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Results for “nonequilibrium chemistry”

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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Preliminary thermal analysis for Saturn entry

A preliminary thermal analysis based on recently defined Saturn entry conditions has been conducted. The study, using viscous-shock-layer and engineering codes employed for Project Galileo, investigated nonequilibrium chemistry effects on the Saturn thermal environment, defined the primary heat-transfer mode for heatshield design, delineated some problem areas for future thermal studies, and validated BIRCHES (Blunt Body Inviscid Radiative and Convective Heating Engineering Solutions) for parametric or design studies. The effect of nonequilibrium chemistry appears to significantly influence only the radiative fluxes with effects localized to the stagnation region. However, the heat-transfer mode pertinent to the overall heat-shield design is convection. The convective results of BIRCHES and a detailed code are in good agreement. The resulting mass-loss rates for the currently prescribed nominal Saturn entry conditions are small when compared with the values for nominal Jupiter entry conditions. With coupled carbon-phenolic ablation injection, the convective heating rates are reduced substantially while the radiative heating rates are increased when compared with the corresponding no-injection results.

Zoby, E. V.↗
NASA NTRS1991

A numerical study of shock wave/boundary layer interaction in nonequilibrium chemically reacting air - The effects of catalytic walls

This paper presents a numerical study that investigate the effects of nonequilibrium chemistry, and in particular, wall catalycity on the separated flow region generated by an oblique shock wave impinging upon a flat plate boundary layer. To obtain a solution to this problem, the full two dimensional Navier-Stokes equations were solved using MacCormack's predictor-corrector time dependent technique on a rectangular grid. Nonequilibrium chemistry was included by utilizing the 5 species, 17 reaction modified Dunn-Kang chemical kinetics model. Separate results were obtained for: calorically perfect, chemically reacting - noncatalytic wall, and chemically reacting - fully catalytic wall cases, for a given set of flow conditions. A direct comparison of all three cases revealed a slight decrease in the peak heat transfer for the noncatalytic wall case, as compared to the calorically perfect case. On the other hand, the fully catalytic wall case had a tremendous increase in the peak surface heat transfer. It is concluded that, for the particular conditons treated here (nearly frozen flow in the free stream), the effects of the nonequilibrium chemically reacting flow on the shock-wave/boundary-layer interaction depend critically on the catalycity of the wall, having virtually no effect for the case of a noncatalytic wall, and exerting a tremendous effect for a fully catalytic wall.

Grumet, Adam A.↗
DOE OSTI2020

Beyond Equilibrium Temperature: How the Atmosphere/Interior Connection Affects the Onset of Methane, Ammonia, and Clouds in Warm Transiting Giant Planets

The atmospheric pressure–temperature profiles for transiting giant planets cross a range of chemical transitions. Here we show that the particular shapes of these irradiated profiles for warm giant planets below ~1300 K lead to striking differences in the behavior of nonequilibrium chemistry compared to brown dwarfs of similar temperatures. Our particular focus is H 2 O, CO, CH 4 , CO 2 , and NH 3 in Jupiter- and Neptune-class planets. We show that the cooling history of a planet, which depends most significantly on planetary mass and age, can have a dominant effect on abundances in the visible atmosphere, often swamping trends one might expect based on T eq alone. The onset of detectable CH 4 in spectra can be delayed to lower T eq for some planets compared to equilibrium, or pushed to higher T eq . The detectability of NH 3 is typically enhanced compared to equilibrium expectations, which is opposite to the brown dwarf case. We find that both CH 4 and NH 3 can become detectable at around the same T eq (at T eq values that vary with mass and metallicity), whereas these “onset” temperatures are widely spaced for brown dwarfs. We suggest observational strategies to search for atmospheric trends and stress that nonequilibrium chemistry and clouds can serve as probes of atmospheric physics. As examples of atmospheric complexity, we assess three Neptune-class planets, GJ 436b, GJ 3470b, and WASP-107, all around T eq = 700 K. Tidal heating due to eccentricity damping in all three planets heats the deep atmosphere by thousands of degrees and may explain the absence of CH 4 in these cool atmospheres. Atmospheric abundances must be interpreted in the context of physical characteristics of the planet.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

A survey of upwind methods for flows with equilibrium and non-equilibrium chemistry and thermodynamics

Several versions of flux-vector split and flux-difference split algorithms were compared with regard to general applicability and complexity. Test computations were performed using curve-fit equilibrium air chemistry for an M = 5 high-temperature inviscid flow over a wedge, and an M = 24.5 inviscid flow over a blunt cylinder for test computations; for these cases, little difference in accuracy was found among the versions of the same flux-split algorithm. For flows with nonequilibrium chemistry, the effects of the thermodynamic model on the development of flux-vector split and flux-difference split algorithms were investigated using an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Several numerical examples are presented, including nonequilibrium air chemistry in a high-temperature shock tube and nonequilibrium hydrogen-air chemistry in a supersonic diffuser.

Grossman, B.↗
NASA NTRS1990

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

The primary tasks during January 1990 to June 1990 have been the development and evaluation of various electron and electron-electronic energy equation models, the continued development of improved nonequilibrium radiation models for molecules and atoms, and the continued development and investigation of precursor models and their effects. In addition, work was initiated to develop a vibrational model for the viscous shock layer (VSL) nonequilibrium chemistry blunt body engineering code. Also, an effort was started associated with the effects of including carbon species, say from an ablator, in the flowfield.

Carlson, Leland A.↗
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 NTRS1989

Flux splitting algorithms for two-dimensional viscous flows with finite-rate chemistry

The Roe flux difference splitting method was extended to treat 2-D viscous flows with nonequilibrium chemistry. The derivations have avoided unnecessary assumptions or approximations. For spatial discretization, the second-order Roe upwind differencing is used for the convective terms and central differencing for the viscous terms. An upwind-based TVD scheme is applied to eliminate oscillations and obtain a sharp representation of discontinuities. A two-state Runge-Kutta method is used to time integrate the discretized Navier-Stokes and species transport equations for the asymptotic steady solutions. The present method is then applied to two types of flows: the shock wave/boundary layer interaction problems and the jet in cross flows.

Shuen, Jian-Shun↗
NASA NTRS1991

Nonequilibrium chemical and radiation coupling phenomena in AOTV flowfields

A flowfield model for the nonequilibrium stagnation region of high altitude entry vehicles which includes nonequilibrium chemistry, multitemperature, viscous, conduction, and diffusion effects is presented. It contains coupled nongray nonequilibrium radiative transfer for atoms and molecules and local thermodynamic nonequilibrium phenomena. Comparison with Fire 2 flight data verifies that the model is reasonably accurate; and it has been applied to two AFE trajectory points, a high speed return from Mars, a series of points at 80 km for 12 to 16 km/sec, and three altitudes at 16 km/sec. Based on these results shock slip is significant, radiation cooling/coupling is minor at AFE conditions but important by 14 km/sec and dominant at 16 km/sec, radiation for the AFE is small but important and primarily molecular, above 12 km/sec atomic radiation is a significant or dominant portion of the total heating, and local thermodynamic nonequilibrium is important and should be included in all models.

Carlson, Leland A.↗
NASA NTRS1989

Flux splitting algorithms for two-dimensional viscous flows with finite-rate chemistry

The Roe flux-difference splitting method has been extended to treat two-dimensional viscous flows with nonequilibrium chemistry. The derivations have avoided unnecessary assumptions or approximations. For spatial discretization, the second-order Roe upwind differencing is used for the convective terms and central differencing for the viscous terms. An upwind-based TVD scheme is applied to eliminate oscillations and obtain a sharp representation of discontinuities. A two-stage Runge-Kutta method is used to time integrate the discretized Navier-Stokes and species transport equations for the asymptotic steady solutions. The present method is then applied to two types of flows: the shock wave/boundary layer interaction problems and the jet in cross flows.

Shuen, Jian-Shun↗
NASA NTRS2003

Non-Equilibrium Thermodynamic Chemistry and the Composition of the Atmosphere of Mars

A high priority objective of the Mars Exploration Program is to Determine if life exists today (MEPAG Goal I, Objective A). The measurement of gases of biogenic origin may be an approach to detect the presence of microbial life on the surface or subsurface of Mars. Chemical thermodynamic calculations indicate that on both Earth and Mars, certain gases should exist in extremely low concentrations, if at all. Microbial metabolic activity is an important non-equilibrium chemistry process on Earth, and if microbial life exists on Mars, may be an important nonequilibrium chemistry process on Mars. The non-equilibrium chemistry of the atmosphere of Mars is discussed in this paper.

J S Levine↗
NASA NTRS1983

Space Shuttle heating analysis with variation in angle of attack and surface condition

The effects of variations in the angle of attack and surface catalycity condition on the Space Shuttle surface heating along the windward centerline are evaluated. Further, the time history of the nonequilibrium-to-equilibrium surface heating ratio and the boundary edge quantities are analyzed. Results show that a + or - 5% change in the angle of attack does not appreciably influence either the nonequilibrium heating or the nonequilibrium-to-equilibrium heat transfer ratio at higher (75 km) or lower (48 km) altitudes. The variation in the recombination rate parameter is found to affect the surface heating most at an altitude of about 75 km for the STS-2 flight. A maximum reduction of 49% in heating due to nonequilibrium chemistry is obtained at about a 75 km altitude in the nose region of the Orbiter for the STS-2 flight data. In addition, the nonequilibrium effects at the boundary layer edge are found to become less significant for altitudes less than 65 km even though the boundary layer flow may still be in nonquilibrium.

Gupta, R. N.↗
NASA NTRS1975

Finite-rate chemistry effects upon convective and radiative heating of an atmospheric entry vehicle

A mathematical model of the aerothermochemical environment along the stagnation line of a planetary return spacecraft using an ablative thermal protection system was developed and solved for conditions typical of atmospheric entry from planetary missions. The model, implemented as a FORTRAN 4 computer program, was designed to predict viscous, reactive and radiative coupled shock layer structure and the resulting body heating rates. The analysis includes flow field coupling with the ablator surface, binary diffusion, coupled line and continuum radiative and equilibrium or finite rate chemistry effects. The gas model used includes thermodynamic, transport, kinetic and radiative properties of air and ablation product species, including 19 chemical species and 16 chemical reactions. Specifically, the impact of nonequilibrium chemistry effects upon stagnation line shock layer structure and body heating rates was investigated.

Guillermo, P.↗
NASA NTRS1993

Studies on nonequilibrium phenomena in supersonic chemically reacting flows

This study deals with a systematic investigation of nonequilibrium processes in supersonic combustion. The two-dimensional, elliptic Navier-Stokes equations are used to investigate supersonic flows with nonequilibrium chemistry and thermodynamics, coupled with radiation, for hydrogen-air systems. The explicit, unsplit MacCormack finite-difference scheme is used to advance the governing equations in time, until convergence is achieved. For a basic understanding of the flow physics, premixed flows undergoing finite rate chemical reactions are investigated. Results obtained for specific conditions indicate that the radiative interactions vary substantially, depending on reactions involving HO2 and NO species, and that this can have a noticeable influence on the flowfield. The second part of this study deals with premixed reacting flows under thermal nonequilibrium conditions. Here, the critical problem is coupling of the vibrational relaxation process with the radiative heat transfer. The specific problem considered is a premixed expanding flow in a supersonic nozzle. Results indicate the presence of nonequilibrium conditions in the expansion region of the nozzle. This results in reduction of the radiative interactions in the flowfield. Next, the present study focuses on investigation of non-premixed flows under chemical nonequilibrium conditions. In this case, the main problem is the coupled turbulence-chemistry interaction. The resulting formulation is validated by comparison with experimental data on reacting supersonic coflowing jets. Results indicate that the effect of heat release is to lower the turbulent shear stress and the mean density. The last part of this study proposes a new theoretical formulation for the coupled turbulence-radiation interactions. Results obtained for the coflowing jets experiment indicate that the effect of turbulence is to enhance the radiative interactions.

Tiwari, S. N.↗
NASA NTRS1989

The effect of electron temperature and impact ionization on Martian return AOTV flowfields

Various electron impact ionization models in conjunction with a quasi-equilibrium electron temperature model have been investigated and applied to the stagnation region of a hypothetical 2.3 m nose radius Martian return AOTV. For the conditions considered, U = 12 km/sec at 80 km, both multi-temperature inviscid and viscous results indicate that a two-step ionization impact model predicts ionization distances in agreement with experimental data, that nonequilibrium chemistry and radiation effects are important throughout the stagnation zone, and that the quasi-equilibrium electron temperature model is reasonable. Also, using a non-grey emission-absorption radiation step model, it is shown that nonequilibrium causes a reduction in radiative heating from that predicted for equilibrium conditions and that compared to an adiabatic wall a cool wall (1650 deg K) results in a 28 to 45 percent reduction in radiative heating due to absorption near the wall.

Carlson, Leland A.↗
NASA NTRS1989

Experimental and computational results for 5 degree blunt cones with shock generators at high velocity

Experiments and computations have been performed under laminar conditions in air on 5-deg blunt cones at velocities of 5 km/s and 6 km/s and at Reynolds numbers of 100,000 and 1 million. The computations were performed using ideal-, equilibrium- and nonequilibrium-chemistry models for air. At the conditions of the tests, the aerodynamic coefficients are sensitive to the real-gas effects present, and both experimental and computational aerodynamic coefficients show real-gas and nonlinear effects. The nonequilibrium computations show that a large amount of oxygen is dissociated in the blunt nose region of the flow and much of the oxygen remains dissociated over the entire length of the body, providing an insight into the source of the observed effects in the aerodynamic coefficients. The experimental and computational shock-shapes are in good agreement.

Strawa, A. W.↗
NASA NTRS2007

Moderate-Resolution Spitzer Infrared Spectrograph Observations of M, L, and T Dwarfs

We present 10-19 micrometers moderate-resolution spectra of 10 M dwarfs, one L dwarf, and two T dwarf systems obtained with the Infrared Spectrograph (IRS) on board the Spitzer Space Telescope. The IRS allows us to examine molecular spectroscopic features/lines at moderate spectral resolution in a heretofore untapped wavelength regime. These R = (lamda)/(Delta)(lamda) approximately equal to 600 spectra allow for a more detailed examination of clouds and nonequilibrium chemistry, as well as the molecular features of H2O, NH3, and other trace molecular species that are the hallmarks of these objects. A cloud-free model best fits our mid-infrared spectrum of the T1 dwarf (Sigma) Indi Ba, and we find that the NH3 feature in (Sigma) Indi Bb is best explained by a nonequilibrium abundance due to vertical transport in its atmosphere.We examined a set of objects (mostly M dwarfs) in multiple systems to look for evidence of emission features, which might indicate an atmospheric temperature inversion, as well as trace molecular species; however, we found no evidence of either.

low mass brown dwarfs↗
NASA NTRS1988

An analytical study of the hydrogen-air reaction mechanism with application to scramjet combustion

A chemical kinetic mechanism for the combustion of hydrogen has been assembled and optimized by comparing the observed behavior as determined in shock tube and flame studies with that predicted by the mechanism. The reactions contained in the mechanism reflect the current state of knowledge of the chemistry of the hydrogen/air system, and the assigned rate coefficients are consistent with accepted values. It was determined that the mechanism is capable of satisfactorily reproducing the experimental results for a range of conditions relevant to scramjet combustion. Calculations made with the reaction mechanism for representative scramjet combustor conditions at Mach 8, 16, and 25 showed that chemical kinetic effects can be important and that combustor models which use nonequilibrium chemistry should be used in preference to models that assume equilibrium chemistry. For the conditions examined the results also showed the importance of including the HO2 chemistry in the mechanism. For Mach numbers less than 16, the studies suggest that an ignition source will most likely be required to overcome slow ignition chemistry. At Mach 25, the initial temperature and pressure was high enough that ignition was rapid and the presence of an ignition source did not significantly affect reaction rates.

Jachimowski, Casimir J.↗