forcing of climate by changes in the vertical distribution of ozone

Results from a one-dimensional radiative-convective equilibrium model (similar to that of Lacis et al., 1981) of surface-temperature changes induced by changes in the vertical distribution of O3 in the atmosphere are parameterized and applied to measurement data for the northern midlatitudes during the 1970s. The construction of the model is outlined, and the results are presented in tables and graphs and discussed in detail. It is found that decreases in O3 in the lower stratosphere in the 1970s caused atmospheric cooling greater than that due to CO2 (thus possibly obscuring the CO2 greenhouse effect) and surface cooling which outweighed the warming effect of increased O3 in the troposphere. The net surface cooling is shown to be equal to about half of the estimated CO2 warming effect for the period.

Lacis, Andrew A.↗
NASA NTRS1990

Si-Ge-metal ternary phase diagram calculations

Solution crystal growth and doping conditions of Si-Ge alloys used for high-temperature thermoelectric generation are determined here. Liquid-phase epitaxy (LPE) has been successfully employed recently to obtain single-crystalline homogeneous layers of Si-Ge solid solutions from a liquid metal solvent. Knowledge of Si-Ge-metallic solvent ternary phase diagrams is essential for further single-crystal growth development. Consequently, a thermodynamic equilibrium model was used to calculate the phase diagrams of the Si-Ge-M systems, including solid solubilities, where M is Al, Ga, In, Sn, Pb, Sb, or Bi. Good agreement between calculated liquidus and solidus data and experimental DTA and microprobe results was obtained. The results are used to compare the suitability of the different systems for crystal growth (by LPE-type process).

Fleurial, J. P.↗
NASA NTRS1991

Oxygen production by pyrolysis of lunar regolith

Oxygen was identified as the most important product of initial lunar materials processing efforts. A source of oxygen on the Moon provides an alternative to the costly transport of propellant to the Moon or to low earth orbit. Pyrolysis, or vapor-phase reduction, involves heating a feedstock to temperatures sufficient to decompose the constituent metal oxides and release oxygen. The process relies on the vaporization of metal oxides in the form of reduced suboxides or atomic species. The reduced species must then be condensed without re-oxidizing, yielding oxygen in the gas phase. The feasibility of obtaining oxygen from common lunar minerals was demonstrated using solar furnace experiments. These results are discussed together with chemical equilibrium models which were extended to include the multicomponent oxides used in experiments. For the first time, both experiments and theoretical models dealt with the complex oxides that make up potential lunar feedstocks. Two major conclusions are drawn from this preliminary work. First, unbeneficiated regolith is a suitable feedstock for pyrolysis. Second, the process can operate at moderate temperatures, circa 2000 K, which could be supplied by direct solar or electrical energy. In addition to these advantages in choice of feedstock and energy source, the pyrolysis process requires no chemicals or reagents, making it an attractive process for lunar oxygen production.

Senior, Constance L.↗
NASA NTRS1991

The Navy/NASA Engine Program (NNEP89): A user's manual

An engine simulation computer code called NNEP89 was written to perform 1-D steady state thermodynamic analysis of turbine engine cycles. By using a very flexible method of input, a set of standard components are connected at execution time to simulate almost any turbine engine configuration that the user could imagine. The code was used to simulate a wide range of engine cycles from turboshafts and turboprops to air turborockets and supersonic cruise variable cycle engines. Off design performance is calculated through the use of component performance maps. A chemical equilibrium model is incorporated to adequately predict chemical dissociation as well as model virtually any fuel. NNEP89 is written in standard FORTRAN77 with clear structured programming and extensive internal documentation. The standard FORTRAN77 programming allows it to be installed onto most mainframe computers and workstations without modification. The NNEP89 code was derived from the Navy/NASA Engine program (NNEP). NNEP89 provides many improvements and enhancements to the original NNEP code and incorporates features which make it easier to use for the novice user. This is a comprehensive user's guide for the NNEP89 code.

Plencner, Robert M.↗
NASA NTRS1991

Doppler indices of gas phase formation in hypobaric environments: Time-intensity analysis

A semi-quantitative method to analyze decompression data is described. It possesses the advantage that it allows a graded response to decompression rather than the dichotomous response generally employed. A generalized critical volume (C-V), or stoichiometric time-dependent equilibrium model is examined that relates the constant of the equation P sub i equals m P sub f plus b to variable tissue supersaturation and gas washout terms. The effects of the tissue ratio on gas phase formation indicate that a decreased ratio yields fewer individuals with Doppler detectable gas bubbles, but those individuals still present with Spencer Grade 3 or 4. This might indicate a local collapse of tissue saturation. The individuals with Grade 3 or 4 could be at risk for type 2 decompression sickness by transpulmonic arterialization. The primary regulator of the problems of decompression sickness is the reduction of local supersaturation, presumably governed by the presence and number of gas micronuclei. It is postulated that a reduction in these nuclei will favor a low incidence of decompression sickness in microgravity secondary to hypokinesia and adynamia.

Powell, Michael R.↗