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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

The computation of thermo-chemical nonequilibrium hypersonic flows

Several conceptual designs for vehicles that would fly in the atmosphere at hypersonic speeds have been developed recently. For the proposed flight conditions the air in the shock layer that envelops the body is at a sufficiently high temperature to cause chemical reaction, vibrational excitation, and ionization. However, these processes occur at finite rates which, when coupled with large convection speeds, cause the gas to be removed from thermo-chemical equilibrium. This non-ideal behavior affects the aerothermal loading on the vehicle and has ramifications in its design. A numerical method to solve the equations that describe these types of flows in 2-D was developed. The state of the gas is represented with seven chemical species, a separate vibrational temperature for each diatomic species, an electron translational temperature, and a mass-average translational-rotational temperature for the heavy particles. The equations for this gas model are solved numerically in a fully coupled fashion using an implicit finite volume time-marching technique. Gauss-Seidel line-relaxation is used to reduce the cost of the solution and flux-dependent differencing is employed to maintain stability. The numerical method was tested against several experiments. The calculated bow shock wave detachment on a sphere and two cones was compared to those measured in ground testing facilities. The computed peak electron number density on a sphere-cone was compared to that measured in a flight test. In each case the results from the numerical method were in excellent agreement with experiment. The technique was used to predict the aerothermal loads on an Aeroassisted Orbital Transfer Vehicle including radiative heating. These results indicate that the current physical model of high temperature air is appropriate and that the numerical algorithm is capable of treating this class of flows.

Candler, Graham↗
NASA NTRS1979

Sudden grain nucleation and growth in supernova and nova ejecta

The thermal conditions leading to the rapid nucleation and growth of dust in astronomical explosions are examined. The contribution to nucleation physics lies only in the clarification of the ambient conditions where it apparently occurs. In both nova and interior shells of supernovae, dust precipitates in gas densities of the order of 10 to the -14th g/cu cm a few months after the explosion. The ambient conditions differ widely, however. Supernova condensation occurs in a thermal equilibrium, with photons, ions, electrons, and grains having equal temperatures. In novae huge disequilibria exist, with photon and electron temperatures near 50,000 K, photon energy density near 750 K, and forming refractory grains near 1800 K. In neither type of explosion can the condensed matter easily maintain chemical equilibrium with the total system. Interesting isotopic anomalies are trapped in both types of refractory condensate in the interstellar medium. The nova provides the best astronomical laboratory for observing the condensation.

Clayton, D. D.↗
NASA NTRS1994

Self-organization of the earth's biosphere-geochemical or geophysiological?

We explore the implications of indicating the biosphere's self-organization by the trend over time of the net entropic flow from the Earth's surface, the actual physical boundary of virtually all biotic mass. This flow, derived from the radiative surface entropy budget, is approximately inversely related to the surface temperature when the solar incident flux remains constant. In the geophysiological ('gaian') interpretation, biospheric self-organization has increased with the progressive colonization of the continents and evolutionary developments in the land biota, as a result of surface cooling arising from biotic enhancement of weathering. The key site for this self-organization is at the interface between land and atmosphere, the soil, where carbon is sequestered by its reaction (as carbonic and organic acids) with calcium magnesium silicates. Along with disequilibrium (steady-state) levels of carbon dioxide in the atmosphere, the occurrence of differentiated soil is the critical material evidence for biospheric self-organization, whether it be geophysiological or geochemical (ie., purely result of inorganic reactions). The computed equilibrium levels of carbon dioxide and corresponding equilibrium temperatures in the past are dramatically different from the steady-state levels. With future solar luminosity increase, the biospheric capacity for climatic regulation will decrease, leading to the ending of self-organization some two billion years from now. The Earth's surface will then approach chemical equilibrium with respect to the carbonate-silicate cycle.

Schwartzman, David W.↗
NASA NTRS1998

Plants and somatic embryos in space: what have we learned?

Space provides a unique environment that can affect the interplay between cell cycle controls and environment and can thus modify the processes of cell division, development and growth. It is proposed that the chromosomal and nuclear abnormalities frequently encountered in cells of various plants exposed to space are due to a combination of factors including the biological status of the systems and the way in which they are grown, exposed to, and ultimately, the way in which they experience multiple stresses. The extent to which space-specific changes become manifest is dependent on the extent of pre-existing stresses in the system. This has become evident in a variety of plant species grown in space but has been particularly amenable to study using in vitro systems, especially in developing embryoids. The following observations allow us to harmonize disparate results from a variety of space experiments:- (a) the more completely developed a system, the less likely it is to show cell stress during growth; the less morphologically complex, the greater the vulnerability; (b) the size/"packaging" of the genome (karyotype) are significant experimental variables; plants with larger genomes (e.g. polyploids) seem to be more space-stress tolerant; (c) a single space-associated stress is inadequate to produce a significant adverse response unless the stress is severe, or a biological parameter necessary to 'amplify' it exists. On this view, an appropriate "stress match" with other non-equilibrium determinants, much like a 'tug of war', can result in genomic variations in space. All this emphasizes that fastidiously-controlled growing environments must be devised if one is to resolve the matter of direct versus indirect effects of space. Better understanding of the novel physico-chemical equilibrium phenomena associated with space will allow those interested in space cell and developmental biology to pick and choose procedures best suited to their exploitation for specific objectives.

Flight Experiment↗
NASA NTRS1992

Flux-split algorithms for hypersonic flows

This study reviews numerical techniques for the simulation of fluid flows spanning the range of reactive regimes, from local chemical equilibrium to full thermochemical non-equilibrium. In particular, characteristic-based algorithms are considered, of the flux-vector and the flux-difference type, which are becoming ever more popular due to their accurate rendition of physically complicated, shock-wave dominated flows. Consideration is given to the problems associated with modeling the thermo-chemical behavior of reactive mixtures of thermally perfect gases, and a few topics of current research are outlined.

Cinnella, P.↗
NASA NTRS2018

Hypersonic Chemically Reacting Boundary-Layer Stability using LASTRAC

Hypersonic boundary layer transition is critical to the design of all hypersonic vehicles due to its effect on the heat transfer into the vehicle surface and potential drag enhancement or reduction during reentry. Boundary layer transition and boundary layer stability analysis under hypersonic conditions has been studied for decades, yet there is ample room for improved accuracy and further investigations into the relevant phenomena. In this work, we present a recent implementation of chemical equilibrium, finite-rate chemistry, and thermochemical nonequilibrium capabilities into LASTRAC, an existing well-established boundary-layer stability analysis code. Verification against existing numerical results in the literature are presented. LASTRAC was previously able to address calorically perfect flows. By using solutions of the Parabolized Stability Equations (PSE) with chemical and thermal nonequilibrium, we are able to investigate the effects of chemical and thermal nonequilibrium on a variety of phenomena including stationary crossflow instability on a swept wing and 2nd mode instabilities over a wedge.

Kline, H. L.↗
NASA NTRS1980

Model calculations of the dayside ionosphere of Venus - Ionic composition

Comprehensive model calculations of the dayside ion density distributions were carried out and compared with results from the Pioneer Venus ion mass spectrometer. The coupled continuity and momentum equations were solved for O2(+), O(+), CO2(+), C(+), N(+), He(+), and H(+) densities for altitudes well away from the ionopause, where the horizontal transport terms are negligible. Chemical equilibrium solutions, describing conditions below about 200 km, were also obtained for N2(+), NO(+), and CO(+). The agreement between the model calculations of ion density and the measurements is good for some species, such as O(+), and rather poor for others, such as CO(+), indicating that while a basic understanding of the major chemical and physical processes controlling the composition and vertical distribution of the dayside Venus ionosphere, well below the ionopause, has been achieved, there are many important details requiring further investigations.

Nagy, A. F.↗
NASA NTRS1986

Rate constants for chemical reactions in high-temperature nonequilibrium air

In the nonequilibrium atmospheric chemistry regime that will be encountered by the proposed Aeroassisted Orbital Transfer Vehicle in the upper atmosphere, where air density is too low for thermal and chemical equilibrium to be maintained, the detailed high temperature air chemistry plays a critical role in defining radiative and convective heating loads. Although vibrational and electronic temperatures remain low (less than 15,000 K), rotational and translational temperatures may reach 50,000 K. Attention is presently given to the effects of multiple temperatures on the magnitudes of various chemical reaction rate constants, for the cases of both bimolecular exchange reactions and collisional excitation and dissociation reactions.

Jaffe, R. L.↗
NASA NTRS1994

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Radhakrishnan, Krishnan↗
NASA NTRS1994

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 3: Illustrative test problems

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Bittker, David A.↗
NASA NTRS1994

LSENS, a general chemical kinetics and sensitivity analysis code for homogeneous gas-phase reactions. 2: Code description and usage

LSENS, the Lewis General Chemical Kinetics Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 2 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 2 describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part 1 (NASA RP-1328) derives the governing equations describes the numerical solution procedures for the types of problems that can be solved by lSENS. Part 3 (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

Radhakrishnan, Krishnan↗
NASA NTRS1994

LSENS, A General Chemical Kinetics and Sensitivity Analysis Code for Homogeneous Gas-Phase Reactions: Code Description and Usage - Part 2

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part II of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part II describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part I (NASA RP-1328) derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved by LSENS. Part III (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

Radhakrishnan, Krishnan↗
NASA NTRS2001

Exobiochemistry

Exobiochemistry is the putative biochemistry of extraterrestrial life. It suggests the possible energy and material bases of extraterrestrial life and could help detect it. The diverse biochemistry of Earth indicates that a wide range of exobiochemistry is possible on other planets. An exobiochemistry will probably use the same energy sources as Earths ecology, light, biological organic material, and more rarely abiotic chemicals. Extraterrestrial life will be based on familiar chemical principles and probably capture, store, and release energy using oxidation-reduction reactions. Extraterrestrial life will give chemical indications of its existence. Key elements will be concentrated, stored, and recycled, altering their availability and isotopic composition. Any significant departure from chemical equilibrium would be good evidence for exobiochemistry, but an integrated system of departures from the expected equilibrium would be better. Exobiochemistry can be expected to include closed biogeochemical cycles of the major life supporting elements and may well show the complex dynamic close-coupled interactions that characterize the terrestrial biosphere. Terrestrial biochemistry provides a basis for generalization and extrapolation but it does not set bounds on exobiochemistry. In exobiochemistry we can expect: 1. closed chemical cycles that recycle materials, nutrients, and catalysts, 2. organisms with complementary metabolisms that cooperate to close the chemical cycles, 3. a high probability of a carbon and water chemistry, but some possibility of a non-carbon or non-water chemistry in extreme environments, and, 4. life similar to bacteria more prevalent than higher plants and animals.

Jones, Harry↗
NASA NTRS2012

Experimental and Modeling Investigation of the Effect of Air Preheat on the Formation of NOx in an RQL Combustor

The Rich-burn/Quick-mix/Lean-burn (RQL) combustor concept has been proposed to minimize the formation of oxides of nitrogen (NOx) in gas turbine systems. The success of this low-NOx combustor strategy is dependent upon the links between the formation of NOx, inlet air preheat temperature, and the mixing of the jet air and fuel-rich streams. Chemical equilibrium and kinetics modeling calculations and experiments were performed to further understand NOx emissions in an RQL combustor. The results indicate that as the temperature at the inlet to the mixing zone increases (due to preheating and/or operating conditions) the fuel-rich zone equivalence ratio must be increased to achieve minimum NOx formation in the primary zone of the combustor. The chemical kinetics model illustrates that there is sufficient residence time to produce NOx at concentrations that agree well with the NOx measurements. Air preheat was found to have very little effect on mixing, but preheating the air did increase NOx emissions significantly. By understanding the mechanisms governing NOx formation and the temperature dependence of key reactions in the RQL combustor, a strategy can be devised to further reduce NOx emissions using the RQL concept.

Gas Turbine Engines↗
NASA NTRS1992

A two-phase restricted equilibrium model for combustion of metalized solid propellants

An Eulerian-Lagrangian two-phase approach was adopted to model the multi-phase reacting internal flow in a solid rocket with a metalized propellant. An Eulerian description was used to analyze the motion of the continuous phase which includes the gas as well as the small (micron-sized) particulates, while a Lagrangian description is used for the analysis of the discrete phase which consists of the larger particulates in the motor chamber. The particulates consist of Al and Al2O3 such that the particulate composition is 100 percent Al at injection from the propellant surface with Al2O3 fraction increasing due to combustion along the particle trajectory. An empirical model is used to compute the combustion rate for agglomerates while the continuous phase chemistry is treated using chemical equilibrium. The computer code was used to simulate the reacting flow in a solid rocket motor with an AP/HTPB/Al propellant. The computed results show the existence of an extended combustion zone in the chamber rather than a thin reaction region. The presence of the extended combustion zone results in the chamber flow field and chemical being far from isothermal (as would be predicted by a surface combustion assumption). The temperature in the chamber increases from about 2600 K at the propellant surface to about 3350 K in the core. Similarly the chemical composition and the density of the propellant gas also show spatially non-uniform distribution in the chamber. The analysis developed under the present effort provides a more sophisticated tool for solid rocket internal flow predictions than is presently available, and can be useful in studying apparent anomalies and improving the simple correlations currently in use. The code can be used in the analysis of combustion efficiency, thermal load in the internal insulation, plume radiation, etc.

Sabnis, J. S.↗
NASA NTRS2002

Computational Thermochemistry of Jet Fuels and Rocket Propellants

The design of new high-energy density molecules as candidates for jet and rocket fuels is an important goal of modern chemical thermodynamics. The NASA Glenn Research Center is home to a database of thermodynamic data for over 2000 compounds related to this goal, in the form of least-squares fits of heat capacities, enthalpies, and entropies as functions of temperature over the range of 300 - 6000 K. The chemical equilibrium with applications (CEA) program written and maintained by researchers at NASA Glenn over the last fifty years, makes use of this database for modeling the performance of potential rocket propellants. During its long history, the NASA Glenn database has been developed based on experimental results and data published in the scientific literature such as the standard JANAF tables. The recent development of efficient computational techniques based on quantum chemical methods provides an alternative source of information for expansion of such databases. For example, it is now possible to model dissociation or combustion reactions of small molecules to high accuracy using techniques such as coupled cluster theory or density functional theory. Unfortunately, the current applicability of reliable computational models is limited to relatively small molecules containing only around a dozen (non-hydrogen) atoms. We propose to extend the applicability of coupled cluster theory- often referred to as the 'gold standard' of quantum chemical methods- to molecules containing 30-50 non-hydrogen atoms. The centerpiece of this work is the concept of local correlation, in which the description of the electron interactions- known as electron correlation effects- are reduced to only their most important localized components. Such an advance has the potential to greatly expand the current reach of computational thermochemistry and thus to have a significant impact on the theoretical study of jet and rocket propellants.

Crawford, T. Daniel↗
NASA NTRS2004

Chemical and Isotopic Study of Lab-formed Carbonates Under Cryogenic and Hydrothermal Conditions

Aqueous environments on early Mars were probably relatively short-lived and localized, as evidenced by the lack of abundant secondary minerals detected by the TES instrument. In order to better understand the aqueous history of early Mars we need to be able to interpret the evidence preserved in secondary minerals formed during these aqueous events. Carbonate minerals, in particular, are important secondary minerals for interpreting past aqueous environments as illustrated by the carbonates preserved in ALH84001. Carbonates formed in short-lived, dynamic aqueous events often preserve kinetic rather than equilibrium chemical and isotopic processes, and predicting the behavior of such systems is facilitated by empirical data.

Niles, P. B.↗
NASA NTRS2017

Sonora: A New Generation Model Atmosphere Grid for Brown Dwarfs and Young Extrasolar Giant Planets

Brown dwarf and giant planet atmospheric structure and composition has been studied both by forward models and, increasingly so, by retrieval methods. While indisputably informative, retrieval methods are of greatest value when judged in the context of grid model predictions. Meanwhile retrieval models can test the assumptions inherent in the forward modeling procedure. In order to provide a new, systematic survey of brown dwarf atmospheric structure, emergent spectra, and evolution, we have constructed a new grid of brown dwarf model atmospheres. We ultimately aim for our grid to span substantial ranges of atmospheric metallilcity, C/O ratios, cloud properties, atmospheric mixing, and other parameters. Spectra predicted by our modeling grid can be compared to both observations and retrieval results to aid in the interpretation and planning of future telescopic observations. We thus present Sonora, a new generation of substellar atmosphere models, appropriate for application to studies of L, T, and Y-type brown dwarfs and young extrasolar giant planets. The models describe the expected temperature-pressure profile and emergent spectra of an atmosphere in radiative-convective equilibrium for ranges of effective temperatures and gravities encompassing 200 less than or equal to T(sub eff) less than or equal to 2400 K and 2.5 less than or equal to log g less than or equal to 5.5. In our poster we briefly describe our modeling methodology, enumerate various updates since our group's previous models, and present our initial tranche of models for cloudless, solar metallicity, and solar carbon-to-oxygen ratio, chemical equilibrium atmospheres. These models will be available online and will be updated as opacities and cloud modeling methods continue to improve.

emergent spectra↗