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Results for “recombination reactions”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Chlorine nitrate - The sole product of the ClO + NO2 + M recombination

A laser operating at 266 nm is used to photolyze the product of the ClO + NO2 + M reaction, and the yield of Cl atoms, measured by resonance fluorescence, is found to be identical with that from equivalent concentrations of ClONO2. This is interpreted as a strong indication that no other isomers are formed in the recombination reaction. Evidence for isomers is surveyed, and the apparent forward-and-reverse-rate constant discrepancy is explained as a probable uncertainty in the thermochemistry.

Margitan, J. J.↗
NASA NTRS1976

Atomic oxygen-metal surface studies as applied to mass spectrometer measurements of upper planetary atmospheres

The problem of atomic oxygen loss in mass spectrometer ion sources can be reduced to an understanding of the possible surface interactions between oxygen atoms and the metal surface of the ion source. Results are presented for an experimental study in which an atomic oxygen beam apparatus and a mass spectrometer were used to measure the oxygen atom reflection, recombination, general surface reaction, and occlusion probabilities on six different engineering surfaces as a function of atomic oxygen exposure. The materials studied are gold, Nichrome V, aluminum, titanium, silver, and platinum. The variation in measured reflection probability seems to occur with metals that form oxides, Nichrome V being stable in terms of reflection stability. Recombination is observed an all surfaces except aluminum and platinum. Variation in the complete set of measurements in a single experiment is the result of varying surface conditions.

Sjolander, G. W.↗
NASA NTRS1975

Apparatus for production, measurement and reaction studies of dissociated gases at elevated temperatures

An apparatus is described which is used for the controlled production, characterization, and study of dissociated gases in a microwave discharge at elevated temperatures. A unique feature is the ability to produce and study a microwave discharge plasma in the heated zone. This allows elevated temperature reactions to be studied in high concentrations of dissociated gases. Further, the system permits weight change measurements of specimens in the plasma, thus facilitating reaction rate determinations. Included is a description of a cavity for use on a 50-mm diameter cylindrical reactor. The effects of flow rate, pressure, temperature, power, metal sample, and sampling position on dissociation percentage of oxygen in the apparatus are described as well as a technique for sample temperature measurements in the plasma which permits determination of high temperature recombination coefficients and reaction rates.

Christian, J. D.↗
DOE OSTI2021

Evolution of microstructures in radiation fields using a coupled binary-collision Monte Carlo phase field approach

The simulation of radiation effects in materials broadly falls into two categories. At short time and length scales lies the modeling of primary radiation damage, such as point defect creation, energy deposition, and ballistic mixing. This is followed by the modeling at longer time scales of thermally activated microstructure evolution and defect reactions, such as recombination, clustering, and coarsening. The binary collision Monte Carlo method is an established, numerically efficient method for the computation of primary radiation damage. Conversely, the phase field method is a state of the art method for microstructure evolution on longer time and length scales. Here we present a concurrent coupling of these two methods, overcoming the difference between the discrete object Monte Carlo paradigm for primary radiation damage and the continuum field variable approach for microstructure evolution. The coupling is bidirectional, in which the microstructure evolution in the MOOSE finite element frame- work provides the spatial scattering data set for the charged particle trans- port and receives point defect, mass transport, and heat source terms from the simulated collision cascades that contribute to the field variable evolution. The concurrent coupling scheme is implemented in the code Magpie and demonstrated by investigating patterning for a model irradiated immiscible binary alloy. The results from the coupled binary collision Monte Carlo/phase field simulations reproduce the results of analytical models for phase separation, phase mixing, and patterning, supporting the approach and indicating its utility for modeling real materials systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Can Third-Body Stabilization of Bimolecular Collision Complexes in Cold Molecular Clouds Happen?

For more than half a century, networks of radiative association, dissociative recombination, and bimolecular reactions have been postulated to drive the low-temperature chemistry of cold molecular clouds. Third-body stabilizations of collision complexes have been assumed to be 'irrelevant' due to short lifetime of such complexes. Here, we conduct crossed molecular beam studies of ground state atomic silicon with diacetylene in combination with electronic structure calculations and microcanonical kinetics models operating under cold molecular cloud conditions. Our combined experimental, electronic structure, and microcanonical kinetics modelling investigations provide compelling evidence that three-body collisions of molecular hydrogen with long-lived reaction intermediates accessed through intersystem crossing are prevalent deep inside molecular clouds. This concept might be exportable to reactions involving polycyclic aromatic hydrocarbons thus affording a versatile machinery to complex organics via third-body stabilizations of bimolecular collision complexes deep inside cold molecular clouds.

astrochemistry↗
NASA NTRS1975

Apparatus for study of plasmas at elevated temperatures

Microwave discharge plasmas take place within heated zone. Changes in weight of specimens in plasma as well as temperature of sample and plasma can be obtained, facilitating determinations of reaction rates and recombination coefficients.

Christian, J. D.↗
NASA NTRS1975

OGO-6 observations of 5577 A

A brief review is given of the data obtained by the horizon-scanning 5577-A airglow photometer flown aboard OGO 6. Data are presented which show the contributions to the 5577-A emission from the F-1 region and the Chapman airglow layer. Emission rates are calculated for both regions on the basis of the dissociative-recombination and Chapman reactions, and the atomic oxygen density and downward flux are inferred from the emission rates and several assumptions concerning the temperature dependence of the rate constants. Latitude variations in the emission rates are discussed along with variations in the altitude of the 5577-A airglow. It is shown that there is a large semiannual variation in the average effective transport properties of the lower thermosphere, that the atomic oxygen profiles near 110 km suggest a maximum in eddy diffusion at about that altitude, and that systematic variations in the altitude of the atomic oxygen maximum probably do not exceed 2 km.

Donahue, T. M.↗
NASA NTRS1979

Spontaneous emission lifetimes in the ground electronic states of HD/+/ and H2/+/a

Because of their simplicity, H2(+) and its isotopic species are of particular interest to molecular theorists and experimentalists. If these ions are formed in excited vibrational states under conditions of highly improbable electron-ion recombination or other reactions, spontaneous emission will occur. The present note calculates the (vibrational quantum number, J prime = 0) state lifetimes under spontaneous emission for all 22 excited vibrations of HD(+) and all 19 excited vibrations of H2(+) in their ground electron states. The lifetimes presented in Tables I and III justify the assumption that spontaneous radiative processes are unimportant under certain realizable conditions. When spontaneous radiation plays a role, however, minimum lifetime at intermediate vibrational quantum number could lead to unusual vibrational distribution functions.

Peek, J. M.↗
NASA NTRS1984

The annular flow electrothermal ramjet

The annular flow, electrothermal, plug ramjet is examined as a possible means of achieving rapid projectile acceleration to velocities for such applications as direct launch of spacebound payloads. The performance of this ramjet operating with hydrogen propellant is examined for cases where this working fluid is treated: (1) as a perfect gas, and (2) as a gas that is allowed to dissociate and ionize and then recombine with finite reaction rates in the nozzle. Performance results for these cases are compared to the performance of a conventional ramjet operating with perfect gas hydrogen propellant. The performance of the conventional ramjet is superior to that of the annular flow, electrothermal ramjet. However, it is argued that the mechanical complexities associated with conventional ramjet operation are difficult to attain, and for this reason the annular flow, electrothermal ramjet is more desirable as a launch system. Models are presented which describe both electrothermal plug ramjet and conventional ramjet operation, and it is shown that for a given flight velocity there is a rate of heat addition per unit propellant mass for which ramjet operation is optimized.

Shaw, B. D.↗
NASA NTRS1989

Arc jet diagnostics tests

Two objectives were addressed during a 10 week 1988 NASA/ASEE summer faculty fellowship at the Johnson Space Center Atmospheric Reentry Materials Structures Evaluation Facility (ARMSEF). These objectives were the evaluation of mass spectrometry for the measurement of atomic and molecular species in an arc jet environment, and the determination of atomic recombination coefficients for reaction cured glass (RCG) coated high temperature surface insulation (HRSI) materials subjected to simulated reentry conditions. Evaluation of mass spectrometry for the measurement of atomic and molecular species provided some of the first measurements of point compositions in arc jet tunnel environments. A major objective of this project centered around the sampling residence time. A three staged vacuum sampling system pulled the molecules and atoms from the arc jet to a quadrupole ionization mass spectrometer in 400 milliseconds. Conditions investigated included a composition survey across the nozzle exit at 3 cm z-distance from the nozzle exit for 3 different currents. Also, a point composition survey was taken around a shock created by the presence of a blunt body.

Willey, Ronald J.↗
NASA NTRS1989

Theoretical characterization of the potential energy surface for H + O2 yields HO2(asterisk) yields HO + O. II - The potential for H atom exchange in HO2

The results of CASSCF multireference contracted CI calculations with large ANO basis sets are presented for the exchange region of the HO2 potential-energy surface. The saddle point for H atom exchange is about 13 kcal/mol below the energy of H + O2; therefore, this region of the surface should be accessible during H + O2 recombination and methathesis reactions.

Walch, Stephen P.↗
NASA NTRS1992

Nitrogen escape from Mars

The mass spectrometer on the Viking spacecraft measured anomalous N-15:N-14 ratio of about 1.62 times the terrestrial value. This enhancement presumably results from differential escape of N-15. The escape of N is non-thermal and potential escape mechanisms include photodissociation, photoionization, and electron impact dissociative ionization of N2, and ion-molecule reactions and dissociative recombination of N2(+). The authors propose some calculations to explain the N ratio, but even with all escape mechanisms considered, the ratios don't balance. This leads to the assumption that some other escape mechanisms must exist that are unexplained.

Fox, J. L.↗
NASA NTRS2017

Development of a Detailed Surface Chemistry Framework in DSMC

Many of the current direct simulation Monte Carlo (DSMC) codes still employ only simple surface catalysis models. These include only basic mechanisms such as dissociation, recombination, and exchange reactions, without any provision for adsorption and finite rate kinetics. Incorporating finite rate chemistry at the surface is increasingly becoming a necessity for various applications such as high speed re-entry flows over thermal protection systems (TPS), micro-electro-mechanical systems (MEMS), surface catalysis, etc. In the recent years, relatively few works have examined finite-rate surface reaction modeling using the DSMC method.In this work, a generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the DSMC solver SPARTA. The various mechanisms include adsorption, desorption, Langmuir-Hinshelwood (LH), Eley-Rideal (ER), Collision Induced (CI), condensation, sublimation, etc. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., ER, CI) and pure-surface (e.g., LH, desorption) reaction mechanisms are incorporated. The reaction mechanisms could also be catalytic or surface altering based on the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and we adopt a similar convention in the current work. Microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are require for DSMC are computed from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are decided based on the reaction type and input parameters. Thus, the user has the capability to model various surface reactions via user-specified reaction rate constants, surface properties and parameters.

Gas↗
DOE OSTI2022

Spectroscopic camera analysis of the roles of molecularly assisted reaction chains during detachment in JET L-mode plasmas

The roles of the molecularly assisted ionization (MAI), recombination (MAR) and dissociation (MAD) reaction chains with respect to the purely atomic ionization and recombination processes were studied experimentally during detachment in low-confinement mode (L-mode) plasmas in JET with the help of experimentally inferred divertor plasma and neutral conditions, extracted previously from filtered camera observations of deuterium Balmer emission, and the reaction coefficients provided by the ADAS, AMJUEL and H2VIBR atomic and molecular databases. The direct contribution of MAI and MAR in the outer divertor particle balance was found to be inferior to the electron–atom ionization (EAI) and electron–ion recombination (EIR). Near the outer strike point, a strong atom source due to the D$^+_2$ -driven MAD was, however, observed to correlate with the onset of detachment at outer strike point temperatures of T e,osp = 0.9 –2.0 eV via increased plasma-neutral interactions before the increasing dominance of EIR at T e,osp < 0.9 eV, followed by increasing degree of detachment. The analysis was supported by predictions from EDGE2D-EIRENE simulations which were in qualitative agreement with the experimental observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Measurements and kinetic modeling of O 2 vibrational kinetics in O 2 –Ar mixtures partially dissociated by a Ns pulse discharge

Vibrational kinetics of O 2 is studied during the O atom recombination in an O 2 –Ar mixture, partially dissociated by a burst of ns discharge pulses in a heated plasma flow reactor. The time-resolved temperature in the discharge afterglow is determined by Rayleigh scattering. Time-resolved O atom number density is measured by ps Two-Photon absorption Laser Induced Fluorescence, calibrated in xenon. Time-resolved vibrational level populations of molecular oxygen, O 2 (v= 8–20), are measured by ps Laser Induced Fluorescence (LIF), with the absolute calibration by NO LIF. Time-resolved ozone number density is monitored by broadband UV absorption. The results are compared with the predictions of a state-specific kinetic model. The experimental data indicate a rapid initial decay of O 2 (v) populations generated by electron impact in the discharge, due to the vibration-translation (V–T) relaxation by O atoms. This is followed by a slower population reduction, on the time scale much longer compared to that for V–T relaxation or vibration-vibration (V–V) exchange. Both O atoms and the O 2 (v) populations decay on the same time scale, indicating that chemical reactions initiated by the O atom recombination result in the generation of vibrationally excited O 2 molecules. These trends are reproduced by the kinetic model, which shows that the reaction of O atoms with ozone is the dominant pathway of O 2 (v) generation at the present conditions. The predicted relative O 2 (v) populations are close to the experimental results, but absolute number densities differ from the experimental data. This is likely due to uncertainties in the absolute calibration of LIF measurements and in the spectroscopic model used in the data reduction. The present work demonstrates the capability for the absolute, time-resolved measurements of vibrationally excited O 2 in recombining gas flows, to quantify the energy partition in the recombination reactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗