SEARCH · Engineering Papers

Results for “Dissociation”

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.

SourceResearch connectionFrom yearThrough year

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

At least 1,261 records · Page 70

All sources NASA NTRS DOE OSTI

NASA NTRS1990

Positronium ions and molecules

Recent theoretical studies on positronium ions and molecules are discussed. A positronium ion is a three particle system consisting of two electrons in singlet spin state, and a positron. Recent studies include calculations of its binding energy, positron annihilation rate, and investigations of its doubly excited resonant states. A positronium molecule is a four body system consisting of two positrons and two electrons in an overall singlet spin state. The recent calculations of its binding energy against the dissociation into two positronium atoms, and studies of auto-detaching states in positronium molecules are discussed. These auto-dissociating states, which are believed to be part of the Rydberg series as a result of a positron attaching to a negatively charged positronium ion, Ps-, would appear as resonances in Ps-Ps scattering.

Ho, Y. K.↗

NASA NTRS1990

Laboratory studies of photodissociation processes relevant to the formation of cometary radicals

The strength of the C2(d 3 Pi g yields a 3 Pi u) Swan band emission in the spectra of cometary comae identifies this species as a prominent constituent of the coma gas. It was previously suggested that the formation of cometary C2 proceeds via the secondary photolysis of the C2H radical. The detection of C2H in the interstellar medium and the recent analysis of the radial variation in C2(delta V=O) surface brightness of Comet Halley support the postulate that C2 is a third-generation molecule. Measurement of the C2 and C2H translational energy distributions produced from the multiphoton dissociation (MPD) of acetylene at 193 nm are identified . Time-resolved FTIR emission studies of the nascent C2H radical formed in the C2H2 yields C2H + H reaction verify that this species is produced both vibrationally and electronically excited. A survey of the internal energy distributions of the C2 fragments produced from the MPD of acetylene using a high intensity ArF laser is currently in progress in the laboratory. Recent experiments have focused on the measurement of rotational energy distribution for the C2(A 1 Pi u, a 3 Pi u) fragments. The C2(a 3 Pi u) detection capability is currently being improved by performing this experiment in a molecular beam, thus allowing for discrimination between initial emission and laser-induced fluorescence (LIF). Although the experiments performed to date provide considerable evidence in support of C2H yields C2 + H reaction, there is an important distinction to be made when comparing the laboratory conditions to those typically found in comets. The C2H radicals generated in the laboratory experiments are formed vibrationally and/or electronically excited. Any rotationally/vibrationally excited C2H present in cometary comae will quickly undergo radiative relaxation in the infrared to their lowest rotational and vibrational state. Experiments are currently under way to confirm the cometary formation of C2 via the VUV dissociation of cold C2H.

Urdahl, R. S.↗

NASA NTRS1990

An ionic mechanism of carbon formation in flames

The formation of incipient carbon in flames can be described by a series of elementary reactions in which the precursor of soot is the ion C3H3+, and the major building block is acetylene, polyacetylenes, or other hydrocarbon fragments which are present in large concentrations. The precursor ion is produced by nonequilibrium chemi-ionization reactions, e.g., CH asterisk plus C2H2 yields C3H3+ plus e or CH asterisk plus O yields CHO+ plus e. The CHO+ rapidly becomes C3H3+ through a series of ion-molecule reactions. The chemi-ion then adds acetylene in a series of very rapid ion-molecule reactions producing larger and larger ions. Ions isomerize very rapidly to produce aromatic structures overcoming one of the major problems with neutral species mechanisms: how to form the first carbon ring. As the ions grow, their recombination rate coefficients with electrons increase so that the larger ions are removed by dissociative recombination. These neutral species now continue to grow by the addition of more acetylene producing even larger neutral species. With increasing size, the rate coefficient of electron attachment also increases causing the reaction to become important, depending upon the temperature. Appreciable concentrations of negative ions shift the ion removal process to dissociative ion-ion recombination, which is orders of magnitude slower than ion-electron recombination. As the neutral species continue to grow by the addition of acetylene, they gradually take on the aspect of particles, i.e., the bulk properties of the substance CxHy dominate over the chemical properties. This change is gradual and there is no distinct size at which a large molecule becomes a particle. Evidence will be presented supporting the above mechanism. All of the ions proposed in the mechanism have been observed by mass spectrometric analysis, their concentrations measured, and their rates of reaction in the flame environment determined to be adequate to account for the observed rate of formation of carbon.

Calcote, H. F.↗

NASA NTRS1990

Hyperthermal atomic oxygen generator

Characterization of the transport properties of oxygen through silver was continued. Specifically, experiments measuring the transport through Ag(111), Ag(110), Ag(100) single crystals and through Ag0.05 Zr alloy were completed. In addition, experiments using glow discharge excitation of oxygen to assist in the transport were completed. It was found that the permeability through the different orientations of single crystal Ag was the same, but significant differences existed in the diffusivity. The experimental ratio of diffusivities, however, was in reasonable agreement with theoretical estimates. Since the solubilities of orientations must be the same, this suggests some problems with the assumption K = DS. The glow discharge experiments show that there is a substantial increase in transport (factor of six) when the upstream pressure is dissociated to some fraction of atoms (which have a much higher sticking coefficient). These results indicate that there is a significant surface limitation because of dissociative adsorption of the molecules. Experiments with the Ag0.05 Zr alloy and its high-grain boundary and defect density show a permeability of greater than a factor of two over ordinary polycrystalline Ag, but it is unclear as to whether this is because of enhanced transport through these defects or whether the Zr and defects on the surface increased the sticking coefficient and therefore the transport.

Khandelwal, Govind S.↗

NASA NTRS1989

The effects of solar particle events on the middle atmosphere

Solar particle events (SPEs) have been investigated since the late 1960's for possible effects on the middle atmosphere. Solar protons from SPEs produce ionizations, dissociations, dissociative ionizations, and excitations in the middle atmosphere. The production of HO(x) and NO(x) and their subsequent effects on ozone can also be computed using energy deposition and photochemical models. The effects of SPE-produced HO(x) species on the odd nitrogen abundance of the middle atmosphere as well as the SPE-produced long term effects on ozone. Model computations indicate fairly good agreement with ozone data for the SPE-induced ozone depletion caused by NO(y) species connected with the August 1972 SPE. The model computations indicate that NO(y) will not be substantially changed over a solar cycle by SPEs. The changes are mainly at high latitudes and are on time scales of several months, after which the NO(y) drifts back to its ambient levels.

Jackman, Charles H.↗

NASA NTRS1990

The red and green lines of atomic oxygen in the nightglow of Venus

O(1D) and O(1S), the excited states that give rise to the atomic oxygen red and green lines, are produced in the Venus nightglow in dissociative recombination of O2(+). The emissions should also be excited by precipitation of soft electrons, the suggested source of the 'auroral' emission features of atomic oxygen at 1304 and 1356 A, which have been reported from observations of the Pioneer Venus Orbiter Ultraviolet Spectrometer. No emisison at 6300 or 5577 A was detected, however, by the visible spectrophotometers on the Soviet spacecraft Veneras 9 and 10; upper limits have been placed on the intensities of these features. The constraints placed on models for the auroral production mechanism by the Venera upper limits by modeling the intensities of the red and green lines in the nightglow are evaluated, combining a model for the vibrational distribution of O2(+) on the nightside of Venus with rate coefficients recently computed by Guberman for production of O(1S) and O(1D) in dissociative recombination of O2(+) from different vibrational levels. The integrated overhead intensities are 1 - 2 R for the green line and about 46 R for the red line.

Fox, J. L.↗

NASA NTRS1989

Direct simulation of AFE forebody and wake flow with thermal radiation

Calculated results for the flowfield structure and surface quantities are presented for an axisymmetric representation of an aeroassist flight experiment vehicle. The direct simulation Monte Carlo (DSMC) method is used to perform the calculations, since the flow is highly nonequilibrium about the vehicle during both the compression and expansion phases. The body configuration is an elliptically blunt nose followed by a skirt with a circular radius and an afterbody. Freestream conditions correspond to a single point along the entry trajectory at an altitude of 90 km and a velocity of 9.9 km/s. The calculations account for nonequilibrium in the translational and internal modes, dissociation, ionization, and thermal radiation. The degree of dissociation is large, but the maximum ionization is only about 2 percent by mole fraction. The blunt forebody flow experiences a high degree of thermal nonequilibrium in which the translational temperature is generally greater than the internal temperature. However, as the flow expands about the aerobrake skirt and afterbody, the internal temperature is generally greater than the translational temperature.

Moss, James N.↗

NASA NTRS1990

Evolution of non-condensable gas in ammonia heat pipes

Accumulation of noncondensible gas (NCG) has been observed in ammonia heat pipes. NCG has been found to be detrimental to the performance of heat pipes and can result in complete operational failure. A kinetic and thermodynamic analysis has been performed that evaluates the dissociation of ammonia under various conditions and predicts the amount of NCG present in heat pipes. The analysis indicates that the observed NCG in ammonia heat pipes can be attributed to the dissociation of ammonia into its constituents, hydrogen and nitrogen. It shows time and temperature to be the important parameters, in conjunction with the catalytic characteristic of the container material.

Richter, Robert↗

NASA NTRS1990

The ionosphere of Triton

A model of the atmospheric temperature structure and composition inferred from the Voyager (UVS) solar occultations was used together with a one-dimensional chemical diffusive model to interpret the Voyager Radio Science Spectrometer (RSS) ingress measurements of Triton's electron density. Although N2(+) is the major ion created, N(+) produced by dissociative ionization is the dominant ion. Reaction of thermospheric H2, produced by Lyman-alpha dissociation of CH4 in the lower atmosphere, is the major loss for N(+) ions and maintains these ions in PCSS below 600 km. Solar EUV ionization cannot generate electron densities at the magnitude measured by the RSS experiment and an additional ionization source about 3 x 10 to the 8th ions/sq cm per sec is required. The ionosphere may undergo a transition from PCSS to diffusive control if the N(+) ion production rates were greater than the H2 flux derived from CH4. In this case, the upward flowing H2 is totally converted to H by reaction with N(+) and the remaining N(+) ions recombine radiatively to create an ionosphere under diffusive control above the peak.

Majeed, T.↗

NASA NTRS1990

MHD shocks in the ISM

Researchers survey shock solutions of a partially ionized gas with a magnetic field. The gas is modeled by interacting neutral, ion, electron and charged grain components. They employ a small neutral-ion chemical network to follow the dissociation and ionization of the major species. Cooling by molecular hydrogen (rotational, vibrational and dissociation), grains and dipole molecules is included. There are three basic types of solutions (C, C asterisk, and J) and some more complicated flows involving combinations of the basic types. The initial preshock conditions cover hydrogen nuclei densities of 1 less than n less than 10(exp 10) cm(-3) and shock velocities of 5 less than v(sub s) less than 60 km/s. The magnetic field is varied over 5 decades and the sensitivity of the results to grain parameters, UV and cosmic ray fluxes is ascertained. The parameter space is quite complicated, but there exist some simple divisions. When the initial ionization fraction is small (chi sub i less than 10(-5)), there is a sharp transition between fully C solutions at low velocity and strong J solutions at high velocity. When the initial ionization fraction is larger, C asterisk and/or very weak J shocks are present at low velocities in addition to the C solutions. The flow again changes to strong J shocks at high velocities. When the ionization fraction is large and the flow is only slightly greater than the bulk Alfven velocity, there is a complicated mixture of C, C asterisk and J solutions.

Chernoff, D. F.↗

NASA NTRS1991

High resolution infrared astronomy satellite observations of a selected spiral galaxy

The H I, infrared, CO, H alpha and H beta band observations of M51, the prototypical grand-design spiral galaxy, are used to study the consequences of star formation for the distribution of H I and dust. Using the new Very Large Array (VLA) map of 21 cm emission, the Owens Valley Radio Observatory CO mosaic map, and an H alpha imate, new tests were performed with the idea of Tilanus and Allen that the H I is largely a photodissociation product in star-forming regions. It is confirmed that the H I spiral arms are generally coincident with the H II region arms, and offset downstream from the CO arms. The radial distributions of total gas, H alpha and H I surface density have a simple explanation in the dissociation picture. The distributions also demonstrate how the surface density of H I might be related to the star formation efficiency in molecule-rich galaxies. The large width of the H I regions along the arms compared to that of the giant H II regions can be understood in terms of a simple calculation of the expected size of an H I region associated with a typical giant H II region. The longer lifetime of the stars producing dissociating radiation vs. those producing ionizing radiation and the relatively long molecular formation timescale will also contribute to the greater width of the H I arms if stars are continuously forming on the arms. The lack of detailed coincidence of the H I and H II regions along the inner arms has a variety of possible explanations. Two simple tests were performed to probe the origins of the IRAS emission in M51. First, it was found that the infrared excess (IFE) of M51 is 24, suggesting that a substantial fraction of the infrared emission arises from dust heated by photons which do not originate in massive star-formaing regions. Second, radial cuts through the IRAS bands show that at 12, 25, and 60 microns, the arm-interarm contrast of the IRAS emission is substantially less than that of the H alpha emission, providing further evidence for the explanation and for the existence of a broadly distributed dust component. Deconvolved IRAS maps have improved resolution but do not change this finding.

Kulkarni, S. R.↗

NASA NTRS1991

Cometary implications of the internal energy distributions of the C2 and C3 radicals produced in the photolysis of the C2H and C3H2

The C2 and C3 radicals are prominent emission in the visible region of cometary spectra. Observational evidence exists that suggests these radicals are formed as granddaughter fragments in the photolysis of more stable molecules. Likely candidates for these parent molecules ar C2H2, C3H4 (allene), and CH3C2H (propyne). Recent laboratory studies were performed on all of these parent molecules and they indicate that they can indeed produce the observed cometary radicals. In the case of C2H2, the laboratory evidence suggest that C2 is formed via the following mechanisms: (1) C2H2 + photon(193 nm) yields C2H + H; and (2) C2H + photon(193 nm) yields C2 + H. Evidence is presented to show that the C2 radical produced in the second reaction occurs in a variety of electronic, vibrational, and rotational states. It is argued that this is a result of conical intersections in the potential energy curves and the density of states associated with these curves. Since this is a property of the C2H radical similar initial product state distributions are expected to occur in comets. This means that any models of the C2 emission may have to start off with rotationally excited C2 radicals in both the singlet and the triplet manifolds. When C3H4 (allene) and CH3C2H (propyne) were photolyzed, the C3 radical is formed. In the allene case, laboratory evidence shows that the C3 radical is formed via the following mechanism: (1) C3H4 + photon(193 nm) yields C3H2 + H2; and (2) C3H2 + photon(193 nm) yields C3 + H2. More C3 is formed in the case of allene than in the propyne case, even though the absorption cross section for propyne is a factor of 2 larger. This suggests that competing dissociation pathways are present during the photolysis of propyne that are not available to allene. The observed quantum state distributions of the C3 product were the same for both parent molecules, indicating that the same intermediate state is involved. These observations can be understood if the excited propyne formed in the initial absorption step isomerizes to excited allene before it dissociates to the same daughter compound. This postulate was tested by comparing RRKM calculations of the isomerization rate of excited propyne versus the decomposition rate to other products.

Jackson, William M.↗

NASA NTRS1991

Formation of ions and radicals from icy grains in comets

Ion and radical formation in comets are thought to occur primarily by photodissociation of gas phase molecules. Experimental evidence and theoretical calculations are presented that show that some of the radical and ions can come directly from ice grains. The experimental evidence suggest that if the frozen molecules on the surface of grains undergo direct dissociation then they may be able to release radicals directly in the gas phase. If the molecules undergo predissociation it is unlikely that they will release radicals in the gas phase since they should be quenched. Calculations of this direct photodissociation mechanism further indicate that even if the parent molecule undergoes direct dissociation, the yield will not be high enough to explain the rays structure in comets unless the radicals are stored in the grains and then released when the grain evaporates. Calculations were also performed to determine the maximum number of ions that can be stored in an icy grain's radius. This number is compared with the ratio of the ion to neutral molecular density. The comparison suggests that some of the ions observed near the nucleus of the comet could have originally been present in the cometary nucleus. It is also pointed out that the presence of these ions in icy grains could lead to radical formation via electron recombination. Finally, an avalanche process was evaluated as another means of producing ions in comets.

Jackson, William M.↗

NASA NTRS1991

The Navy/NASA Engine Program (NNEP89): Interfacing the program for the calculation of complex Chemical Equilibrium Compositions (CEC)

The NNEP is a general computer program for calculating aircraft engine performance. NNEP has been used extensively to calculate the design and off-design (matched) performance of a broad range of turbine engines, ranging from subsonic turboprops to variable cycle engines for supersonic transports. Recently, however, there has been increased interest in applications for which NNEP is not capable of simulating, such as the use of alternate fuels including cryogenic fuels and the inclusion of chemical dissociation effects at high temperatures. To overcome these limitations, NNEP was extended by including a general chemical equilibrium method. This permits consideration of any propellant system and the calculation of performance with dissociation effects. The new extended program is referred to as NNEP89.

Gordon, Sanford↗

NASA NTRS1991

A potential energy surface for the process H2 + H2O yielding H + H + H2O - Ab initio calculations and analytical representation

Extensive ab initio calculations on the ground state potential energy surface of H2 + H2O were performed using a large contracted Gaussian basis set and a high level of correlation treatment. An analytical representation of the potential energy surface was then obtained which reproduces the calculated energies with an overall root-mean-square error of only 0.64 mEh. The analytic representation explicitly includes all nine internal degrees of freedom and is also well behaved as the H2 dissociates; it thus can be used to study collision-induced dissociation or recombination of H2. The strategy used to minimize the number of energy calculations is discussed, as well as other advantages of the present method for determining the analytical representation.

Schwenke, David W.↗

NASA NTRS1991

Validation of chemistry models employed in a particle simulation method

The chemistry models employed in a statistical particle simulation method, as implemented in the Intel iPSC/860 multiprocessor computer, are validated and applied. Chemical relaxation of five-species air in these reservoirs involves 34 simultaneous dissociation, recombination, and atomic-exchange reactions. The reaction rates employed in the analytic solutions are obtained from Arrhenius experimental correlations as functions of temperature for adiabatic gas reservoirs in thermal equilibrium. Favorable agreement with the analytic solutions validates the simulation when applied to relaxation of O2 toward equilibrium in reservoirs dominated by dissociation and recombination, respectively, and when applied to relaxation of air in the temperature range 5000 to 30,000 K. A flow of O2 over a circular cylinder at high Mach number is simulated to demonstrate application of the method to multidimensional reactive flows.

Haas, Brian L.↗

NASA NTRS1991

Uranium droplet core nuclear rocket

Uranium droplet nuclear rocket is conceptually designed to utilize the broad temperature range ofthe liquid phase of metallic uranium in droplet configuration which maximizes the energy transfer area per unit fuel volume. In a baseline system dissociated hydrogen at 100 bar is heated to 6000 K, providing 2000 second of Isp. Fission fragments and intense radian field enhance the dissociation of molecular hydrogen beyond the equilibrium thermodynamic level. Uranium droplets in the core are confined and separated by an axisymmetric vortex flow generated by high velocity tangential injection of hydrogen in the mid-core regions. Droplet uranium flow to the core is controlled and adjusted by a twin flow nozzle injection system.

Anghaie, Samim↗

NASA NTRS1991

Viscosity of high-temperature iodine

The viscosity coefficient of iodine in the temperature range 500 - 3000 K is calculated. Because of the low dissociation energy of the I2 molecules, the dissociation degree of the gas increases quickly with temperature, and I + I2 and I + I collisions must be taken into account in calculation of viscosity at temperatures greater than 1000 deg. Several possible channels for atom-atom interaction are considered, and the resulting collision integrals are averaged over all the important channels. It is also shown that the rigid-sphere model is inaccurate in predictions of the viscosity.

Kang, Steve H.↗