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Results for “vibrational bands”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Vibrational spectroscopy of shock compressed condensed phase nitrous oxide: Frequency shifts in the ν 1 mode

Over many years, we have published vibrational spectra of molecular materials at extreme pressure and temperature obtained using shock compression and coherent Raman spectroscopy methods. For diatomic molecules, we were able to extract vibrational temperatures from the intensities of spectrally resolved vibrational hot bands. Larger molecules in the condensed phase suffer band broadening effects that obscure the vibrational hot bands as the anharmonicities are typically smaller than the widths of the bands. This inability to resolve the hot bands inhibits the extraction of vibrational temperature and the measurement of the vibrational frequency of the fundamental. Here, we use a hot band model based on gas-phase anharmonic coupling coefficients to fit coherent anti-Stokes Raman spectra of the ν 1 vibrational mode of shock compressed condensed phase N 2 O with shock pressures and temperatures estimated from literature equations of state and compare to fits from a model using a single Gaussian peak. We report the resulting vibrational frequency shifts with shock pressure.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Absolute Rovibrational Intensities of C-12O2-16 Absorption Bands in the 3090-3850/ CM Spectral Region

A multispectrum nonlinear least-squares fitting technique has been used to determine the absolute intensities for approximately 1500 spectral lines in 36 vibration - rotation bands Of C-12O2-16 between 3090 and 3850/ cm. A total of six absorption spectra of a high- purity (99.995% minimum) natural sample of carbon dioxide were used in the analysis. The spectral data (0.01/cm resolution) were recorded at room temperature and low pressure (1 to 10 Torr) using the McMath-Pierce Fourier transform spectrometer of the National Solar Observatory (NSO) on Kitt Peak. The absorption path lengths for these spectra varied between 24.86 and 385.76 m. The first experimental determination of the intensity of the theoretically predicted 2(nu)(sub 2, sup 2) + nu(sub 3) "forbidden" band has been made. The measured line intensities obtained for each band have been analyzed to determine the vibrational band intensity, S(sub nu), in /cm/( molecule/sq cm) at 296 K, square of the rotationless transition dipole moment |R|(exp 2) in Debye, as well as the nonrigid rotor coefficients. The results are compared to the values listed in the 1996 HITRAN database which are obtained using the direct numerical diagonalization (DND) technique as well as to other published values where available.

Devi, V. Malathy↗
NASA NTRS1986

Concentration independent absolute intensity determinations A new method

Attention is given to the means for obtaining, independently of any data on molecular concentration, the absolute intensity determinations on the basis of relative line intensity measurements conducted across the vibration-rotation band of a diatomic molecule. This approach is important for the vibrational fundamental bands of diatomic molecules, which cannot be studied by the lifetime method; its application will be especially significant in the case of diatomic radical species whose concentrations can only be indirectly inferred.

Chackerian, C., Jr.↗
DOE OSTI2021

Scaling of Transition State Vibrational Frequencies and Application of d -Band Theory to the Brønsted–Evans–Polanyi Relationship on Surfaces

Semiempirical energy relations provide a means of estimating thermodynamic properties. Specifically, linear scaling relationships (LSRs) and Brønsted–Evans–Polanyi (BEP) relationships correlate adsorption energies between adsorbates across surfaces and reaction energies with activation barriers, respectively. Although vibrational scaling relations (VSRs) exist between adsorbates at identical sites, scaling between vibrational frequencies of adsorbed local minima and transition states is lacking. Here, we present density functional theory calculations for AH X (A = C, N, O) diffusions on transition metal surfaces and reveal linear scaling between frequencies of local minima and the transition state between those minima. Using d-band theory and linear muffin tin orbital theory (LMTO), we derive the slopes of these transition state vibrational scaling relations (TSVSRs) and, in so doing, provide a rigorous theory extending the original BEP relations developed for solution chemistry to surface chemistry. Furthermore, with a single reference DFT calculation, we predict the slopes and quantify uncertainty in the predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Calculation of infrared limb emission by ozone in the terrestrial middle atmosphere. I - Source functions. II - Emission calculations

The departure from LTE in the vibration-rotation bands of ozone in the middle atmosphere is analyzed using two statistical equilibrium models: the energy gap model and the simplified single model. The diurnal variations in the fundamental band source functions nu(1) and nu(3) is determined by the diurnal change in the rate of ozone photolysis by the solar radiation. Source functions are presented for the vibration-rotation bands of ozone that emit in the 9-11-micron spectral interval, over an altitude range of 1-110 km. Results are also reported of the evaluation of the radiative transfer equation incorporating these source functions and energy level populations. Using the results of the two statistical equilibrium models, calculations are carried out of the spectrally integrated limb radiance for the limb viewing geometry for daytime conditions. Results indicate that the interpretation of the measurements of spectrally integrated limb radiance from ozone will be greatly complicated by the breakdown of LTE in the vibration-rotational bands of ozone.

Mlynczak, Martin G.↗
NASA NTRS1994

The nu(sub 6), nu(sub 7), nu(sub 8), and nu(sub 10) Bands of HO2NO2

Two new fundamental vibration-rotation bands have been observed for HO2NO2 and assigned. They are nu(sub 7) at 648 1/cm and nu(sub 8) at 466 1/cm. On the basis of these assignments the previously observed bands at 722, 801.5, and 919 1/cm are assigned to nu(sub 10), nu(sub 7) + nu(sub 12), and 2 nu(sub 8), respectively. A partial rotational analysis of the atmospherically relevant nu(sub 6) band has been carried out, and the effects of tunneling, Coriolis interactions, and hot bands on the rotational structure have been characterized.The band origin derived from this analvsisis 8O2.54(sub 3) 1/cm.

Friedl, Randall R.↗
NASA NTRS1999

Prediction of X-33 Engine Dynamic Environments

Rocket engines normally have two primary sources of dynamic excitation. The first source is the injector and the combustion chambers that generate wide band random vibration. The second source is the turbopumps, which produce lower levels of wide band random vibration as well as sinusoidal vibration at frequencies related to the rotating speed and multiples thereof. Additionally, the pressure fluctuations due to flow turbulence and acoustics represent secondary sources of excitation. During the development stage, in order to design/size the rocket engine components, the local dynamic environments as well as dynamic interface loads have to be defined.

Shi, John J.↗
NASA NTRS1980

Analytical design and evaluation of an active control system for helicopter vibration reduction and gust response alleviation

An analytical study was conducted to define the basic configuration of an active control system for helicopter vibration and gust response alleviation. The study culminated in a control system design which has two separate systems: narrow band loop for vibration reduction and wider band loop for gust response alleviation. The narrow band vibration loop utilizes the standard swashplate control configuration to input controller for the vibration loop is based on adaptive optimal control theory and is designed to adapt to any flight condition including maneuvers and transients. The prime characteristics of the vibration control system is its real time capability. The gust alleviation control system studied consists of optimal sampled data feedback gains together with an optimal one-step-ahead prediction. The prediction permits the estimation of the gust disturbance which can then be used to minimize the gust effects on the helicopter.

Taylor, R. B.↗
NASA NTRS1976

Infrared emission from the atmosphere above 200 km

The infrared radiation over the range from 4 to 1000 microns from atoms and molecules in the earth's atmosphere, between 200 and 400 km, was calculated. Only zenith lines of sight were considered. The excitation of the atoms and molecules is due to collisions with other molecules and to absorption of radiation from the earth and sun. In some cases, the abundances of the molecules had to be estimated. The most important lines are the forbidden lines from atomic oxygen at 63.1 and 147 micron, and the vibration-rotation band of nitric oxide at 5.3 micron. These lines can have intensities as high as a few times 0.001 ergs/sq cm/sec/steradian at 200 km altitude. In addition, the vibration-rotation bands of NO(+) at 4.3 micron and CO at 4.7 micron and the pure rotation lines of NO and NO(+) could be detected by infrared telescopes in space.

Simpson, J. P.↗
NASA NTRS1989

Stratospheric infrared continuum absorptions observed by the ATMOS instrument

A quantitative analysis of infrared continuum absorption features observed in ATMOS/Spacelab 3 (1985) spectra of the lower stratosphere is reported. Continuous absorption produced primarily by the collision-induced fundamental vibration-rotation band of O2 and to a lesser extent by the superposition of H2O far line wings has been observed in the 1400 to 1800/cm interval below tangent heights of about 25 km. Continuum optical depths measured in microwindows nearly free of atmospheric line absorption are 0.78 + or - 0.06 times those calculated with the O2 absorption coefficients of Timofeyev and Tonkov (1978). Transmittance measurements in microwindows between 2395 and 2535/cm have been used to study continuous absorption from the collision induced fundamental vibration-rotation band of N2 and the far wings of strong CO2 lines. The measured transmittances have been analyzed to derive best fit absorption coefficients for the N2 pressure-induced band at lower stratospheric temperatures (about 210 K).

Rinsland, C. P.↗
NASA NTRS1973

nu sub 1 + nu sub 3 combination band of S-32 O2-16.

The infrared-active vibration-rotation band nu sub 1 + nu sub 3 of sulfur dioxide has been measured with moderately high spectral resolution. Quantum number identifications of spectral lines were made by comparison with theoretically computed spectra which include the effects of centrifugal distortion. The band center for nu sub 1 + nu sub 3 was determined to be 2499.60 plus or minus 0.10 per cm. An absolute band intensity has also been measured in this work, and the magnitude of the dipole moment derivative was evaluated.

Corice, R. J., Jr.↗
NASA NTRS1992

Application of narrow band control to reduce vibrations in magnetic bearing systems

The benefits of narrowband control theory for simple, open-loop stable systems are illustrated, and how the approach changes for magnetic bearing systems, which are open-loop unstable, is discussed. Magnetic bearing systems are good applications for narrowband control theory. Two sources of synchronous forces, the measurement error and the magnetic unbalance, are discussed. Both the measurement error and the magnetic unbalance manifest themselves as synchronous disturbances. It is shown that narrowband control theory for simple, open-loop stable systems provides excellent performance and good stability robustness. Because magnetic bearing systems are open-loop stable, the narrowband control approach becomes more complex. Disturbance accommodating control (DAC) theory is introduced as an effective approach to reduce vibrations in magnetic bearing systems. It is used to develop a control/estimation scheme that enables the rotor to spin about its center of mass in the presence of the measurement error disturbances.

Gaffney, Monique S.↗