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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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8 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Matrix isolation studies of the interactions of BF3 with water and substituted diethyl ethers. Chemical ionization mass spectrometric determination of the proton affinity of (CF3CH2)2O

BF3 was co-condensed with H2O, D2O, (C2H5)2O, (CF3CH2)2O, and (C2F5)2O in excess argon at 15 K. Infrared spectra of BF3/water isolated in solid argon provided a more complete analysis of the BF3--H2O complex than previously published. Infrared spectra of the matrices showed a definite Lewis acid-base interaction between BF3 and diethyl ether; a weak but definite interaction with bis (2,2,2-trifluorodiethyl) ether, and no observable interaction with perfluorodiethyl ether. Thus, the ether data indicate a clear trend between strength of interaction with BF3 and the degree of F substitution. To support and explain the emerging relationship between interaction strength and the basicity of the oxygen-containing molecule, the proton affinity of (CF3CH2)2O was measured using chemical ionization mass spectrometry. The implications of the results for lubricant/metal oxide surface interactions are discussed.

Ball, David W.↗
NASA NTRS1998

Experimental and Calculational Studies of the Interactions of BF3 with Fluoroethers

BF3 was co-condensed with (C2H5)2O, (CF3CH2)2O and (C2F5)2O in excess argon at 15 K. Infrared spectra of the matrices showed a definite Lewis acid-base interaction between BF3 and diethyl ether; a weak but definite interaction with bis(2,2,2,-trifluorodiethyl)ether, and no observable interaction with perfluorodiethyl ether. Molecular orbital (MO) calculations complemented the experimental observations by revealing that fluorine atoms on the ethers decreased electron localization about the oxygen atom. Thus, the experimental data and MO calculations indicated a clear trend between strength of interaction with BF3 and the degree of ether F substitution. The implications of the results for commercial perfluoro ether lubricant/metal oxide surface interactions are discussed.

Zehe, Michael J.↗
NASA NTRS1975

The effect of thermal neutron field slagging caused by cylindrical BF3 counters in diffusion media

Computations are carried out in transport approximation (first collision method) for the attenuation of the field of thermal neutrons formed in counters of the CHM-8 and CHMO-5 type. The deflection of the thermal neutron field is also obtained near the counters and in the air (shade effect) and in various decelerating media (water, paraffin, plexiglas) for which the calculations are carried out on the basis of diffusion theory. To verify the calculations, the distribution of the density of the thermal neutrons at various distances from the counter in the water is measured.

Gorshkov, G. V.↗
NASA NTRS1994

On the Interaction of CO and NH3 with BH3 and BF3

BH3CO, BF3CO, BH3NH3, and BF3NH3 have been studied using density functional theory (DFT). The computed geometries are in reasonable agreement with experiment. BF3CO is found to be weakly bound. The binding energies of BH3CO, BH3NH3 , and BF3NH3 have also been computed using the coupled cluster singles and doubles level of theory, including a perturbational estimate of the connected triples [CCSD(T)]. These CCSD(T) calculations are performed using correlation consistent polarized-valence triple-zeta basis sets. These are expected to be the most accurate binding energies to date. The DFT binding energies are in good agreement with those obtained at the CCSD(T) level. The bonding is analyzed using the constrained space orbital variation (CSOV) technique. In addition to analyzing the bonding in BH3CO, BH3NH3, and BF3NH3, the CSOV approach is used to study why the bonding in BF3CO is so weak.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1975

Large neutron counters for supermonitors

Large neutron counters designed for the neutron supermonitor with an area of about 20 sq m are reported. Statistical accuracy of the counters is 0.1% per 2 hours. Dimensions: length--2 m; diameter--150 mm; pressure--200 mm Hg. The counters are filled with BF3 gas containing over 80% of B-10.

Blokh, Y. L.↗
NASA NTRS1976

Ames collaborative study of cosmic ray neutrons

The results of a collaborative study to define both the neutron flux and the spectrum more precisely and to develop a dosimetry package that can be flown quickly to altitude for solar flare events are described. Instrumentation and analysis techniques were used which were developed to measure accelerator-produced radiation. The instruments were flown in the Ames Research Center high altitude aircraft. Neutron instrumentation consisted of Bonner spheres with both active and passive detector elements, threshold detectors of both prompt-counter and activation-element types, a liquid scintillation spectrometer based on pulse-shape discrimination, and a moderated BF3 counter neutron monitor. In addition, charged particles were measured with a Reuter-Stokes ionization chamber system and dose equivalent with another instrument. Preliminary results from the first series of flights at 12.5 km (41,000 ft) are presented, including estimates of total neutron flux intensity and spectral shape and of the variation of intensity with altitude and geomagnetic latitude.

Hewitt, J. E.↗
NASA NTRS1986

Dynamic dielectric analysis - A means for process control

The development of dynamic dielectric analysis techniques (as a 'smart' sensor for quantitative NDE) and of intelligent closed-loop cure systems is reported. The cure process of both BF3:R-catalyzed and uncatalyzed tetraglycidyl-4,4'-diaminodiphenyl methane (TGDDM)/diamine epoxy resins was studied. Measurements were made over a frequency range of six decades. The resin was monitored continuously throughout the cure process as it changed from a viscous liquid to a highly crosslinked solid. From the frequency dependence of the dielectric loss, the specific conductivity has been determined and shown to directly monitor the viscosity before the gel point is reached. Dielectric master plots of the cure process, analogous to time-temperature superposition plots for rheological data, have been developed.

Kranbuehl, D.↗
NASA NTRS2001

Is the Lamb shift chemically significant?

The contribution of the Lamb shift to the atomization energies of some prototype molecules, BF3, AlF3, and GaF3, is estimated by a perturbation procedure. It is found to be in the range of 3-5% of the one-electron scalar relativistic contribution to the atomization energy. The maximum absolute value is 0.2 kcal/mol for GaF3. These sample calculations indicate that the Lamb shift is probably small enough to be neglected for energetics of molecules containing light atoms if the target accuracy is 1 kcal/mol, but for higher accuracy calculations and for molecules containing heavy elements it must be considered.

Dyall, Kenneth G.↗