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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Flame inhibition by hydrogen halides - Some spectroscopic measurements

The far-ultraviolet absorption spectrum of an air-propane diffusion flame inhibited with hydrogen halides has been studied. Plots of the absorption of light by hydrogen halides as a function of position in the flame and also as a function of the amount of hydrogen halide added to the flame have been obtained. The hydrogen halides are shown to be more stable on the fuel side of the reaction zone than they are on the air side. Thermal diffusion is seen to be important in determining the concentration distribution of the heavier hydrogen halides in diffusion flames. The relationship between the concentration distribution of the hydrogen halides in the flame and the flame inhibition mechanism is discussed.

Lerner, N. R.↗
NASA NTRS1972

Hydrogen halide cleaning of powder metallurgy nickel-20 chromium-3 thoria.

The Cr2O3 content of powder metallurgy nickel-20 chromium-3 thoria was reduced with atmospheres consisting of hydrogen plus hydrogen chloride (HCl) or hydrogen bromide (HBr). The nonthoria oxygen content or 'oxygen excess' was reduced from an initial amount of greater than 50,000 ppm to less than 100 ppm. Low temperatures were effective, but lowest oxygen levels were achieved with the highest cleaning temperature of 1200 C.

Herbell, T. P.↗
NASA NTRS1982

Matrix isolation infrared spectra of hydrogen halide and halogen complexes with nitrosyl halides

Matrix isolation infrared spectra of nitrosyl halide (XNO) complexes with HX and X2 (X = Cl, Br) are presented. The relative frequency shifts of the HX mode are modest (ClNO H-Cl, delta-nu/nu = -0.045; BrNO H-Br, delta-nu/nu = -0.026), indicating weak hydrogen bonds 1-3 kcal/mol. These shifts are accompanied by significant shifts to higher frequencies in the XN-O stretching mode (CIN-O HCl, delta-nu/nu = +0.016; BrN-O HBr, delta-nu/nu = +0.011). Similar shifts were observed for the XN-O X2 complexes (ClN-O Cl2, delta-nu/nu = +0.009; BrN-O-Br2, delta-nu/nu = +0.013). In all four complexes, the X-NO stretching mode relative shift is opposite in sign and about 1.6 times that of the NO stretching mode. These four complexes are considered to be similar in structure and charge distribution. The XN-O frequency shift suggests that complex formation is accompanied by charge withdrawal from the NO bond ranging from about .04 to .07 electron charges. The HX and X2 molecules act as electron acceptors, drawing electrons out of the antibonding orbital of NO and strengthening the XN-O bond. The implications of the pattern of vibrational shifts concerning the structure of the complexes are discussed.

Allamandola, Louis J.↗
NASA NTRS1987

Air broadening of the hydrogen halides. I - N2-broadening and shifting in the HCl fundamental

The resolvent operator formalism of Kolb, Griem (1964), and Baranger (1962) is used to determine the widths and shifts of the fundamental band vibration-rotation lines of HCl under N2 pressure. Time-development operator matrix elements are evaluated accounting for all bilinear and second order anisotropic terms, in addition to isotropic effects to all orders. The method employs the use of a parabolic trajectory model and explicit velocity averaging. The major contributions to the linewidths are found to arise from dipole-quadrupole, quadrupole-quadrupole, and vibrationally dependent isotropic dispersion forces. Good overall agreement is found between calculated and measured widths and linewidths over a 163-295 K temperature range.

Looney, J. P.↗
NASA NTRS1971

Development of a flameproof elastic elastomeric fiber

Various flexible polyurethane structures containing halogen were synthesized from polyesters derived from aliphatic or aromatic polyols and dibasic acids. Aliphatic halide structures could not be used because they are unstable at the required reaction temperatures, giving of hydrogen halide which hydrolyzes the ester linkages. In contract, halogen-containing aromatic polyols were stable and satisfactory products were made. The most promising composition, a brominated neopentyl glycol capped with toluene disocyanate, was used as a conventional diisocyanate, in conjunction with hydroxy-terminated polyethers or polyesters to form elastomeric urethanes containing about 10% bromine with weight. Products made in this manner will not burn in air, have an oxygen index value of about 25, and have tensile strength values of about 5,000 psi at 450% elongation. The most efficient additives for imparting flame retardancy to Spandex urethanes are aromatic halides and the most effective of these are the bromide compounds. Various levels of flame retardancy have been achieved depending on the levels of additives used.

Howarth, J. T.↗
NASA NTRS1971

The role of hydrogen in hot-salt stress corrosion cracking of titanium-aluminum alloys

Additional support is presented for the previously proposed role of hydrogen as an embrittling agent in hot-salt stress corrosion cracking of titanium-aluminum alloys. The main source of hydrogen formed during the reactions of titanium alloys with hot salt was identified as water associated with the salt. Hydrogen is produced by the reaction of an intermediate (hydrogen halide) with the alloy rather than from metal-water reactions. The fracture mode of precracked tensile specimens was ductile when the specimens were tested in air, and brittle when tests were made in high-pressure hydrogen. Stressed titanium-aluminum alloys also were cracked by bombardment with hydrogen ions produced in a proton accelerator. The approximate concentrations of the hydrogen ions in the alloys were calculated.

Ondrejcin, R. S.↗
NASA NTRS1968

Fire retardant foams developed to suppress fuel fires

Heat insulating polyurethane foam retards and suppresses fuel fires. Uniformly dispersed in the foam is a halogenated polymer capable of splitting off hydrogen halide upon heating and charring of the polyurethane.

Fish, R.↗
NASA NTRS1972

Mechanism of rotational relaxation.

A model is presented which describes the characteristic pattern of relaxation of a nonthermal rotational distribution of hydrogen halide, peaked initially at high rotational quantum number J, to a thermal distribution without generating a peak at intermediate J. A method for correcting infrared chemiluminiscence data for modest rotational relaxation is also suggested.

Polanyi, J. C.↗
NASA NTRS1973

A spectroscopic study of CW chemical lasers.

A subsonic transverse-flow chemical laser has been instrumented to permit measurements of vibration-rotation state populations and laser output spectra under flow conditions typical of present CW hydrogen halide laser operation. Measurements are presented for the F + HI, F + HBr, F + CH4, F + HCl, F + H2, Cl + HI, and Cl + HBr atom-exchange reaction systems. CW operation was found to be characterized by relatively modest departures from Maxwell-Boltzmann vibrational energy distributions at all stages of reaction in contrast to pulsed operation based on similar reactions.

Rosen, D. I.↗
NASA NTRS1971

The molecular dynamics of atmospheric reaction

Detailed information about the chemistry of the upper atmosphere took the form of quantitative data concerning the rate of reaction into specified states of product vibration, rotation and translation for exothermic reaction, as well as concerning the rate of reaction from specified states of reagent vibration, rotation and translation for endothermic reaction. The techniques used were variants on the infrared chemiluminescence method. Emphasis was placed on reactions that formed, and that removed, vibrationally-excited hydroxyl radicals. Fundamental studies were also performed on exothermic reactions involving hydrogen halides.

Polanyi, J. C.↗
NASA NTRS1974

Temperature dependence of vibrational relaxation in the HF, DF, HF-CO2, and DF-CO2 systems

The laser excited fluorescence method has been employed to determine rate constants for V to V, R and V to R, T relaxation HF (nu = 1) and DF(nu = 1) by CO2 over the temperature range from 295 to 670 K. The self-deactivation rates for HF(nu = 1) and DF(nu = 1) by ground state molecules and the rate of V to V, R transfer from HF(nu = 1) and DF(nu = 1) to the CO2 (00/0/1) state exhibit a marked decrease with increasing temperature. The results provide additional evidence for the conversion of the large vibrational energy defects of the present systems into rotational motion of the hydrogen halide under the influence of a sizable attractive intermolecular potential well.

Lucht, R. A.↗
NASA NTRS1978

Estimation of Venus wind velocities from high-resolution infrared spectra

Zonal velocity profiles in the Venus atmosphere above the clouds were estimated from measured asymmetries of HCl and HF infrared absorption lines in high-resolution Fourier interferometer spectra of the planet. These asymmetries are caused by both pressure-induced shifts in the positions of the hydrogen-halide lines perturbed by CO2 and Doppler shifts due to atmospheric motions. Particularly in the case of the HCl 2-0 band, the effects of the two types of line shifts can be easily isolated, making it possible to estimate a profile of average Venus equatorial zonal velocity as a function of pressure in the region roughly 60 to 70 km above the surface of the planet. The mean profiles obtained show strong vertical shear in the Venus zonal winds near the cloud-top level, and both the magnitude and direction of winds at all levels in this region appear to vary greatly with longitude relative to the sub-solar point.

Smith, M. A. H.↗
NASA NTRS1980

Need for high resolution in VUV Rydberg state spectroscopy

The paper emphasizes the necessity of high energy resolution (resolving powers greater than 100,000) in VUV spectroscopic determinations of atomic and molecular Rydberg electronic structures. Attention is given to spectral observations of Rydberg levels in Ge I near the 4p 2P(0)1/2 limit, in Sr I near the 4d 2D3/2 limit, and in diatomic hydrogen halides (especially H I) below the X2Pi3/2 limit.

Ginter, M. L.↗
NASA NTRS1986

Detoxification of Halon Fire-Extinguishant Products

Ammonia compounds absorb toxic hydrogen halides as they are produced. Toxic acid vapors resulting from use of Halon (or equivalent) fire extinguishers immediately changed into nontoxic ammonium compounds when extinguishers contain some ammonia or ammonium carbonate. If ammonium carbonate used, particle size of resulting neutral compounds controlled to eliminate virtually any absorption into the lungs.

Miller, E. L.↗
NASA NTRS2001

The Transition from Hydrogen Bonding to Ionization in (HCI)n(NH3)n and (HCI)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy

Anharmonic vibrational frequencies and intensities are calculated for 1:1 and 2:2 (HCl)(sub n)(NH3)(sub n) and (HCl)(sub n)(H2O)(sub n) complexes, employing the correlation-corrected vibrational self-consistent field method with ab initio potential surfaces at the MP2/TZP computational level. In this method, the anharmonic coupling between all vibrational modes is included, which is found to be important for the systems studied. For the 4:4 (HCl)(sub n)(H2O)(sub n) complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Just as the (HCl)(sub n)(NH3)(sub n) structure switches from hydrogen-bonded to ionic for n=2, the (HCl)(sub n)(H2O)(sub n) switches to ionic structure for n=4. For (HCl)2(H2O)2, the lowest energy structure corresponds to the hydrogen-bonded form. However, configurations of the ionic form are separated from this minimum by a barrier of less than an O-H stretching quantum. This suggests the possibility of experiments on ionization dynamics using infrared excitation of the hydrogen-bonded form. The strong cooperative effects on the hydrogen bonding, and concomitant transition to ionic bonding, makes an accurate estimate of the large anharmonicity crucial for understanding the infrared spectra of these systems. The anharmonicity is typically of the order of several hundred wave numbers for the proton stretching motions involved in hydrogen or ionic bonding, and can also be quite large for the intramolecular modes. In addition, the large cooperative effects in the 2:2 and higher order (HCl(sub n)(H2O)(sub n) complexes may have interesting implications for solvation of hydrogen halides at ice surfaces.

Chaban, Galina M.↗
NASA NTRS2010

Chemical sensors using coated or doped carbon nanotube networks

Methods for using modified single wall carbon nanotubes ("SWCNTs") to detect presence and/or concentration of a gas component, such as a halogen (e.g., Cl.sub.2), hydrogen halides (e.g., HCl), a hydrocarbon (e.g., C.sub.nH.sub.2n+2), an alcohol, an aldehyde or a ketone, to which an unmodified SWCNT is substantially non-reactive. In a first embodiment, a connected network of SWCNTs is coated with a selected polymer, such as chlorosulfonated polyethylene, hydroxypropyl cellulose, polystyrene and/or polyvinylalcohol, and change in an electrical parameter or response value (e.g., conductance, current, voltage difference or resistance) of the coated versus uncoated SWCNT networks is analyzed. In a second embodiment, the network is doped with a transition element, such as Pd, Pt, Rh, Ir, Ru, Os and/or Au, and change in an electrical parameter value is again analyzed. The parameter change value depends monotonically, not necessarily linearly, upon concentration of the gas component. Two general algorithms are presented for estimating concentration value(s), or upper or lower concentration bounds on such values, from measured differences of response values.

Li, Jing↗