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Sample records for absolute rate coefficient

  1. Absolute rate coefficients for the recombination of open f-shell tungsten ions

    NASA Astrophysics Data System (ADS)

    Krantz, C.; Spruck, K.; Badnell, N. R.; Becker, A.; Bernhardt, D.; Grieser, M.; Hahn, M.; Novotný, O.; Repnow, R.; Savin, D. W.; Wolf, A.; Müller, A.; Schippers, S.

    2014-04-01

    We have carried out direct measurements of the absolute recombination rate coefficients of four charge states of tungsten in the range from W18+ to W21+ in a heavy ion storage ring. We find that the rich atomic fine structure of the open f-shell leads to very high resonant enhancement of the recombination rate at energies below ~50 eV. Even in the higher energy domain relevant to fusion plasma this leads to a recombination rate coefficient that is more than four times higher than predicted by the commonly used ADAS database of recombination rates. In addition to the experimental measurements we have carried out theoretical calculations using Autostructure. For W20+ these predict a plasma recombination rate coefficient that agrees much better with the measurement than the ADAS model but still fail to reproduce the experimental data in detail.

  2. Absolute rate coefficients for photorecombination of beryllium-like and boron-like silicon ions

    NASA Astrophysics Data System (ADS)

    Bernhardt, D.; Becker, A.; Brandau, C.; Grieser, M.; Hahn, M.; Krantz, C.; Lestinsky, M.; Novotný, O.; Repnow, R.; Savin, D. W.; Spruck, K.; Wolf, A.; Müller, A.; Schippers, S.

    2016-04-01

    We report measured rate coefficients for electron-ion recombination of Si10+ forming Si9+ and of Si9+ forming Si8+, respectively. The measurements were performed using the electron-ion merged-beams technique at a heavy-ion storage ring. Electron-ion collision energies ranged from 0 to 50 eV for Si9+ and from 0 to 2000 eV for Si10+, thus, extending previous measurements for Si10+ (Orban et al 2010 Astrophys. J. 721 1603) to much higher energies. Experimentally derived rate coefficients for the recombination of Si9+ and Si10+ ions in a plasma are presented along with simple parameterizations. These rate coefficients are useful for the modeling of the charge balance of silicon in photoionized plasmas (Si9+ and Si10+) and in collisionally ionized plasmas (Si10+ only). In the corresponding temperature ranges, the experimentally derived rate coefficients agree with the latest corresponding theoretical results within the experimental uncertainties.

  3. Intrinsic absolute bioavailability prediction in rats based on in situ absorption rate constants and/or in vitro partition coefficients: 6-fluoroquinolones.

    PubMed

    Sánchez-Castaño, G; Ruíz-García, A; Bañón, N; Bermejo, M; Merino, V; Freixas, J; Garriguesx, T M; Plá-Delfina, J M

    2000-11-01

    A preliminary study attempting to predict the intrinsic absolute bioavailability of a group of antibacterial 6-fluoroquinolones-including true and imperfect homologues as well as heterologues-was carried out. The intrinsic absolute bioavailability of the test compounds, F, was assessed on permanently cannulated conscious rats by comparing the trapezoidal normalized areas under the plasma concentration-time curves obtained by intravenous and oral routes (n = 8-12). The high-performance liquid chromatography analytical methods used for plasma samples are described. Prediction of the absolute bioavailability of the compounds was based on their intrinsic rat gut in situ absorption rate constant, k(a). The working equation was: where T represents the mean absorbing time. A T value of 0.93 (+/-0.06) h provides the best correlation between predicted and experimentally obtained bioavailabilities (F' and F, respectively) when k(a) values are used (slope a = 1.10; intercept b = -0.05; r = 0.991). The k(a) values can also be expressed in function of the in vitro partition coefficients, P, between n-octanol and a phosphate buffer. In this case, theoretical k(a) values can be determined with the parameters of a standard k(a)/P correlation previously established for a group of model compounds. When P values are taken instead of k(a) values, reliable bioavailability predictions can also be made. These and other relevant features of the method are discussed.

  4. Determination of absolute internal conversion coefficients using the SAGE spectrometer

    NASA Astrophysics Data System (ADS)

    Sorri, J.; Greenlees, P. T.; Papadakis, P.; Konki, J.; Cox, D. M.; Auranen, K.; Partanen, J.; Sandzelius, M.; Pakarinen, J.; Rahkila, P.; Uusitalo, J.; Herzberg, R.-D.; Smallcombe, J.; Davies, P. J.; Barton, C. J.; Jenkins, D. G.

    2016-03-01

    A non-reference based method to determine internal conversion coefficients using the SAGE spectrometer is carried out for transitions in the nuclei of 154Sm, 152Sm and 166Yb. The Normalised-Peak-to-Gamma method is in general an efficient tool to extract internal conversion coefficients. However, in many cases the required well-known reference transitions are not available. The data analysis steps required to determine absolute internal conversion coefficients with the SAGE spectrometer are presented. In addition, several background suppression methods are introduced and an example of how ancillary detectors can be used to select specific reaction products is given. The results obtained for ground-state band E2 transitions show that the absolute internal conversion coefficients can be extracted using the methods described with a reasonable accuracy. In some cases of less intense transitions only an upper limit for the internal conversion coefficient could be given.

  5. Kinetics of O(1D) + H2O and O(1D) + H2: absolute rate coefficients and O(3P) yields between 227 and 453 K.

    PubMed

    Vranckx, Stijn; Peeters, Jozef; Carl, Shaun

    2010-08-28

    The rate coefficients for the crucial atmospheric reactions of O((1)D) with H(2)O and H(2), k(1) and k(2), were measured over a wide temperature range using O((1)D) detection based on the chemiluminescence reaction of O((1)D) with C(2)H. Analyzing the decays of the chemiluminescence intensities yielded a value for k(1)(T) of (1.70 x 10(-10)exp[36 K/T]) cm(3) s(-1). Multiplying or dividing k(1)(T) by a factor f(T) = 1.04 exp(5.59(|1 K/T- 1/287|)), gives the 95% confidence limits; our new determination, in good agreement with previous studies, further reduces the uncertainty in k(1). An extended study of k(2) yielded a temperature independent rate constant of (1.35 +/- 0.05) x 10(-10) cm(3) s(-1). This precise value, based on an extended set of determinations with very low scatter, is significantly larger than the current recommendations, as were two other recent k(2) determinations. Secondly, the fractions of O((1)D) quenched to O((3)P) by H(2)O and H(2), k(1b)/k(1) and k(2b)/k(2), were precisely determined from fits to chemiluminescence decays. A temperature-independent value for k(1b)/k(1) of 0.010 +/- 0.003 was found. For the quenching fraction k(2b)/k(2) a value of 0.007 +/- 0.007 was obtained at room temperature. Both determinations are significantly smaller than values and upper limits from previous studies.

  6. First experimental determination of the absolute gas-phase rate coefficient for the reaction of OH with 4-hydroxy-2-butanone (4H2B) at 294 K by vapor pressure measurements of 4H2B.

    PubMed

    El Dib, Gisèle; Sleiman, Chantal; Canosa, André; Travers, Daniel; Courbe, Jonathan; Sawaya, Terufat; Mokbel, Ilham; Chakir, Abdelkhaleq

    2013-01-10

    The reaction of the OH radicals with 4-hydroxy-2-butanone was investigated in the gas phase using an absolute rate method at room temperature and over the pressure range 10-330 Torr in He and air as diluent gases. The rate coefficients were measured using pulsed laser photolysis (PLP) of H(2)O(2) to produce OH and laser induced fluorescence (LIF) to measure the OH temporal profile. An average value of (4.8 ± 1.2) × 10(-12) cm(3) molecule(-1) s(-1) was obtained. The OH quantum yield following the 266 nm pulsed laser photolysis of 4-hydroxy-2-butanone was measured for the first time and found to be about 0.3%. The investigated kinetic study required accurate measurements of the vapor pressure of 4-hydroxy-2-butanone, which was measured using a static apparatus. The vapor pressure was found to range from 0.056 to 7.11 Torr between 254 and 323 K. This work provides the first absolute rate coefficients for the reaction of 4-hydroxy-2-butanone with OH and the first experimental saturated vapor pressures of the studied compound below 311 K. The obtained results are compared to those of the literature and the effects of the experimental conditions on the reactivity are examined. The calculated tropospheric lifetime obtained in this work suggests that once emitted into the atmosphere, 4H2B may contribute to the photochemical pollution in a local or regional scale.

  7. Absolute rate theories of epigenetic stability

    NASA Astrophysics Data System (ADS)

    Walczak, Aleksandra M.; Onuchic, José N.; Wolynes, Peter G.

    2005-12-01

    Spontaneous switching events in most characterized genetic switches are rare, resulting in extremely stable epigenetic properties. We show how simple arguments lead to theories of the rate of such events much like the absolute rate theory of chemical reactions corrected by a transmission factor. Both the probability of the rare cellular states that allow epigenetic escape and the transmission factor depend on the rates of DNA binding and unbinding events and on the rates of protein synthesis and degradation. Different mechanisms of escape from the stable attractors occur in the nonadiabatic, weakly adiabatic, and strictly adiabatic regimes, characterized by the relative values of those input rates. rate theory | stochastic gene expression | gene switches

  8. Absolute Rate Theories of Epigenetic Stability

    NASA Astrophysics Data System (ADS)

    Walczak, Aleksandra M.; Onuchic, Jose N.; Wolynes, Peter G.

    2006-03-01

    Spontaneous switching events in most characterized genetic switches are rare, resulting in extremely stable epigenetic properties. We show how simple arguments lead to theories of the rate of such events much like the absolute rate theory of chemical reactions corrected by a transmission factor. Both the probability of the rare cellular states that allow epigenetic escape, and the transmission factor, depend on the rates of DNA binding and unbinding events and on the rates of protein synthesis and degradation. Different mechanisms of escape from the stable attractors occur in the nonadiabatic, weakly adiabatic and strictly adiabatic regimes, characterized by the relative values of those input rates.

  9. Absolute Seebeck Coefficient Measurements of Thermoelectric Thin Films

    NASA Astrophysics Data System (ADS)

    Mason, Sarah; Avery, Azure; Basset, Dain; Zink, Barry

    2014-03-01

    Significant advancements in thermoelectric device efficiencies are possible through size reduction to the nanoscale. Quantities that determine a material's efficiency, such as thermopower, or Seebeck coefficient, S, are influenced by the measurement apparatus, so that measuring a thermally generated voltage gives, dV/dT =Ssample -Slead . If accurate values of, Slead, are available, simple subtraction provides Ssample. This is rarely the case in measurements using micromachined devices, with leads exclusively made from thin film materials that do not have well known bulk-like thermopower values. We have developed a technique to directly measure S as a function of T using a micromachined thermal isolation platform consisting of a suspended, patterned SiN membrane. By measuring a series of thicknesses of metallic films up to the infinitely thick thin film limit, in which the thermopower is no longer increasing with thickness, but still not at bulk values, we are able to show the contribution of the leads needed to measure this property. Having a thorough understanding of the background contribution we are able to determine the absolute thermopower of a wide variety of thin films, as well as their thermal and electrical conductivities, on the same sample.

  10. Recursive prescription for logarithmic jet rate coefficients

    NASA Astrophysics Data System (ADS)

    Gerwick, Erik

    2013-11-01

    We derive a recursion relation for the analytic leading logarithmic coefficients of a final state gluon cascade. We demonstrate the potential of our method by analytically computing the rate coefficients for the emission of up to 80 gluons in both the exclusive-kt (Durham) and generalized inclusive-kt class of jet algorithms. There is a particularly simple form for the ratios of resolved coefficients. We suggest potential applications for our method including the efficient generation of shower histories.

  11. Temperature Dependent Rate Coefficients for the OH + Pinonaldehyde Reaction

    NASA Astrophysics Data System (ADS)

    Davis, M. E.; Talukdar, R.; Notte, G.; Ellison, G. B.; Ravishankara, A. R.; Burkholder, J. B.

    2005-12-01

    The biogenic emission of monoterpenes is an important source of volatile organic compounds (VOCs) to the atmosphere, approximately 10% of the biogenic hydrocarbons emitted yearly. The oxidation of alpha-pinene, the most abundant monoterpene in the atmosphere, by OH leads to the formation of pinonaldehyde (3-acetyl-2,2-dimethyl-cyclobutyl-ethanal) as a major oxidation product formed in yields > 50%. The atmospheric oxidation of pinonaldehyde will impact radical cycling, ozone formation and air quality on a regional scale. Previous laboratory studies of the OH + pinonaldehyde rate coefficient have used relative rate methods and were limited to room temperature. The reported rate coefficients are in poor agreement with values ranging from 4.0 to 9.1 × 10-11 cm#3 molecule-1 s-1. In this study we have measured absolute rate coefficients to resolve these discrepancies and have extended the measurements to include the temperature dependence. The rate coefficient for the gas phase reaction of OH with pinonaldehyde was measured over the temperature range 297 to 374 K and between 55 and 96 Torr under pseudo first order conditions in OH. Laser-induced fluorescence (LIF) was used to monitor the OH radical which was produced by pulsed laser photolysis. The pinonaldehyde concentration was determined in situ using Fourier transform infrared (FTIR) and UV (185 nm) absorption spectroscopy. The rate coefficient for the OH + pinonaldehyde reaction will be presented. Our results will be compared with previous rate coefficient measurements and the discrepancies and the atmospheric implications of these measurements will be discussed.

  12. Spectroscopy of electronic thermal noise as a direct probe of absolute thermoelectric coefficients

    NASA Astrophysics Data System (ADS)

    Garrity, Patrick L.

    2011-04-01

    The utilization of thermal fluctuations or Johnson/Nyquist noise as a generalized spectroscopic technique to experimentally measure transport properties is applied to Pt and W metal films. Through cross-correlation and autocorrelation functions obtained from voltage power spectral density measurements, multiple transport coefficients are obtained through the Green-Kubo formalism. Supported rigorously by the underlying fluctuation-dissipation theorem and Green-Kubo transport theory, this novel experimental technique provides a direct measurement of absolute Seebeck and Peltier coefficients in addition to the electrical resistivity, electronic contribution to thermal conductivity, and Lorenz number. This work reports the validation results of the experiment accomplished through the use of materials with thermoelectric properties widely accepted by the thermoelectric community, Pt and W. Further validation of the data was accomplished by comparing the resistivity results to standard collinear four-probe resistivity measurements. Spectroscopic results for resistivity at 300 K resulted in 5.3% and 2.5% agreement with four-probe resistivity measurements for Pt and W, respectively. The Seebeck coefficient measurements at 300 K showed agreement with published values within 3.8% and 7.5% for Pt and W, respectively. The electronic thermal conductivity measured 66% and 75% of the total thermal conductivity for Pt and W, respectively, at 300 K.

  13. Nanoscale Thermoelectrics: A Study of the Absolute Seebeck Coefficient of Thin Films

    NASA Astrophysics Data System (ADS)

    Mason, Sarah J.

    measure, S, as a function of temperature using a micro-machined thermal isolation platform consisting of a suspended, patterned SiN membrane. By measuring a series of thicknesses of metallic films up to the infinitely thin film limit, in which the electrical resistivity is no longer decreasing with increasing film thickness, but still not at bulk values, along with the effective electron mean free path, we are able to show the contribution of the leads needed to measure this property. Having a comprehensive understanding of the background contribution we are able to determine the absolute Seebeck coefficient of a wide variety of thin films. The nature of the design of the SiN membrane also allows the ability to accurately and directly measure thermal and electrical transport of the thin films yielding a comprehensive measurement of the three quantities that characterize a material's efficiency. This can serve to further the development of thermoelectric materials through precise measurements of the material properties that dictate efficiency.

  14. Spatially resolved absolute diffuse reflectance measurements for noninvasive determination of the optical scattering and absorption coefficients of biological tissue

    NASA Astrophysics Data System (ADS)

    Kienle, Alwin; Lilge, Lothar; Patterson, Michael S.; Hibst, Raimund; Steiner, Rudolf; Wilson, Brian C.

    1996-05-01

    The absorption and transport scattering coefficients of biological tissues determine the radial dependence of the diffuse reflectance that is due to a point source. A system is described for making remote measurements of spatially resolved absolute diffuse reflectance and hence noninvasive, noncontact estimates of the tissue optical properties. The system incorporated a laser source and a CCD camera. Deflection of the incident beam into the camera allowed characterization of the source for absolute reflectance measurements. It is shown that an often used solution of the diffusion equation cannot be applied for these measurements. Instead, a neural network, trained on the results of Monte Carlo simulations, was used to estimate the absorption and scattering coefficients from the reflectance data. Tests on tissue-simulating phantoms with transport scattering coefficients between 0.5 and 2.0 mm-1 and absorption coefficients between 0.002 and 0.1 mm -1 showed the rms errors of this technique to be 2.6% for the transport scattering coefficient and 14% for the absorption coefficients. The optical properties of bovine muscle, adipose, and liver tissue, as well as chicken muscle (breast), were also measured ex vivo at 633 and 751 nm. For muscle tissue it was found that the Monte Carlo simulation did not agree with experimental measurements of reflectance at distances less than 2 mm from the incident beam. Carlo, neural network.

  15. Tomographic imaging of absolute optical absorption coefficient in turbid media using combined photoacoustic and diffusing light measurements.

    PubMed

    Yin, Lu; Wang, Qiang; Zhang, Qizhi; Jiang, Huabei

    2007-09-01

    We present a new method that can provide high resolution images of absolute optical absorption coefficient in heterogeneous turbid media. In this method, acoustic measurements in conventional photoacoustic tomography are combined with diffusing light measurements to separate the product of absorption coefficient and optical fluence or photon density. We validate this method using a series of tissuelike phantom experiments. The experimental results show that targets as small as 0.5 mm in diameter with optical absorption contrasts as low as 1.5 relative to a 50 mm diameter scattering background medium can be clearly detected.

  16. Efficient calculation of atomic rate coefficients in dense plasmas

    NASA Astrophysics Data System (ADS)

    Aslanyan, Valentin; Tallents, Greg J.

    2017-03-01

    Modelling electron statistics in a cold, dense plasma by the Fermi-Dirac distribution leads to complications in the calculations of atomic rate coefficients. The Pauli exclusion principle slows down the rate of collisions as electrons must find unoccupied quantum states and adds a further computational cost. Methods to calculate these coefficients by direct numerical integration with a high degree of parallelism are presented. This degree of optimization allows the effects of degeneracy to be incorporated into a time-dependent collisional-radiative model. Example results from such a model are presented.

  17. RECOMBINATION RATE COEFFICIENTS OF Be-LIKE Si

    SciTech Connect

    Orban, I.; Boehm, S.; Schuch, R.; Loch, S. D.

    2010-10-01

    Recombination of Be-like Si{sup 10+} over the 0-43 eV electron-ion energy range is measured at the CRYRING electron cooler. In addition to radiative and dielectronic recombination, the recombination spectrum also shows strong contributions from trielectronic recombination. Below 100 meV, several very strong resonances associated with a spin-flip of the excited electron dominate the spectrum and also dominate the recombination in the photoionized plasma. The resonant plasma rate coefficients corrected for the experimental field ionization are in good agreement with calculated results by Gu and with AUTOSTRUCTURE calculations. All other calculations significantly underestimate the plasma rate coefficients at low temperatures.

  18. ROVIBRATIONAL QUENCHING RATE COEFFICIENTS OF HD IN COLLISIONS WITH He

    SciTech Connect

    Nolte, J. L.; Stancil, P. C.; Lee, T.-G.; Balakrishnan, N.; Forrey, R. C. E-mail: stancil@physast.uga.edu E-mail: naduvala@unlv.nevada.edu

    2012-01-01

    Along with H{sub 2}, HD has been found to play an important role in the cooling of the primordial gas for the formation of the first stars and galaxies. It has also been observed in a variety of cool molecular astrophysical environments. The rate of cooling by HD molecules requires knowledge of collisional rate coefficients with the primary impactors, H, He, and H{sub 2}. To improve knowledge of the collisional properties of HD, we present rate coefficients for the He-HD collision system over a range of collision energies from 10{sup -5} to 5 Multiplication-Sign 10{sup 3} cm{sup -1}. Fully quantum mechanical scattering calculations were performed for initial HD rovibrational states of j = 0 and 1 for v = 0-17 which utilized accurate diatom rovibrational wave functions. Rate coefficients of all {Delta}v = 0, -1, and -2 transitions are reported. Significant discrepancies with previous calculations, which adopted a small basis and harmonic HD wave functions for excited vibrational levels, were found for the highest previously considered vibrational state of v = 3. Applications of the He-HD rate coefficients in various astrophysical environments are briefly discussed.

  19. A supplementary approach for estimating reaeration rate coefficients

    NASA Astrophysics Data System (ADS)

    Jha, Ramakar; Ojha, C. S. P.; Bhatia, K. K. S.

    2004-01-01

    Different commonly used predictive equations for the reaeration rate coefficient (K2) have been evaluated using 231 data sets obtained from the literature and 576 data sets measured at different reaches of the River Kali in western Uttar Pradesh, India. The data sets include stream/channel velocity, bed slope, flow depth, cross-sectional area and reaeration rate coefficient (K2), obtained from the literature and generated during the field survey of River Kali, and were used to test the applicability of the predictive equations. The K2 values computed from the predictive equations have been compared with the corresponding K2 values measured in streams/channels. The performance of the predictive equations has been evaluated using different error estimation, namely standard error (SE), normal mean error (NME), mean multiplicative error (MME) and coefficient of determination (r2). The results show that the reaeration rate equation developed by Parkhurst and Pomeroy yielded the best agreement, with the values of SE, NME, MME and r2 as 33.387, 4.62, 3.58 and 0.95, respectively, for literature data sets (case 1) and 37.567, 3.57, 2.6 and 0.95, respectively, for all the data sets (literature data sets and River Kali data sets) (case 2). Further, to minimize error estimates and improve correlation between measured and computed reaeration rate coefficients, supplementary predictive equations have been developed based on Froude number criteria and a least-squares algorithm. The supplementary predictive equations have been verified using different error estimates and by comparing measured and computed reaeration rate coefficients for data sets not used in the development of the equations.

  20. Experimental investigation of factors affecting the absolute recovery coefficients in iodine-124 PET lesion imaging.

    PubMed

    Jentzen, Walter

    2010-04-21

    The use of recovery coefficients (RCs) in (124)I PET lesion imaging is a simple method to correct the imaged activity concentration (AC) primarily for the partial-volume effect and, to a minor extent, for the prompt gamma coincidence effect. The aim of this phantom study was to experimentally investigate a number of various factors affecting the (124)I RCs. Three RC-based correction approaches were considered. These approaches differ with respect to the volume of interest (VOI) drawn, which determines the imaged AC and the RCs: a single voxel VOI containing the maximum value (maximum RC), a spherical VOI with a diameter of the scanner resolution (resolution RC) and a VOI equaling the physical object volume (isovolume RC). Measurements were performed using mainly a stand-alone PET scanner (EXACT HR(+)) and a latest-generation PET/CT scanner (BIOGRAPH mCT). The RCs were determined using a cylindrical phantom containing spheres or rotational ellipsoids and were derived from images acquired with a reference acquisition protocol. For each type of RC, the influence of the following factors on the RC was assessed: object shape, background activity spill in and iterative image reconstruction parameters. To evaluate the robustness of the RC-based correction approaches, the percentage deviation between RC-corrected and true ACs was determined from images acquired with a clinical acquisition protocol of different AC regimes. The observed results of the shape and spill-in effects were compared with simulation data derived from a convolution-based model. The study demonstrated that the shape effect was negligible and, therefore, was in agreement with theoretical expectations. In contradiction to the simulation results, the observed spill-in effect was unexpectedly small. To avoid variations in the determination of RCs due to reconstruction parameter changes, image reconstruction with a pixel length of about one-third or less of the scanner resolution and an OSEM 1 x 32

  1. Experimental investigation of factors affecting the absolute recovery coefficients in iodine-124 PET lesion imaging

    NASA Astrophysics Data System (ADS)

    Jentzen, Walter

    2010-04-01

    The use of recovery coefficients (RCs) in 124I PET lesion imaging is a simple method to correct the imaged activity concentration (AC) primarily for the partial-volume effect and, to a minor extent, for the prompt gamma coincidence effect. The aim of this phantom study was to experimentally investigate a number of various factors affecting the 124I RCs. Three RC-based correction approaches were considered. These approaches differ with respect to the volume of interest (VOI) drawn, which determines the imaged AC and the RCs: a single voxel VOI containing the maximum value (maximum RC), a spherical VOI with a diameter of the scanner resolution (resolution RC) and a VOI equaling the physical object volume (isovolume RC). Measurements were performed using mainly a stand-alone PET scanner (EXACT HR+) and a latest-generation PET/CT scanner (BIOGRAPH mCT). The RCs were determined using a cylindrical phantom containing spheres or rotational ellipsoids and were derived from images acquired with a reference acquisition protocol. For each type of RC, the influence of the following factors on the RC was assessed: object shape, background activity spill in and iterative image reconstruction parameters. To evaluate the robustness of the RC-based correction approaches, the percentage deviation between RC-corrected and true ACs was determined from images acquired with a clinical acquisition protocol of different AC regimes. The observed results of the shape and spill-in effects were compared with simulation data derived from a convolution-based model. The study demonstrated that the shape effect was negligible and, therefore, was in agreement with theoretical expectations. In contradiction to the simulation results, the observed spill-in effect was unexpectedly small. To avoid variations in the determination of RCs due to reconstruction parameter changes, image reconstruction with a pixel length of about one-third or less of the scanner resolution and an OSEM 1 × 32 algorithm or

  2. 1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies.

    PubMed

    Garrido, Nuno M; Queimada, António J; Jorge, Miguel; Macedo, Eugénia A; Economou, Ioannis G

    2009-09-08

    The 1-octanol/water partition coefficient is an important thermodynamic variable usually employed to understand and quantify the partitioning of solutes between aqueous and organic phases. It finds widespread use in many empirical correlations to evaluate the environmental fate of pollutants as well as in the design of pharmaceuticals. The experimental evaluation of 1-octanol/water partition coefficients is an expensive and time-consuming procedure, and thus, theoretical estimation methods are needed, particularly when a physical sample of the solute may not yet be available, such as in pharmaceutical screening. 1-Octanol/water partition coefficients can be obtained from Gibbs free energies of solvation of the solute in both the aqueous and the octanol phases. The accurate evaluation of free energy differences remains today a challenging problem in computational chemistry. In order to study the absolute solvation Gibbs free energies in 1-octanol, a solvent that can mimic many properties of important biological systems, free energy calculations for n-alkanes in the range C1-C8 were performed using molecular simulation techniques, following the thermodynamic integration approach. In the first part of this paper, we test different force fields by evaluating their performance in reproducing pure 1-octanol properties. It is concluded that all-atom force fields can provide good accuracy but at the cost of a higher computational time compared to that of the united-atom force fields. Recent versions of united-atom force fields, such as Gromos and TraPPE, provide satisfactory results and are, thus, useful alternatives to the more expensive all-atom models. In the second part of the paper, the Gibbs free energy of solvation in 1-octanol is calculated for several n-alkanes using three force fields to describe the solutes, namely Gromos, TraPPE, and OPLS-AA. Generally, the results obtained are in excellent agreement with the available experimental data and are of similar

  3. Determination of reaeration-rate coefficients of the Wabash River, Indiana, by the modified tracer technique

    USGS Publications Warehouse

    Crawford, Charles G.

    1985-01-01

    The modified tracer technique was used to determine reaeration-rate coefficients in the Wabash River in reaches near Lafayette and Terre Haute, Indiana, at streamflows ranging from 2,310 to 7,400 cu ft/sec. Chemically pure (CP grade) ethylene was used as the tracer gas, and rhodamine-WT dye was used as the dispersion-dilution tracer. Reaeration coefficients determined for a 13.5-mi reach near Terre Haute, Indiana, at streamflows of 3,360 and 7,400 cu ft/sec (71% and 43% flow duration) were 1.4/day and 1.1/day at 20 C, respectively. Reaeration-rate coefficients determined for a 18.4-mile reach near Lafayette, Indiana, at streamflows of 2,310 and 3,420 cu ft/sec (70% and 53 % flow duration), were 1.2/day and 0.8/day at 20 C, respectively. None of the commonly used equations found in the literature predicted reaeration-rate coefficients similar to those measured for reaches of the Wabash River near Lafayette and Terre Haute. The average absolute prediction error for 10 commonly used reaeration equations ranged from 22% to 154%. Prediction error was much smaller in the reach near Terre Haute than in the reach near Lafayette. The overall average of the absolute prediction error for all 10 equations was 22% for the reach near Terre Haute and 128% for the reach near Lafayette. Confidence limits of results obtained from the modified tracer technique were smaller than those obtained from the equations in the literature. 

  4. Measurement of diffusion coefficients from solution rates of bubbles

    NASA Technical Reports Server (NTRS)

    Krieger, I. M.

    1979-01-01

    The rate of solution of a stationary bubble is limited by the diffusion of dissolved gas molecules away from the bubble surface. Diffusion coefficients computed from measured rates of solution give mean values higher than accepted literature values, with standard errors as high as 10% for a single observation. Better accuracy is achieved with sparingly soluble gases, small bubbles, and highly viscous liquids. Accuracy correlates with the Grashof number, indicating that free convection is the major source of error. Accuracy should, therefore, be greatly increased in a gravity-free environment. The fact that the bubble will need no support is an additional important advantage of Spacelab for this measurement.

  5. Gas-phase rate coefficients of the reaction of ozone with four sesquiterpenes at 295 ± 2 K.

    PubMed

    Richters, Stefanie; Herrmann, Hartmut; Berndt, Torsten

    2015-05-07

    The rate coefficients of the reaction of ozone with the four atmospherically relevant sesquiterpenes β-caryophyllene, α-humulene, α-cedrene and isolongifolene were investigated at 295 ± 2 K and atmospheric pressure by at least two independent experimental investigations for each reaction. Relative rate experiments were carried out in a flow tube using two different experimental approaches with GC-MS detection (RR 1) and PTR-MS analysis (RR 2) as the analytical techniques. Absolute rate coefficients were determined in a stopped-flow experiment following the ozone depletion by means of UV spectroscopy. The average rate coefficients from the combined investigations representing the mean values of the different experimental methods are (unit: cm(3) molecule(-1) s(-1)): k(O3+β-caryophyllene) = (1.1 ± 0.3) × 10(-14) (methods: RR 1, RR 2, absolute), k(O3+α-humulene) = (1.2 ± 0.3) × 10(-14) (RR 1, RR 2), k(O3+α-cedrene) = (1.7 ± 0.5) × 10(-16) (RR 2, absolute) and k(O3+isolongifolene) = (1.1 ± 0.5) × 10(-17) (RR 2, absolute). The high ozonolysis rate coefficients for β-caryophyllene and α-humulene agree well with the results by Shu and Atkinson (Int. J. Chem. Kinet., 1994, 26) and lead to short atmospheric lifetimes of about two minutes with respect to the ozone reaction. The relatively small rate coefficients for α-cedrene and isolongifolene differ from the available literature values by a factor of about 2.5-6. Possible reasons for the deviations are discussed. Finally, calibrated sesquiterpene FT-IR spectra were recorded for the first time.

  6. Absolute and Relative Reliability of Percentage of Syllables Stuttered and Severity Rating Scales

    ERIC Educational Resources Information Center

    Karimi, Hamid; O'Brian, Sue; Onslow, Mark; Jones, Mark

    2014-01-01

    Purpose: Percentage of syllables stuttered (%SS) and severity rating (SR) scales are measures in common use to quantify stuttering severity and its changes during basic and clinical research conditions. However, their reliability has not been assessed with indices measuring both relative and absolute reliability. This study was designed to provide…

  7. Leak rate estimation of a resistive plate chamber gap by monitoring absolute pressure

    NASA Astrophysics Data System (ADS)

    Mondal, S.; Datar, V. M.; Kalmani, S. D.; Majumder, G.; Mondal, N. K.; Satyanarayana, B.

    2016-11-01

    The differential pressure of a conventional manometer is highly dependent on the atmospheric pressure. The measurements with a manometer for an extended time period show a large variation due to solar atmospheric tides. However, the measurements of absolute pressure, both outside and inside of a resistive plate chamber (RPC), are independent of each other. By monitoring the absolute pressures, both outside and inside of a RPC, along with the temperature, its leakage rate can be estimated. During the test period, the supporting button spacers inside a RPC may get detached due to some manufacturing defect. This effect can be detected clearly by observing the sudden fall of pressure inside the chamber.

  8. Temperature Dependence of the O + HO2 Rate Coefficient

    NASA Technical Reports Server (NTRS)

    Nicovich, J. M.; Wine, P. H.

    1997-01-01

    A pulsed laser photolysis technique has been employed to investigate the kinetics of the radical-radical reaction O((sup 3)P) + HO2 OH + O2 over the temperature range 266-391 K in 80 Torr of N2 diluent gas. O((sup 3)P) was produced by 248.5-nm KrF laser photolysis of O3 followed by rapid quenching of O(1D) to O((sup 3)P) while HO2 was produced by simultaneous photolysis of H2O2 to create OH radicals which, in turn, reacted with H2O2 to yield HO2. The O((sup 3)P) temporal profile was monitored by using time-resolved resonance fluorescence spectroscopy. The HO2 concentration was calculated based on experimentally measured parameters. The following Arrhenius expression describes our experimental results: k(sub 1)(T) equals (2.91 +/- 0.70) x 10(exp -11) exp[(228 +/- 75)/T] where the errors are 2 sigma and represent precision only. The absolute uncertainty in k, at any temperature within the range 266-391 K is estimated to be +/- 22 percent. Our results are in excellent agreement with a discharge flow study of the temperature dependence of k(sub 1) in 1 Torr of He diluent reported by Keyser, and significantly reduce the uncertainty in the rate of this important stratospheric reaction at subambient temperatures.

  9. Cosmological Implications of the Uncertainty in Astrochemical Rate Coefficients

    NASA Technical Reports Server (NTRS)

    Glover, S. C. O.; Savin, D. W.; Jappsen, A.-K.

    2006-01-01

    The cooling of neutral gas of primordial composition, or with very low levels of metal enrichment, depends crucially on the formation of molecular coolants, such as H2 and HD within the gas. Although the chemical reactions involved in the formation and destruction of these molecules are well known, the same cannot be said for the rate coefficients of these reactions, some of which are uncertain by an order of magnitude. Here we discuss two reactions for which large uncertainties exist the formation of H2 by associative detachment of H- with H and the destruction of H- by mutual neutralization with protons. We show that these uncertainties can have a dramatic impact on the effectiveness of cooling during protogalactic collapse.

  10. Absolute rate of the reaction of hydrogen atoms with ozone from 219-360 K

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1978-01-01

    Absolute rate constants for the reaction of atomic hydrogen with ozone were obtained over the temperature range 219-360 K by the flash photolysis-resonance fluorescence technique. The results can be expressed in Arrhenius form by K = (1.33 plus or minus 0.32)x10 to the minus 10 power exp (-449 plus or minus 58/T) cu cm/molecule/s (two standard deviations). The present work is compared to two previous determinations and is discussed theoretically.

  11. Experimental and modeling study of thermal rate coefficients and cross sections for electron attachment to C(60).

    PubMed

    Viggiano, Albert A; Friedman, Jeffrey F; Shuman, Nicholas S; Miller, Thomas M; Schaffer, Linda C; Troe, Jürgen

    2010-05-21

    Thermal electron attachment to C(60) has been studied by relative rate measurements in a flowing afterglow Langmuir probe apparatus. The rate coefficients of the attachment k(1) are shown to be close to 10(-6) cm(3) s(-1) with a small negative temperature coefficient. These results supersede measurements from the 1990s which led to much smaller values of k(1) with a large positive temperature coefficient suggesting an activation barrier. Theoretical modeling of k(1) in terms of generalized Vogt-Wannier capture theory shows that k(1) now looks more consistent with measurements of absolute attachment cross sections sigma(at) than before. The comparison of capture theory and experimental rate or cross section data leads to empirical correction factors, accounting for "intramolecular vibrational relaxation" or "electron-phonon coupling," which reduce k(1) below the capture results and which, on a partial wave-selected level, decrease with increasing electron energy.

  12. Experimental and modeling study of thermal rate coefficients and cross sections for electron attachment to C60

    NASA Astrophysics Data System (ADS)

    Viggiano, Albert A.; Friedman, Jeffrey F.; Shuman, Nicholas S.; Miller, Thomas M.; Schaffer, Linda C.; Troe, Jürgen

    2010-05-01

    Thermal electron attachment to C60 has been studied by relative rate measurements in a flowing afterglow Langmuir probe apparatus. The rate coefficients of the attachment k1 are shown to be close to 10-6 cm3 s-1 with a small negative temperature coefficient. These results supersede measurements from the 1990s which led to much smaller values of k1 with a large positive temperature coefficient suggesting an activation barrier. Theoretical modeling of k1 in terms of generalized Vogt-Wannier capture theory shows that k1 now looks more consistent with measurements of absolute attachment cross sections σat than before. The comparison of capture theory and experimental rate or cross section data leads to empirical correction factors, accounting for "intramolecular vibrational relaxation" or "electron-phonon coupling," which reduce k1 below the capture results and which, on a partial wave-selected level, decrease with increasing electron energy.

  13. Obliquity, precession rate, and nutation coefficients for a set of 100 asteroids

    NASA Astrophysics Data System (ADS)

    Lhotka, C.; Souchay, J.; Shahsavari, A.

    2013-08-01

    Context. Thanks to various space missions and the progress of ground-based observational techniques, the knowledge of asteroids has considerably increased in the recent years. Aims: Due to this increasing database that accompanies this evolution, we compute for a set of 100 asteroids their rotational parameters: the moments of inertia along the principal axes of the object, the obliquity of the axis of rotation with respect to the orbital plane, the precession rates, and the nutation coefficients. Methods: We select 100 asteroids for which the parameters for the study are well-known from observations or space missions. For each asteroid, we determine the moments of inertia, assuming an ellipsoidal shape. We calculate their obliquity from their orbit (instead of the ecliptic) and the orientation of the spin-pole. Finally, we calculate the precession rates and the largest nutation components. The number of asteroids concerned leads to some statistical studies of the output. Results: We provide a table of rotational parameters for our set of asteroids. The table includes the obliquity, their axes ratio, their dynamical ellipticity Hd, and the scaling factor K. We compute the precession rate ψ˙ and the leading nutation coefficients Δψ and Δɛ. We observe similar characteristics, as observed by previous authors that is, a significantly larger number of asteroids rotates in the prograde mode (≈ 60%) than in the retrograde one with a bimodal distribution. In particular, there is a deficiency of objects with a polar axis close to the orbit. The precession rates have a mean absolute value of 18″/y, and the leading nutation coefficients have an average absolute amplitude of 5.7″ for Δψ and 5.2″ for Δɛ. At last, we identify and characterize some cases with large precession rates, as seen in 25143 Itokawa, with has a precession rate of about - 475''/y. Tables 1 and 2 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130

  14. Photolysis Rate Coefficient Calculations in Support of SOLVE II

    NASA Technical Reports Server (NTRS)

    Swartz, William H.

    2005-01-01

    A quantitative understanding of photolysis rate coefficients (or "j-values") is essential to determining the photochemical reaction rates that define ozone loss and other crucial processes in the atmosphere. j-Values can be calculated with radiative transfer models, derived from actinic flux observations, or inferred from trace gas measurements. The primary objective of the present effort was the accurate calculation of j-values in the Arctic twilight along NASA DC-8 flight tracks during the second SAGE III Ozone Loss and Validation Experiment (SOLVE II), based in Kiruna, Sweden (68 degrees N, 20 degrees E) during January-February 2003. The JHU/APL radiative transfer model was utilized to produce a large suite of j-values for photolysis processes (over 70 reactions) relevant to the upper troposphere and lower stratosphere. The calculations take into account the actual changes in ozone abundance and apparent albedo of clouds and the Earth surface along the aircraft flight tracks as observed by in situ and remote sensing platforms (e.g., EP-TOMS). A secondary objective was to analyze solar irradiance data from NCAR s Direct beam Irradiance Atmospheric Spectrometer (DIAS) on-board the NASA DC-8 and to start the development of a flexible, multi-species spectral fitting technique for the independent retrieval of O3,O2.02, and aerosol optical properties.

  15. Learning rates of lq coefficient regularization learning with gaussian kernel.

    PubMed

    Lin, Shaobo; Zeng, Jinshan; Fang, Jian; Xu, Zongben

    2014-10-01

    Regularization is a well-recognized powerful strategy to improve the performance of a learning machine and l(q) regularization schemes with 0 < q < ∞ are central in use. It is known that different q leads to different properties of the deduced estimators, say, l(2) regularization leads to a smooth estimator, while l(1) regularization leads to a sparse estimator. Then how the generalization capability of l(q) regularization learning varies with q is worthy of investigation. In this letter, we study this problem in the framework of statistical learning theory. Our main results show that implementing l(q) coefficient regularization schemes in the sample-dependent hypothesis space associated with a gaussian kernel can attain the same almost optimal learning rates for all 0 < q < ∞. That is, the upper and lower bounds of learning rates for l(q) regularization learning are asymptotically identical for all 0 < q < ∞. Our finding tentatively reveals that in some modeling contexts, the choice of q might not have a strong impact on the generalization capability. From this perspective, q can be arbitrarily specified, or specified merely by other nongeneralization criteria like smoothness, computational complexity or sparsity.

  16. Absolute Density Calibration Cell for Laser Induced Fluorescence Erosion Rate Measurements

    NASA Technical Reports Server (NTRS)

    Domonkos, Matthew T.; Stevens, Richard E.

    2001-01-01

    Flight qualification of ion thrusters typically requires testing on the order of 10,000 hours. Extensive knowledge of wear mechanisms and rates is necessary to establish design confidence prior to long duration tests. Consequently, real-time erosion rate measurements offer the potential both to reduce development costs and to enhance knowledge of the dependency of component wear on operating conditions. Several previous studies have used laser-induced fluorescence (LIF) to measure real-time, in situ erosion rates of ion thruster accelerator grids. Those studies provided only relative measurements of the erosion rate. In the present investigation, a molybdenum tube was resistively heated such that the evaporation rate yielded densities within the tube on the order of those expected from accelerator grid erosion. This work examines the suitability of the density cell as an absolute calibration source for LIF measurements, and the intrinsic error was evaluated.

  17. Proton Transfer Rate Coefficient Measurements of Selected Volatile Organic Molecules

    NASA Astrophysics Data System (ADS)

    Brooke, G.; Popović, S.; Vušković, L.

    2002-05-01

    We have developed an apparatus based on the selected ion flow tube (SIFT)footnote D. Smith and N.G. Adams, Ads. At. Mol. Phys. 24, 1 (1987). that allows the study of proton transfer between various positive ions and volatile organic molecules. Reactions in the flow tube occur at pressures of approximately 300 mTorr, eliminating the requirement of thermal beam production. The proton donor molecule H_3O^+ has been produced using several types of electrical discharges in water vapor, such as a capacitively coupled RF discharge and a DC hollow cathode discharge. Presently we are developing an Asmussen-type microwave cavity discharge using the components of a standard microwave oven that has the advantages of simple design and operation, as well as low cost. We will be presenting the results of the microwave cavity ion source to produce H_3O^+, and compare it to the other studied sources. In addition, we will be presenting a preliminary measurement of the proton transfer rate coefficient in the reaction of H_3O^+ with acetone and methanol.

  18. Absolute rate constant for the reaction of Cl(/sup 2/P) with CINO

    SciTech Connect

    Nesbitt, F.L.; Nava, D.F.; Payne, W.A.; Stief, L.J.

    1987-09-24

    The room temperature rate constant for the reaction Cl + CINO yields Cl/sub 2/ + NO has been measured by the method of discharge flow mass spectrometry. The rate constant was determined from the decay of CINO in the presence of an excess of Cl atoms at a total pressure of 1 Torr. The rate constant obtained was (7.6 +/- 0.8) X 10/sup -11/ cm/sup 3/ s/sup -1/. This result is compared with previous determinations, the values of which ranged by more than an order of magnitude and all of which depended on knowledge of the absolute concentration of CINO. The authors suggest that the lack of agreement is attributable principally to uncertainties in (CINO) resulting from absorption of this reactive species on glass and metal surfaces. Our result does not depend directly on (CINO) and supports the highest values published for this rate constant.

  19. Calibration-free absolute quantification of optical absorption coefficients using acoustic spectra in 3D photoacoustic microscopy of biological tissue.

    PubMed

    Guo, Zijian; Hu, Song; Wang, Lihong V

    2010-06-15

    Optical absorption is closely associated with many physiological important parameters, such as the concentration and oxygen saturation of hemoglobin, and it can be used to quantify the concentrations of nonfluorescent molecules. We propose a method to use acoustic spectra of photoacoustic signals to quantify the absolute optical absorption. This method is self-calibrating and thus insensitive to variations in the optical fluence. Factors such as system bandwidth and acoustic attenuation can affect the quantification but can be canceled by dividing the acoustic spectra measured at two optical wavelengths. Using optical-resolution photoacoustic microscopy, we quantified the absolute optical absorption of black ink samples with various concentrations. We also quantified both the concentration and oxygen saturation of hemoglobin in a live mouse in absolute units.

  20. Absolute Rate Coefficients for F + H(2) and F + D(2) at T = 295 - 765K.

    DTIC Science & Technology

    1982-05-05

    2 at T 295 -765K R. F. HEIDNER III, J. F. BOTT. C. E. GARDNER, and J. E. MELZER Laboratory Operations The Aerospace Corporation El Segundo, CaliL... Corporation , El Segundo, CA 90245, under Contract No. F04701-81-C-0082 with the Space Division, Deputy for Technology, P.O. Box 92960, orldvay Postal...Center, Los Angeles, CA 90009. It was reviewed and approved for The Aerospace Corporation by V. P. Thompson, Director, Aerophysics Laboratory. Lt E

  1. Influence of collisional rate coefficients on water vapour excitation

    NASA Astrophysics Data System (ADS)

    Daniel, F.; Goicoechea, J. R.; Cernicharo, J.; Dubernet, M.-L.; Faure, A.

    2012-11-01

    Context. Water is a key molecule in many astrophysical studies that deal with star or planet forming regions, evolved stars, and galaxies. Its high dipole moment makes this molecule subthermally populated under the typical conditions of most astrophysical objects. This motivated calculation of various sets of collisional rate coefficients (CRC) for H2O (with He or H2), which are needed to model its rotational excitation and line emission. Aims: The most accurate set of CRC are the quantum rates that involve H2. However, they have been published only recently, and less accurate CRC (quantum with He or quantum classical trajectory (QCT) with H2) were used in many studies before that. This work aims to underline the impact that the new available set of CRC have on interpretations of water vapour observations. Methods: We performed accurate non-local, non-LTE radiative transfer calculations using different sets of CRC to predict the line intensities from transitions that involve the lowest energy levels of H2O (E < 900 K). The results obtained from the different CRC sets were then compared using line intensity ratio statistics. Results: For the whole range of physical conditions considered in this work, we find that the intensities based on the quantum and QCT CRC are in good agreement. However, at relatively low H2 volume density (n(H2) < 107 cm-3) and low water abundance (χ(H2O) < 10-6), which corresponds to physical conditions relevant when describing most molecular clouds, we find differences in the predicted line intensities of up to a factor of ~3 for the bulk of the lines. Most of the recent studies interpreting early Herschel Space Observatory spectra have used the QCT CRC. Our results show that, although the global conclusions from those studies will not be drastically changed, each case has to be considered individually, since depending on the physical conditions, the use of the QCT CRC may lead to a mis-estimate of the water vapour abundance of up to a

  2. Direct Determination of the Rate Coefficient for the Reaction of OH Radicals with Monoethanol Amine (MEA) from 296 to 510 K.

    PubMed

    Onel, L; Blitz, M A; Seakins, P W

    2012-04-05

    Monoethanol amine (H2NCH2CH2OH, MEA) has been proposed for large-scale use in carbon capture and storage. We present the first absolute, temperature-dependent determination of the rate coefficient for the reaction of OH with MEA using laser flash photolysis for OH generation, monitoring OH removal by laser-induced fluorescence. The room-temperature rate coefficient is determined to be (7.61 ± 0.76) × 10(-11) cm(3) molecule(-1) s(-1), and the rate coefficient decreases by about 40% by 510 K. The temperature dependence of the rate coefficient is given by k1= (7.73 ± 0.24) × 10(-11)(T/295)(-(0.79±0.11)) cm(3) molecule(-1) s(-1). The high rate coefficient shows that gas-phase processing in the atmosphere will be competitive with uptake onto aerosols.

  3. Absolute determination of the Na22(p,γ)Mg23 reaction rate in novae

    NASA Astrophysics Data System (ADS)

    Sallaska, A. L.; Wrede, C.; García, A.; Storm, D. W.; Brown, T. A. D.; Ruiz, C.; Snover, K. A.; Ottewell, D. F.; Buchmann, L.; Vockenhuber, C.; Hutcheon, D. A.; Caggiano, J. A.; José, J.

    2011-03-01

    Gamma-ray telescopes in orbit around the earth are searching for evidence of the elusive radionuclide Na22 produced in novae. Previously published uncertainties in the dominant destructive reaction, Na22(p,γ)Mg23, indicated new measurements in the proton energy range of 150 to 300 keV were needed to constrain predictions. We have measured the resonance strengths, energies, and branches directly and absolutely by using protons from the University of Washington accelerator with a specially designed beam line, which included beam rastering and cold vacuum protection of the Na22 implanted targets. The targets, fabricated at TRIUMF-ISAC, displayed minimal degradation over a ~20 C bombardment as a result of protective layers. We avoided the need to know the absolute stopping power, and hence the target composition, by extracting resonance strengths from excitation functions integrated over proton energy. Our measurements revealed that resonance strengths for Ep=213, 288, 454, and 610 keV are stronger by factors of 2.4-3.2 than previously reported. Upper limits have been placed on proposed resonances at 198, 209, and 232 keV. These substantially reduce the uncertainty in the reaction rate. We have re-evaluated the Na22(p,γ) reaction rate, and our measurements indicate the resonance at 213 keV makes the most significant contribution to Na22 destruction in novae. Hydrodynamic simulations including our rate indicate that the expected abundance of Na22 ejecta from a classical nova is reduced by factors between 1.5 and 2, depending on the mass of the white-dwarf star hosting the nova explosion.

  4. The Br+HO 2 reaction revisited: Absolute determination of the rate constant at 298 K

    NASA Astrophysics Data System (ADS)

    Laverdet, G.; Le Bras, G.; Mellouki, A.; Poulet, G.

    1990-09-01

    The absolute determination of the rate constant for the reaction Br+HO 2→HBr+O 2 has been done at 298 K using the discharge-flor EPR method. The value k1 = (1.5±0.2) × 10 -12 cm 3 molecule -1 s -1 was obtained. Previous indirect measurements of k1 from a discharge-flow, LIF/mass spectrometric study of the Br/H 2CO/O 2 system have been reinterpreted, leading to values for k1 ranging from 1.0 × 10 -12 to 2.2 × 10 -12 cm 3 molecule -1 s -1 at 298 K. These results are discussed and compared with other literature values.

  5. Absolute measurement of cerebral optical coefficients, hemoglobin concentration and oxygen saturation in old and young adults with near-infrared spectroscopy.

    PubMed

    Hallacoglu, Bertan; Sassaroli, Angelo; Wysocki, Michael; Guerrero-Berroa, Elizabeth; Schnaider Beeri, Michal; Haroutunian, Vahram; Shaul, Merav; Rosenberg, Irwin H; Troen, Aron M; Fantini, Sergio

    2012-08-01

    We present near-infrared spectroscopy measurement of absolute cerebral hemoglobin concentration and saturation in a large sample of 36 healthy elderly (mean age, 85 ± 6 years) and 19 young adults (mean age, 28 ± 4 years). Non-invasive measurements were obtained on the forehead using a commercially available multi-distance frequency-domain system and analyzed using a diffusion theory model for a semi-infinite, homogeneous medium with semi-infinite boundary conditions. Our study included repeat measurements, taken five months apart, on 16 elderly volunteers that demonstrate intra-subject reproducibility of the absolute measurements with cross-correlation coefficients of 0.9 for absorption coefficient (μa), oxy-hemoglobin concentration ([HbO2]), and total hemoglobin concentration ([HbT]), 0.7 for deoxy-hemoglobin concentration ([Hb]), 0.8 for hemoglobin oxygen saturation (StO2), and 0.7 for reduced scattering coefficient (μ's). We found significant differences between the two age groups. Compared to young subjects, elderly subjects had lower cerebral [HbO2], [Hb], [HbT], and StO2 by 10 ± 4 μM, 4 ± 3 μM, 14 ± 5 μM, and 6%±5%, respectively. Our results demonstrate the reliability and robustness of multi-distance near-infrared spectroscopy measurements based on a homogeneous model in the human forehead on a large sample of human subjects. Absolute, non-invasive optical measurements on the brain, such as those presented here, can significantly advance the development of NIRS technology as a tool for monitoring resting/basal cerebral perfusion, hemodynamics, oxygenation, and metabolism.

  6. Absolute absorption coefficient of C6H2 in the mid-UV range at low temperature; implications for the interpretation of Titan atmospheric spectra.

    PubMed

    Bénilan, Y; Bruston, P; Raulin, F; Courtin, R; Guillemin, J C

    1995-01-01

    The interpretation of mid-UV albedo spectra of planetary atmospheres, especially that of Titan, is the main goal of the SIPAT (Spectroscopie uv d'Interet Prebiologique dans l'Atmosphere de Titan) research program. This laboratory experiment has been developed in order to systematically determine the absorption coefficients of molecular compounds which are potential absorbers of scattered sunlight in planetary atmospheres, with high spectral resolution, and at various temperatures below room temperature. From photochemical modelling and experimental simulations, we may expect triacetylene (C6H2) to be present in the atmosphere of Titan, even though it has not yet been detected. We present here the first determination of the absolute absorption coefficient of that compound in the 200-300 nm range and at two temperatures (296 K and 233 K). The temperature dependence of the C6H2 absorption coefficient in that wavelength range is compared to that previously observed in the case of cyanoacetylene (HC3N). We then discuss the implications of the present results for the interpretation of Titan UV spectra, where it appears that large uncertainities can be introduced either by the presence of trace impurities in laboratory samples or by the variations of absorption coefficients with temperature.

  7. A potential for overestimating the absolute magnitudes of second virial coefficients by small-angle X-ray scattering.

    PubMed

    Scott, David J; Patel, Trushar R; Winzor, Donald J

    2013-04-15

    Theoretical consideration is given to the effect of cosolutes (including buffer and electrolyte components) on the determination of second virial coefficients for proteins by small-angle X-ray scattering (SAXS)-a factor overlooked in current analyses in terms of expressions for a two-component system. A potential deficiency of existing practices is illustrated by reassessment of published results on the effect of polyethylene glycol concentration on the second virial coefficient for urate oxidase. This error reflects the substitution of I(0,c3,0), the scattering intensity in the limit of zero scattering angle and solute concentration, for I(0,0,0), the corresponding parameter in the limit of zero cosolute concentration (c3) as well. Published static light scattering results on the dependence of the apparent molecular weight of ovalbumin on buffer concentration are extrapolated to zero concentration to obtain the true value (M2) and thereby establish the feasibility of obtaining the analogous SAXS parameter, I(0,0,0), experimentally.

  8. Temperature dependences of rate coefficients for electron catalyzed mutual neutralization

    NASA Astrophysics Data System (ADS)

    Shuman, Nicholas S.; Miller, Thomas M.; Friedman, Jeffrey F.; Viggiano, Albert A.; Maeda, Satoshi; Morokuma, Keiji

    2011-07-01

    The flowing afterglow technique of variable electron and neutral density attachment mass spectrometry (VENDAMS) has recently yielded evidence for a novel plasma charge loss process, electron catalyzed mutual neutralization (ECMN), i.e., A+ + B- + e- → A + B + e-. Here, rate constants for ECMN of two polyatomic species (POCl3- and POCl2-) and one diatomic species (Br2-) each with two monatomic cations (Ar+and Kr+) are measured using VENDAMS over the temperature range 300 K-500 K. All rate constants show a steep negative temperature dependence, consistent with that expected for a three body process involving two ions and an electron. No variation in rate constants as a function of the cation type is observed outside of uncertainty; however, rate constants of the polyatomic anions (˜1 × 10-18 cm6 s-1 at 300 K) are measurably higher than that for Br2- [(5.5 ± 2) × 10-19 cm6 s-1 at 300 K].

  9. Temperature dependences of rate coefficients for electron catalyzed mutual neutralization

    SciTech Connect

    Shuman, Nicholas S.; Miller, Thomas M.; Friedman, Jeffrey F.; Viggiano, Albert A.; Maeda, Satoshi; Morokuma, Keiji

    2011-07-14

    The flowing afterglow technique of variable electron and neutral density attachment mass spectrometry (VENDAMS) has recently yielded evidence for a novel plasma charge loss process, electron catalyzed mutual neutralization (ECMN), i.e., A{sup +}+ B{sup -}+ e{sup -}{yields} A + B + e{sup -}. Here, rate constants for ECMN of two polyatomic species (POCl{sub 3}{sup -} and POCl{sub 2}{sup -}) and one diatomic species (Br{sub 2}{sup -}) each with two monatomic cations (Ar{sup +}and Kr{sup +}) are measured using VENDAMS over the temperature range 300 K-500 K. All rate constants show a steep negative temperature dependence, consistent with that expected for a three body process involving two ions and an electron. No variation in rate constants as a function of the cation type is observed outside of uncertainty; however, rate constants of the polyatomic anions ({approx}1 x 10{sup -18} cm{sup 6} s{sup -1} at 300 K) are measurably higher than that for Br{sub 2}{sup -}[(5.5 {+-} 2) x 10{sup -19} cm{sup 6} s{sup -1} at 300 K].

  10. Refinement of the aeronomically determined rate coefficient for the reaction of N2/+/ with O

    NASA Technical Reports Server (NTRS)

    Torr, D. G.

    1979-01-01

    An earlier aeronomic determination of the rate coefficient for the reaction N2(+) + O yields NO(+) + N using Atmosphere Explorer data indicated a small increase in the rate coefficient with ion temperature, contrary to laboratory observations. This was incorrectly attributed to neglect of an increase in the N2(+) recombination rate with vibrational excitation. Recent aeronomical results have shown that the rate coefficient for charge exchange of O(+)(2D) with N2 is about an order of magnitude smaller at thermal temperatures than at energies greater than 0.5 eV (i.e., energies at which laboratory measurements have been made). It is shown that the use of the smaller charge exchange rate coefficient coupled with recent results on N2 quenching of O(+)(2D) yields a temperature dependence in excellent agreement with the laboratory results for the rate coefficient.

  11. Subjective evaluation of HDTV stereoscopic videos in IPTV scenarios using absolute category rating

    NASA Astrophysics Data System (ADS)

    Wang, K.; Barkowsky, M.; Cousseau, R.; Brunnström, K.; Olsson, R.; Le Callet, P.; Sjöström, M.

    2011-03-01

    Broadcasting of high definition (HD) stereobased 3D (S3D) TV are planned, or has already begun, in Europe, the US, and Japan. Specific data processing operations such as compression and temporal and spatial resampling are commonly used tools for saving network bandwidth when IPTV is the distribution form, as this results in more efficient recording and transmission of 3DTV signals, however at the same time it inevitably brings quality degradations to the processed video. This paper investigated observers quality judgments of state of the art video coding schemes (simulcast H.264/AVC or H.264/MVC), with or without added temporal and spatial resolution reduction of S3D videos, by subjective experiments using the Absolute Category Rating method (ACR) method. The results showed that a certain spatial resolution reduction working together with high quality video compressing was the most bandwidth efficient way of processing video data when the required video quality is to be judged as "good" quality. As the subjective experiment was performed in two different laboratories in two different countries in parallel, a detailed analysis of the interlab differences was performed.

  12. Coordinate-dependent diffusion coefficients: Decay rate in open quantum systems

    SciTech Connect

    Sargsyan, V. V.; Palchikov, Yu. V.; Antonenko, N. V.; Kanokov, Z.; Adamian, G. G.

    2007-06-15

    Based on a master equation for the reduced density matrix of an open quantum collective system, the influence of coordinate-dependent microscopical diffusion coefficients on the decay rate from a metastable state is treated. For various frictions and temperatures larger than a crossover temperature, the quasistationary decay rates obtained with the coordinate-dependent microscopical set of diffusion coefficients are compared with those obtained with the coordinate-independent microscopical set of diffusion coefficients and coordinate-independent and -dependent phenomenological sets of diffusion coefficients. Neglecting the coordinate dependence of diffusion coefficients, one can strongly overestimate or underestimate the decay rate at low temperature. The coordinate-dependent phenomenological diffusion coefficient in momentum are shown to be suitable for applications.

  13. Improvement of simple models for state-to-state and multi-temperature reaction rate coefficients

    NASA Astrophysics Data System (ADS)

    Kustova, E. V.; Savelev, A. S.; Sharafutdinov, I. Z.

    2016-11-01

    We propose a simple and accurate model for state-specific dissociation rate coefficients based on the widely used Treanor-Marrone model. It takes into account the dependence of the parameter in the Treanor-Marrone model on temperature and vibrational level and can be used with arbitrary vibrational ladder. The model is validated by comparisons with state-specific dissociation rate coefficients of O2 and N2 obtained using molecular dynamics, and its good accuracy is demonstrated. Two-temperature dissociation rate coefficients are derived averaging the state-specific non-equilibrium factors with different vibrational distributions. The two-temperature rate coefficients are compared with those given by the empirical Park model and coefficients extracted from shock-tube measurements.

  14. Atmospheric chemistry of (Z)-CF3CH═CHCF3: OH radical reaction rate coefficient and global warming potential.

    PubMed

    Baasandorj, Munkhbayar; Ravishankara, A R; Burkholder, James B

    2011-09-29

    Rate coefficients, k, for the gas-phase reaction of the OH radical with (Z)-CF(3)CH═CHCF(3) (cis-1,1,1,4,4,4-hexafluoro-2-butene) were measured under pseudo-first-order conditions in OH using pulsed laser photolysis (PLP) to produce OH and laser-induced fluorescence (LIF) to detect it. Rate coefficients were measured over a range of temperatures (212-374 K) and bath gas pressures (20-200 Torr; He, N(2)) and found to be independent of pressure over this range of conditions. The rate coefficient has a non-Arrhenius behavior that is well-described by the expression k(1)(T) = (5.73 ± 0.60) × 10(-19) × T(2) × exp[(678 ± 10)/T] cm(3) molecule(-1) s(-1) where k(1)(296 K) was measured to be (4.91 ± 0.50) × 10(-13) cm(3) molecule(-1) s(-1) and the uncertainties are at the 2σ level and include estimated systematic errors. Rate coefficients for the analogous OD radical reaction were determined over a range of temperatures (262-374 K) at 100 Torr (He) to be k(2)(T) = (4.81 ± 0.20) × 10(-19) × T(2) × exp[(776 ± 15)/T], with k(2)(296 K) = (5.73 ± 0.50) × 10(-13) cm(3) molecule(-1) s(-1). OH radical rate coefficients were also measured at 296, 345, and 375 K using a relative rate technique and found to be in good agreement with the PLP-LIF results. A room-temperature rate coefficient for the O(3) + (Z)-CF(3)CH═CHCF(3) reaction was measured using an absolute method with O(3) in excess to be <6 × 10(-21) cm(3) molecule(-1) s(-1). The atmospheric lifetime of (Z)-CF(3)CH═CHCF(3) due to loss by OH reaction was estimated to be ~20 days. Infrared absorption spectra of (Z)-CF(3)CH═CHCF(3) measured in this work were used to determine a (Z)-CF(3)CH═CHCF(3) global warming potential (GWP) of ~9 for the 100 year time horizon. A comparison of the OH reactivity of (Z)-CF(3)CH═CHCF(3) with other unsaturated fluorinated compounds is presented.

  15. Simultaneous estimation of lithospheric uplift rates and absolute sea level change in southwest Scandinavia from inversion of sea level data

    NASA Astrophysics Data System (ADS)

    Nielsen, Lars; Hansen, Jens Morten; Hede, Mikkel Ulfeldt; Clemmensen, Lars B.; Pejrup, Morten; Noe-Nygaard, Nanna

    2014-11-01

    Relative sea level curves contain coupled information about absolute sea level change and vertical lithospheric movement. Such curves may be constructed based on, for example tide gauge data for the most recent times and different types of geological data for ancient times. Correct account for vertical lithospheric movement is essential for estimation of reliable values of absolute sea level change from relative sea level data and vise versa. For modern times, estimates of vertical lithospheric movement may be constrained by data (e.g. GPS-based measurements), which are independent from the relative sea level data. Similar independent data do not exist for ancient times. The purpose of this study is to test two simple inversion approaches for simultaneous estimation of lithospheric uplift rates and absolute sea level change rates for ancient times in areas where a dense coverage of relative sea level data exists and well-constrained average lithospheric movement values are known from, for example glacial isostatic adjustment (GIA) models. The inversion approaches are tested and used for simultaneous estimation of lithospheric uplift rates and absolute sea level change rates in southwest Scandinavia from modern relative sea level data series that cover the period from 1900 to 2000. In both approaches, a priori information is required to solve the inverse problem. A priori information about the average vertical lithospheric movement in the area of interest is critical for the quality of the obtained results. The two tested inversion schemes result in estimated absolute sea level rise of ˜1.2/1.3 mm yr-1 and vertical uplift rates ranging from approximately -1.4/-1.2 mm yr-1 (subsidence) to about 5.0/5.2 mm yr-1 if an a priori value of 1 mm yr-1 is used for the vertical lithospheric movement throughout the study area. In case the studied time interval is broken into two time intervals (before and after 1970), absolute sea level rise values of ˜0.8/1.2 mm yr-1 (before

  16. Rate Coefficient Measurements of the Reaction CH3+O2+CH3O+O

    NASA Technical Reports Server (NTRS)

    Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.

    1999-01-01

    Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, -0.47)) X 10(exp 13) exp(- 15813 +/- 587 K/T)cc/mol s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.

  17. Rate Coefficient Measurements of the Reaction CH3 + O2 = CH3O + O

    NASA Technical Reports Server (NTRS)

    Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.

    1999-01-01

    Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, sub -0.47 ) x 10(exp 13) e(-15813 +/- 587 K/T)/cubic cm.mol.s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.

  18. New potential energy surface for the HCS(+)-He system and inelastic rate coefficients.

    PubMed

    Dubernet, Marie-Lise; Quintas-Sánchez, Ernesto; Tuckey, Philip

    2015-07-28

    A new high quality potential energy surface is calculated at a coupled-cluster single double triple level with an aug-cc-pV5Z basis set for the HCS(+)-He system. This potential energy surface is used in low energy quantum scattering calculations to provide a set of (de)-excitation cross sections and rate coefficients among the first 20 rotational levels of HCS(+) by He in the range of temperature from 5 K to 100 K. The paper discusses the impact of the new ab initio potential energy surface on the cross sections at low energy and provides a comparison with the HCO(+)-He system. The HCS(+)-He rate coefficients for the strongest transitions differ by factors of up to 2.5 from previous rate coefficients; thus, analysis of astrophysical spectra should be reconsidered with the new rate coefficients.

  19. Rate coefficients of hydroxyl radical reactions with pesticide molecules and related compounds: A review

    NASA Astrophysics Data System (ADS)

    Wojnárovits, László; Takács, Erzsébet

    2014-03-01

    Rate coefficients published in the literature on hydroxyl radical reactions with pesticides and related compounds are discussed together with the experimental methods and the basic reaction mechanisms. Recommendations are made for the most probable values. Most of the molecules whose rate coefficients are discussed have aromatic ring: their rate coefficients are in the range of 2×109-1×1010 mol-1 dm3 s-1. The rate coefficients show some variation with the electron withdrawing-donating nature of the substituent on the ring. The rate coefficients for triazine pesticides (simazine, atrazine, prometon) are all around 2.5×109 mol-1 dm3 s-1. The values do not show variation with the substituent on the s-triazine ring. The rate coefficients for the non-aromatic molecules which have C=C double bonds or several C-H bonds may also be above 1×109 mol-1 dm3 s-1. However, the values for molecules without C=C double bonds or several C-H bonds are in the 1×107-1×109 mol-1 dm3 s-1 range.

  20. HTO washout model: on the relationship between exchange rate and washout coefficient

    SciTech Connect

    Golubev, A.; Balashov, Y.; Mavrin, S.; Golubeva, V.; Galeriu, D.

    2015-03-15

    Washout coefficient Λ is widely used as a parameter in washout models. These models describes overall HTO washout with rain by a first-order kinetic equation, while washout coefficient Λ depends on the type of rain event and rain intensity and empirical parameters a, b. The washout coefficient is a macroscopic parameter and we have considered in this paper its relationship with a microscopic rate K of HTO isotopic exchange in atmospheric humidity and drops of rainwater. We have shown that the empirical parameters a, b can be represented through the rain event characteristics using the relationships of molecular impact rate, rain intensity and specific rain water content while washout coefficient Λ can be represented through the exchange rate K, rain intensity, raindrop diameter and terminal raindrop velocity.

  1. Calculated diffusion coefficients and the growth rate of olivine in a basalt magma

    NASA Technical Reports Server (NTRS)

    Donaldson, C. H.

    1975-01-01

    Concentration gradients in glass adjacent to skeletal olivines in a basalt have been examined by electron probe. The glass is depleted in Mg, Fe, and Cr and enriched in Si, Al, Na, and Ca relative to that far from olivine. Ionic diffusion coefficients for the glass compositions are calculated from temperature, ionic radius and melt viscosity, using the Stokes-Einstein relation. At 1170 C, the diffusion coefficient of Mg(2+) ions in the basalt is 4.5 billionths sq cm per sec. Comparison with measured diffusion coefficients in a mugearite suggests this value may be 16 times too small. The concentration gradient data and the diffusion coefficients are used to calculate instantaneous olivine growth rates. Growth necessarily preceded emplacement such that the composition of the crystals plus the enclosing glass need not be that of a melt. The computed olivine growth rates are compatible with the rate of crystallization deduced for the Skaegaard intrusion.

  2. Determination of subjective similarity for pairs of masses and pairs of clustered microcalcifications on mammograms: Comparison of similarity ranking scores and absolute similarity ratings

    SciTech Connect

    Muramatsu, Chisako; Li Qiang; Schmidt, Robert A.; Shiraishi, Junji; Suzuki, Kenji; Newstead, Gillian M.; Doi, Kunio

    2007-07-15

    The presentation of images that are similar to that of an unknown lesion seen on a mammogram may be helpful for radiologists to correctly diagnose that lesion. For similar images to be useful, they must be quite similar from the radiologists' point of view. We have been trying to quantify the radiologists' impression of similarity for pairs of lesions and to establish a ''gold standard'' for development and evaluation of a computerized scheme for selecting such similar images. However, it is considered difficult to reliably and accurately determine similarity ratings, because they are subjective. In this study, we compared the subjective similarities obtained by two different methods, an absolute rating method and a 2-alternative forced-choice (2AFC) method, to demonstrate that reliable similarity ratings can be determined by the responses of a group of radiologists. The absolute similarity ratings were previously obtained for pairs of masses and pairs of microcalcifications from five and nine radiologists, respectively. In this study, similarity ranking scores for eight pairs of masses and eight pairs of microcalcifications were determined by use of the 2AFC method. In the first session, the eight pairs of masses and eight pairs of microcalcifications were grouped and compared separately for determining the similarity ranking scores. In the second session, another similarity ranking score was determined by use of mixed pairs, i.e., by comparison of the similarity of a mass pair with that of a calcification pair. Four pairs of masses and four pairs of microcalcifications were grouped together to create two sets of eight pairs. The average absolute similarity ratings and the average similarity ranking scores showed very good correlations in the first study (Pearson's correlation coefficients: 0.94 and 0.98 for masses and microcalcifications, respectively). Moreover, in the second study, the correlations between the absolute ratings and the ranking scores were also

  3. Determination of mantle upwelling rate beneath Taiyuan basin by using absolute gravity, GPS, groundwater and GLDAS data

    NASA Astrophysics Data System (ADS)

    Xing, Lelin; Wang, Linhai; Hu, Minzhang

    2017-03-01

    The Taiyuan basin is in the Shanxi rift system of China. Results of tectonic studies indicate that the Moho is uplifted by 2-3 km under the Taiyuan basin. However, there is no quantitative evidence showing whether the rift is still in the status of mantle upwelling. Herein, we estimated mantle upwelling rate of Taiyuan basin by using absolute gravity, GPS, groundwater and GLDAS data in this paper. In order to utilize the absolute gravity measurements in terms of tectonic study it is necessary to reduce all disturbing environmental effects. Many of those can be modeled, such as tide, polar motion, ocean tidal loading and atmospheric mass components. The Taiyuan station located in the Taiyuan basin, and absolute gravity measurements with a FG5 instrument were performed from 2009 to 2014, a secular trend was obtained. In-situ GPS data was used to estimate the vertical motion rate since 2011, and the result indicated a land subsidence. In-situ groundwater level was collected with daily surveys from 2009 to 2015, and local hydrology impact on effect was made. The global terrestrial water storage loading effect on gravity at Taiyuan station was computed by using GLDAS global hydrology model. Furthermore there is a good agreement between GRACE results and GLDAS hydrological model results. Subtracting the gravity change rate attributable to the land subsidence, groundwater level and global hydrology from the absolute gravity change rate, the residual gravity change rate was obtained. It reflects mantle upwelling about 2.1 ± 2.6 cm/yr beneath Taiyuan basin.

  4. Collisional Dissociation of CO: ab initio Potential Energy Surfaces and Quasiclassical Trajectory Rate Coefficients

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Jaffe, Richard L.; Chaban, Galina M.

    2016-01-01

    We have generated accurate global potential energy surfaces for CO+Ar and CO+O that correlate with atom-diatom pairs in their ground electronic states based on extensive ab initio electronic structure calculations and used these potentials in quasi-classical trajectory nuclear dynamics calculations to predict the thermal dissociation rate coefficients over 5000- 35000 K. Our results are not compatible with the 20-45 year old experimental results. For CO + Ar we obtain fairly good agreement with the experimental rate coefficients of Appleton et al. (1970) and Mick and Roth (1993), but our computed rate coefficients exhibit a stronger temperature dependence. For CO + O our dissociation rate coefficient is in close agreement with the value from the Park model, which is an empirical adjustment of older experimental results. However, we find the rate coefficient for CO + O is only 1.5 to 3.3 times larger than CO + Ar over the temperature range of the shock tube experiments (8000-15,000 K). The previously accepted value for this rate coefficient ratio is 15, independent of temperature. We also computed the rate coefficient for the CO + O ex- change reaction which forms C + O2. We find this reaction is much faster than previously believed and is the dominant process in the removal of CO at temperatures up to 16,000 K. As a result, the dissociation of CO is accomplished in two steps (react to form C+O2 and then O2 dissociates) that are endothermic by 6.1 and 5.1 eV, instead of one step that requires 11.2 eV to break the CO bond.

  5. Inelastic rate coefficients for collisions of C6H- with H2 and He

    NASA Astrophysics Data System (ADS)

    Walker, Kyle M.; Lique, François; Dumouchel, Fabien; Dawes, Richard

    2017-04-01

    The recent detection of anions in the interstellar medium has shown that they exist in a variety of astrophysical environments - circumstellar envelopes, cold dense molecular clouds and star-forming regions. Both radiative and collisional processes contribute to molecular excitation and de-excitation in these regions so that the 'local thermodynamic equilibrium' approximation, where collisions cause the gas to behave thermally, is not generally valid. Therefore, along with radiative coefficients, collisional excitation rate coefficients are needed to accurately model the anionic emission from these environments. We focus on the calculation of state-to-state rate coefficients of the C6H- molecule in its ground vibrational state in collisions with para-H2, ortho-H2 and He using new potential energy surfaces. Dynamical calculations for the pure rotational excitation of C6H- were performed for the first 11 rotational levels (up to j1 = 10) using the close-coupling method, while the coupled-states approximation was used to extend the H2 rate coefficients to j1 = 30, where j1 is the angular momentum quantum number of C6H-. State-to-state rate coefficients were obtained for temperatures ranging from 2 to 100 K. The rate coefficients for H2 collisions for Δj1 = -1 transitions are of the order of 10-10 cm3 s-1, a factor of 2 to 3 greater than those of He. Propensity rules are discussed. The collisional excitation rate coefficients produced here impact astrophysical modelling since they are required for obtaining accurate C6H- level populations and line emission for regions that contain anions.

  6. Absolute rate constant of the reaction between chlorine /2P/ atoms and hydrogen peroxide from 298 to 424 K

    NASA Technical Reports Server (NTRS)

    Keyser, L. F.

    1980-01-01

    The absolute rate constant of the reaction between chlorine (2P) atoms and hydrogen peroxide was determined from 298 to 424 K, using the discharge flow resonance fluorescence technique. Pseudo-first-order conditions were used with hydrogen peroxide in large excess. A fast flow-sampling procedure limited hydrogen peroxide decomposition to less than 5% over the temperature range studied. At 298 K, the rate constant is (4.1 plus or minus 0.2) x 10 to the minus 13th cu cm/molecule-sec.

  7. Recommended Thermal Rate Coefficients for the C + H3 + Reaction and Some Astrochemical Implications

    NASA Astrophysics Data System (ADS)

    Vissapragada, S.; Buzard, C. F.; Miller, K. A.; O'Connor, A. P.; de Ruette, N.; Urbain, X.; Savin, D. W.

    2016-11-01

    We incorporate our experimentally derived thermal rate coefficients for C + {{{H}}}3+ forming CH+ and CH2 + into a commonly used astrochemical model. We find that the Arrhenius-Kooij equation typically used in chemical models does not accurately fit our data and instead we use a more versatile fitting formula. At a temperature of 10 K and a density of 104 cm-3, we find no significant differences in the predicted chemical abundances, but at higher temperatures of 50, 100, and 300 K we find up to factor of 2 changes. In addition, we find that the relatively small error on our thermal rate coefficients, ˜15%, significantly reduces the uncertainties on the predicted abundances compared to those obtained using the currently implemented Langevin rate coefficient with its estimated factor of 2 uncertainty.

  8. Comparison of monoenergetic photon organ dose rate coefficients for stylized and voxel phantoms submerged in air

    SciTech Connect

    Bellamy, Michael B.; Hiller, Mauritius M.; Dewji, Shaheen A.; Veinot, Kenneth G.; Leggett, Richard Wayne; Eckerman, Keith F.; Easterly, Clay E.; Hertel, Nolan E.

    2016-02-01

    As part of a broader effort to calculate effective dose rate coefficients for external exposure to photons and electrons emitted by radionuclides distributed in air, soil or water, age-specific stylized phantoms have been employed to determine dose coefficients relating dose rate to organs and tissues in the body. In this article, dose rate coefficients computed using the International Commission on Radiological Protection reference adult male voxel phantom are compared with values computed using the Oak Ridge National Laboratory adult male stylized phantom in an air submersion exposure geometry. Monte Carlo calculations for both phantoms were performed for monoenergetic source photons in the range of 30 keV to 5 MeV. Furthermore, these calculations largely result in differences under 10 % for photon energies above 50 keV, and it can be expected that both models show comparable results for the environmental sources of radionuclides.

  9. Comparison of monoenergetic photon organ dose rate coefficients for stylized and voxel phantoms submerged in air

    DOE PAGES

    Bellamy, Michael B.; Hiller, Mauritius M.; Dewji, Shaheen A.; ...

    2016-02-01

    As part of a broader effort to calculate effective dose rate coefficients for external exposure to photons and electrons emitted by radionuclides distributed in air, soil or water, age-specific stylized phantoms have been employed to determine dose coefficients relating dose rate to organs and tissues in the body. In this article, dose rate coefficients computed using the International Commission on Radiological Protection reference adult male voxel phantom are compared with values computed using the Oak Ridge National Laboratory adult male stylized phantom in an air submersion exposure geometry. Monte Carlo calculations for both phantoms were performed for monoenergetic source photonsmore » in the range of 30 keV to 5 MeV. Furthermore, these calculations largely result in differences under 10 % for photon energies above 50 keV, and it can be expected that both models show comparable results for the environmental sources of radionuclides.« less

  10. Determination of collisional quenching rate coefficients of metastable nitrogen molecules by air pollutants

    NASA Astrophysics Data System (ADS)

    Suzuki, Susumu; Itoh, Haruo

    2009-10-01

    It has already been investigated on the determination of the collisional quenching rate coefficients of the metastable nitrogen molecules N2(A^3σu^+ ) by some air pollutants [1] in our laboratory. In this report, we present the result on the collisional quenching rate coefficient of N2(A^3σu^+ ) by formaldehyde (CH2O) using a theoretical procedure that takes into account the reflection of metastables at the boundary. As far as we know, this report is the first result of the collisional quenching rate coefficients of N2(A^3σu^+ ) by CH2O. Formaldehyde is a colorless gas with the foul odor, and elements of the adhesive, paints, and preservative, etc. It is widely used for construction materials such as houses, because it is low cost. It is released from paint of construction materials in air, and, in that case, it is known as one of the causative agents of so-called ``Sick building syndrome'' to influence the human body harmfully even if it is a low concentration. The obtained collisional quenching rate coefficient of N2(A^3σu^+ ) by CH2O is (4.7±0.4) x 10-12 cm^3/s. Because the collisional quenching rate coefficient by CH2O is large, it is understood that CH2O receives energy easily from N2(A^3σu^+ ). In addition, we reports on the obtained collisional quenching rate coefficient of N2(A^3σu^+ ) by some air pollutants. [1] S. Suzuki, T.Suzuki and H.Itoh: Proc. of XXVIII ICPIG (Prague, Czech Republic), (2007) 1P01-40.

  11. An accurate analytic representation of the temperature dependence of nonresonant nuclear reaction rate coefficients

    NASA Astrophysics Data System (ADS)

    Shizgal, Bernie D.

    2016-12-01

    There has been intense interest for several decades by different research groups to accurately model the temperature dependence of a large number of nuclear reaction rate coefficients for both light and heavy nuclides. The rate coefficient, k(T) , is given by the Maxwellian average of the reactive cross section expressed in terms of the astrophysical factor, S(E) , which for nonresonant reactions is generally written as a power series in the relative energy E. A computationally efficient algorithm for the temperature dependence of nuclear reaction rate coefficients is required for fusion reactor research and for models of nucleosynthesis and stellar evolution. In this paper, an accurate analytical expression for the temperature dependence of nuclear reaction rate coefficients is provided in terms of τ = 3(b / 2) 2/3 or equivalently, T - 1/3 , where b = B /√{kB T }, B is the Gamow factor and kB is the Boltzmann constant. The methodology is appropriate for all nonresonant nuclear reactions for which S(E) can be represented as a power series in E. The explicit expression for the rate coefficient versus temperature is derived with the asymptotic expansions of the moments of w(E) = exp(- E /kB T - B /√{ E }) in terms of τ. The zeroth order moment is the familiar Gaussian approximation to the rate coefficient. Results are reported for the representative reactions D(d, p)T, D(d, n)3He and 7Li(p, α) α and compared with several different fitting procedures reported in the literature.

  12. RATE COEFFICIENTS FOR THE COLLISIONAL EXCITATION OF MOLECULES: ESTIMATES FROM AN ARTIFICIAL NEURAL NETWORK

    SciTech Connect

    Neufeld, David A.

    2010-01-01

    An artificial neural network (ANN) is investigated as a tool for estimating rate coefficients for the collisional excitation of molecules. The performance of such a tool can be evaluated by testing it on a data set of collisionally induced transitions for which rate coefficients are already known: the network is trained on a subset of that data set and tested on the remainder. Results obtained by this method are typically accurate to within a factor of approx2.1 (median value) for transitions with low excitation rates and approx1.7 for those with medium or high excitation rates, although 4% of the ANN outputs are discrepant by a factor of 10 or more. The results suggest that ANNs will be valuable in extrapolating a data set of collisional rate coefficients to include high-lying transitions that have not yet been calculated. For the asymmetric top molecules considered in this paper, the favored architecture is a cascade-correlation network that creates 16 hidden neurons during the course of training, with three input neurons to characterize the nature of the transition and one output neuron to provide the logarithm of the rate coefficient.

  13. Easy Absolute Values? Absolutely

    ERIC Educational Resources Information Center

    Taylor, Sharon E.; Mittag, Kathleen Cage

    2015-01-01

    The authors teach a problem-solving course for preservice middle-grades education majors that includes concepts dealing with absolute-value computations, equations, and inequalities. Many of these students like mathematics and plan to teach it, so they are adept at symbolic manipulations. Getting them to think differently about a concept that they…

  14. Effective Dose Rate Coefficients for Immersions in Radioactive Air and Water.

    PubMed

    Bellamy, M B; Veinot, K G; Hiller, M M; Dewji, S A; Eckerman, K F; Easterly, C E; Hertel, N E; Leggett, R W

    2016-05-05

    The Oak Ridge National Laboratory Center for Radiation Protection Knowledge (CRPK) has undertaken a number of calculations in support of a revision to the United States Environmental Protection Agency (US EPA) Federal Guidance Report on external exposure to radionuclides in air, water and soil (FGR 12). Age-specific mathematical phantom calculations were performed for the conditions of submersion in radioactive air and immersion in water. Dose rate coefficients were calculated for discrete photon and electron energies and folded with emissions from 1252 radionuclides using ICRP Publication 107 decay data to determine equivalent and effective dose rate coefficients. The coefficients calculated in this work compare favorably to those reported in FGR12 as well as by other authors that employed voxel phantoms for similar exposure scenarios.

  15. Global rate coefficients for ionization and recombination of carbon, nitrogen, oxygen, and argon

    NASA Astrophysics Data System (ADS)

    Annaloro, Julien; Morel, Vincent; Bultel, Arnaud; Omaly, Pierre

    2012-07-01

    The flow field modeling of planetary entry plasmas, laser-induced plasmas, inductively coupled plasmas, arcjets, etc., requires to use Navier-Stokes codes. The kinetic mechanisms implemented in these codes involve global (effective) rate coefficients. These rate coefficients result from the excited states coupling during a quasi-steady state. In order to obtain these global rate coefficients over a wide electron temperature (Te) range for ionization and recombination of carbon, nitrogen, oxygen, and argon, the behavior of their excited states is investigated using a zero-dimensional (time-dependent) code. The population number densities of these electronic states are considered as independent species. Their relaxation is studied within the range 3000 K ≤Te≤20 000 K and leads to the determination of the ionization (ki) and recombination (kr) global rate coefficients. Comparisons with existing data are performed. Finally, the ratio ki/kr is compared with the Saha equilibrium constant. This ratio increases more rapidly than the equilibrium constant for Te>15 000 K.

  16. Electron attachment to anthracene. A FALP measurement of the rate coefficient at room temperature

    NASA Astrophysics Data System (ADS)

    Canosa, A.; Parent, D. C.; Pasquerault, D.; Au; Gomet, J. C.; Laubé, S.; Rowe, B. R.

    1994-09-01

    The rate coefficient β for electron attachment to anthracene has been measured at room temperature using a flowing afterglow Langmuir probe mass spectrometer. A value of 1 × 10 -9 cm 3 s -1 (30% uncertainty) was found, indicating that an activation energy barrier might exist.

  17. Global rate coefficients for ionization and recombination of carbon, nitrogen, oxygen, and argon

    SciTech Connect

    Annaloro, Julien; Morel, Vincent; Bultel, Arnaud; Omaly, Pierre

    2012-07-15

    The flow field modeling of planetary entry plasmas, laser-induced plasmas, inductively coupled plasmas, arcjets, etc., requires to use Navier-Stokes codes. The kinetic mechanisms implemented in these codes involve global (effective) rate coefficients. These rate coefficients result from the excited states coupling during a quasi-steady state. In order to obtain these global rate coefficients over a wide electron temperature (T{sub e}) range for ionization and recombination of carbon, nitrogen, oxygen, and argon, the behavior of their excited states is investigated using a zero-dimensional (time-dependent) code. The population number densities of these electronic states are considered as independent species. Their relaxation is studied within the range 3000 K{<=}T{sub e}{<=}20 000 K and leads to the determination of the ionization (k{sub i}) and recombination (k{sub r}) global rate coefficients. Comparisons with existing data are performed. Finally, the ratio k{sub i}/k{sub r} is compared with the Saha equilibrium constant. This ratio increases more rapidly than the equilibrium constant for T{sub e}>15 000 K.

  18. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications.

    PubMed

    Suleimanov, Yury V; Aoiz, F Javier; Guo, Hua

    2016-11-03

    This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques for calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.

  19. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications

    DOE PAGES

    Suleimanov, Yury V.; Aoiz, F. Javier; Guo, Hua

    2016-11-03

    This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques formore » calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.« less

  20. Pressure dependence of the absolute rate constant for the reaction OH + C2H2 from 228 to 413 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Payne, W. A.; Stief, L. J.; Borkowski, R. P.

    1980-01-01

    The pressure dependence of the absolute rate constant for the reaction of the hydroxyl radical with acetylene, important in both atmospheric and combustion chemistry, is determined for temperatures between 228 and 413 K. The flash photolysis-resonance fluorescence technique was employed at five temperatures over wide ranges of pressure and acetylene concentrations, with the OH produced by water photolysis and hydroxyl resonance fluorescent photons measured by multiscaling techniques. Results indicate that, except at the lowest temperature, the bimolecular rate constant for the reaction depends strongly on total pressure, with the pressure effect becoming more pronounced with increasing temperature. At limiting high pressures, the rate constant is found to be equal to 6.83 + or - 1.19 x 10 to the -12th exp (-646 + or - 47/T) cu cm/molecule per sec, where T is the temperature. Results thus demonstrate the importance of environmental conditions in theoretical studies of atmospheric and combustion product compositions

  1. Absolute rate parameters for the reaction of ground state atomic oxygen with carbonyl sulfide

    NASA Technical Reports Server (NTRS)

    Klemm, R. B.; Stief, L. J.

    1974-01-01

    The rate parameters for the reaction of O(3P) with carbonyl sulfide, O(3P) + OCS yields CO + SO, have been determined directly by monitoring O(3P) using the flash photolysis-resonance fluorescence technique. The value for reaction rate was measured over a temperature range of 263-502 K and the data were fitted to an Arrhenius expression with good linearity. A comparison of the present results with those from previous studies of this reaction is also presented.

  2. Noninvasive optical quantification of absolute blood flow, blood oxygenation, and oxygen consumption rate in exercising skeletal muscle

    PubMed Central

    Gurley, Katelyn; Shang, Yu

    2012-01-01

    Abstract. This study investigates a method using novel hybrid diffuse optical spectroscopies [near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS)] to obtain continuous, noninvasive measurement of absolute blood flow (BF), blood oxygenation, and oxygen consumption rate (V˙O2) in exercising skeletal muscle. Healthy subjects (n=9) performed a handgrip exercise to increase BF and V˙O2 in forearm flexor muscles, while a hybrid optical probe on the skin surface directly monitored oxy-, deoxy-, and total hemoglobin concentrations ([HbO2], [Hb], and THC), tissue oxygen saturation (StO2), relative BF (rBF), and relative oxygen consumption rate (rV˙O2). The rBF and rV˙O2 signals were calibrated with absolute baseline BF and V˙O2 obtained through venous and arterial occlusions, respectively. Known problems with muscle-fiber motion artifacts in optical measurements during exercise were mitigated using a novel gating algorithm that determined muscle contraction status based on control signals from a dynamometer. Results were consistent with previous findings in the literature. This study supports the application of NIRS/DCS technology to quantitatively evaluate hemodynamic and metabolic parameters in exercising skeletal muscle and holds promise for improving diagnosis and treatment evaluation for patients suffering from diseases affecting skeletal muscle and advancing fundamental understanding of muscle and exercise physiology. PMID:22894482

  3. Noninvasive optical quantification of absolute blood flow, blood oxygenation, and oxygen consumption rate in exercising skeletal muscle

    NASA Astrophysics Data System (ADS)

    Gurley, Katelyn; Shang, Yu; Yu, Guoqiang

    2012-07-01

    This study investigates a method using novel hybrid diffuse optical spectroscopies [near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS)] to obtain continuous, noninvasive measurement of absolute blood flow (BF), blood oxygenation, and oxygen consumption rate (\\Vdot O2) in exercising skeletal muscle. Healthy subjects (n=9) performed a handgrip exercise to increase BF and \\Vdot O2 in forearm flexor muscles, while a hybrid optical probe on the skin surface directly monitored oxy-, deoxy-, and total hemoglobin concentrations ([HbO2], [Hb], and THC), tissue oxygen saturation (StO2), relative BF (rBF), and relative oxygen consumption rate (r\\Vdot O2). The rBF and r\\Vdot O2 signals were calibrated with absolute baseline BF and \\Vdot O2 obtained through venous and arterial occlusions, respectively. Known problems with muscle-fiber motion artifacts in optical measurements during exercise were mitigated using a novel gating algorithm that determined muscle contraction status based on control signals from a dynamometer. Results were consistent with previous findings in the literature. This study supports the application of NIRS/DCS technology to quantitatively evaluate hemodynamic and metabolic parameters in exercising skeletal muscle and holds promise for improving diagnosis and treatment evaluation for patients suffering from diseases affecting skeletal muscle and advancing fundamental understanding of muscle and exercise physiology.

  4. Absolute depth-dose-rate measurements for an 192Ir HDR brachytherapy source in water using MOSFET detectors.

    PubMed

    Zilio, Valéry Olivier; Joneja, Om Parkash; Popowski, Youri; Rosenfeld, Anatoly; Chawla, Rakesh

    2006-06-01

    Reported MOSFET measurements concern mostly external radiotherapy and in vivo dosimetry. In this paper, we apply the technique for absolute dosimetry in the context of HDR brachytherapy using an 192Ir source. Measured radial dose rate distributions in water for different planes perpendicular to the source axis are presented and special attention is paid to the calibration of the R and K type detectors, and to the determination of appropriate correction factors for the sensitivity variation with the increase of the threshold voltage and the energy dependence. The experimental results are compared with Monte Carlo simulated dose rate distributions. The experimental results show a good agreement with the Monte Carlo simulations: the discrepancy between experimental and Monte Carlo results being within 5% for 82% of the points and within 10% for 95% of the points. Moreover, all points except two are found to lie within the experimental uncertainties, confirming thereby the quality of the results obtained.

  5. Absolute rate constants for the reaction of atomic hydrogen with ketene from 298 to 500 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Payne, W. A.; Stief, L. J.

    1979-01-01

    Rate constants for the reaction of atomic hydrogen with ketene have been measured at room temperature by two techniques, flash photolysis-resonance fluorescence and discharge flow-resonance fluorescence. The measured values are (6.19 + or - 1.68) x 10 to the -14th and (7.3 + or - 1.3) x 10 to the -14th cu cm/molecule/s, respectively. In addition, rate constants as a function of temperature have been measured over the range 298-500 K using the FP-RF technique. The results are best represented by the Arrhenius expression k = (1.88 + or - 1.12) x 10 to the -11th exp(-1725 + or - 190/T) cu cm/molecule/s, where the indicated errors are at the two standard deviation level.

  6. Absolute rate of the reaction of bromine atoms with ozone from 200 to 360 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Lee, J. H.; Payne, W. A.; Stief, L. J.

    1978-01-01

    The rate constant for the reaction Br + O3 yields BrO + O2 has been measured from 200 to 360 K by the technique of flash photolysis coupled to time resolved detection of bromine atoms by resonance fluorescence (FP-RF). Br atoms were produced by the flash photolysis of CH3Br at a wavelength of 165 nm. O3 concentration was monitored continuously under reaction conditions by absorption at 253.7 nm. At each of five temperatures the results were independent of substantial variations in O3 concentration, total pressure (Ar), and limited variations in flash intensity (i.e., initial Br concentration). The measured rate constants obey the Arrhenius expression, k = (7.74 plus or minus 0.50) x 10 to the -12th exp(-603 plus or minus 16/T) cu cm/molecule/sec, where the error quoted is two standard deviations.

  7. Absolute rate constant for the O plus NO chemiluminescence in the near infrared

    NASA Technical Reports Server (NTRS)

    Golde, M. F.; Roche, A. E.; Kaufman, F.

    1973-01-01

    Infrared chemiluminescence from the process O + NO (+M) NO2 + hv (+M) has been studied between 1.3 and 4.1 micrometer. The wavelength dependence of the continuum between 1.3 and 3.3 micrometer is in fair agreement with previous studies and the measured radiative rate constant at 1.51 micrometer establishes the NO-O glow in this spectral range as a secondary emission standard. Comparison with previous studies of the visible region of the glow implies that the overall radiative rate constant lies in the range (9.4 to 11.2) x 10 to the minus 17 power cu cm sec/1. In the region 3.3 to 4.1 micrometer, the previously observed broad band, peaking at 3.7 micrometer, shows a complex kinetic dependence on O and M.

  8. Transitions in genetic toggle switches driven by dynamic disorder in rate coefficients

    NASA Astrophysics Data System (ADS)

    Chen, Hang; Thill, Peter; Cao, Jianshu

    2016-05-01

    In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes with the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.

  9. Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide.

    PubMed

    Smith, Mica C; Chao, Wen; Kumar, Manoj; Francisco, Joseph S; Takahashi, Kaito; Lin, Jim Jr-Min

    2017-02-09

    The reaction of the simplest Criegee intermediate CH2OO with hydrogen sulfide was measured with transient UV absorption spectroscopy in a temperature-controlled flow reactor, and bimolecular rate coefficients were obtained from 278 to 318 K and from 100 to 500 Torr. The average rate coefficient at 298 K and 100 Torr was (1.7 ± 0.2) × 10(-13) cm(3) s(-1). The reaction was found to be independent of pressure and exhibited a weak negative temperature dependence. Ab initio quantum chemistry calculations of the temperature-dependent reaction rate coefficient at the QCISD(T)/CBS level are in reasonable agreement with the experiment. The reaction of CH2OO with H2S is 2-3 orders of magnitude faster than the reaction with H2O monomer. Though rates of CH2OO scavenging by water vapor under atmospheric conditions are primarily controlled by the reaction with water dimer, the H2S loss pathway will be dominated by the reaction with monomer. The agreement between experiment and theory for the CH2OO + H2S reaction lends credence to theoretical descriptions of other Criegee intermediate reactions that cannot easily be probed experimentally.

  10. Absolute rate constants of alkoxyl radical reactions in aqueous solution. [Tert-butyl hydroperoxide

    SciTech Connect

    Erben-Russ, M.; Michel, C.; Bors, W.; Saran, M.

    1987-04-23

    The pulse radiolysis technique was used to generate the alkoxyl radical derived from tert-butyl hydroperoxide (/sup t/BuOOH) in aqueous solution. The reactions of this radical with 2,2'-azinobis(3-ethyl-6-benzothiazolinesulfonate) (ABTS) and promethazine were monitored by kinetic spectroscopy. The unimolecular decay rate constant of the tert-butoxyl radical (/sup t/BuO) was determined to be 1.4 x 10/sup 6/ s/sup -1/. On the basis of this value, the rate constants for /sup t/BuO attack on quercetin, crocin, crocetin, ascorbate, isoascorbate, trolox c, glutathione, thymidine, adenosine, guanosine, and unsaturated fatty acids were determined. In addition, the reaction of /sup t/BuO with the polyunsaturated fatty acids (PUFA) was observed by directly monitoring the formation of the fatty acid pentadienyl radicals. Interestingly, the attack of /sup t/BuO on PUFA was found to be faster by about one order of magnitude as compared to the same reaction in a nonpolar solvent.

  11. Friction coefficients and wear rates of different orthodontic archwires in artificial saliva.

    PubMed

    Alfonso, M V; Espinar, E; Llamas, J M; Rupérez, E; Manero, J M; Barrera, J M; Solano, E; Gil, F J

    2013-05-01

    The aim of this paper is to analyze the influence of the nature of the orthodontic archwires on the friction coefficient and wear rate against materials used commonly as brackets (Ti-6Al-4V and 316L Stainless Steel). The materials selected as orthodontic archwires were ASI304 stainless steel, NiTi, Ti, TiMo and NiTiCu. The array archwire's materials selected presented very similar roughness but different hardness. Materials were chosen from lower and higher hardness degrees than that of the brackets. Wear tests were carried out at in artificial saliva at 37 °C. Results show a linear relationship between the hardness of the materials and the friction coefficients. The material that showed lower wear rate was the ASI304 stainless steel. To prevent wear, the wire and the brackets have high hardness values and in the same order of magnitude.

  12. The calculation of the thermal rate coefficient by a method combining classical and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Wahnström, Göran; Carmeli, Benny; Metiu, Horia

    1988-02-01

    We propose and test a method for computing flux-flux correlation functions (and thermal rate coefficients) which divides the degrees of freedom in two groups, one treated classically and the other quantum mechanically. The method is tested by applying it to a simple model for which we can also obtain exact results. The approximate method gives good results if the mass associated with the classical degrees of freedom exceeds 16 a.u.

  13. Factorization of the association rate coefficient in ligand rebinding to heme proteins

    NASA Astrophysics Data System (ADS)

    Young, Robert D.

    1984-01-01

    A stochastic theory of ligand migration in biomolecules is used to analyze the recombination of small ligands to heme proteins after flash photolysis. The stochastic theory is based on a generalized sequential barrier model in which a ligand binds by overcoming a series of barriers formed by the solvent protein interface, the protein matrix, and the heme distal histidine system. The stochastic theory shows that the association rate coefficient λon factorizes into three terms λon =γ12Nout, where γ12 is the rate coefficient from the heme pocket to the heme binding site, is the equilibrium pocket occupation factor, and Nout is the fraction of heme proteins which do not undergo geminate recombination of a flashed-off ligand. The factorization of λon holds for any number of barriers and with no assumptions regarding the various rate coefficients so long as the exponential solvent process occurs. Transitions of a single ligand are allowed between any two sites with two crucial exceptions: (i) the heme binding site acts as a trap so that thermal dissociation of a bound ligand does not occur within the time of the measurement; (ii) the final step in the rebinding process always has a ligand in the heme pocket from where the ligand binds to the heme iron.

  14. Laboratory Studies of Low Temperature Rate Coefficients: The Atmospheric Chemistry of the Outer Planets and Titan

    NASA Technical Reports Server (NTRS)

    Bogan, Denis

    1999-01-01

    Laboratory measurements have been carried out to determine low temperature chemical rate coefficients of ethynyl radical (C2H) for the atmospheres of the outer planets and their satellites. This effort is directly related to the Cassini mission which will explore Saturn and Titan. A laser-based photolysis/infrared laser probe setup was used to measure the temperature dependence of kinetic rate coefficients from approx. equal to 150 to 350 K for C2H radicals with H2, C2H2, CH4, CD4, C2H4, C2H6, C3H8, n-C4H10, i-C4H10, neo-C5H12, C3H4 (methylacetylene and allene), HCN, and CH3CN. The results revealed discrepancies of an order of magnitude or more compared with the low temperature rate coefficients used in present models. A new Laval nozzle, low Mach number supersonic expansion kinetics apparatus has been constructed, resulting in the first measurements of neutral C2H radical kinetics at 90 K and permitting studies on condensable gases with insufficient vapor pressure at low temperatures. New studies of C 2H with acetylene have been completed.

  15. Temperature and pressure dependence of the absolute rate constant for the reactions of NH2 radicals with acetylene and ethylene

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Nava, D. F.; Brobst, W. D.; Stief, L. J.

    1984-01-01

    The absolute rate constants for the reaction between the NH2 free radical and acetylene and ethylene is measured experimentally using a flash photolysis technique. The constant is considered to be a function of temperature and pressure. At each temperature level of the experiment, the observed pseudo-first-order rate constants were assumed to be independent of flash intensity. The results of the experiment indicate that the bimolecular rate constant for the NH2 + C2H2 reaction increases with pressure at 373 K and 459 K but not at lower temperatures. Results near the pressure limit conform to an Arrhenius expression of 1.11 (+ or -) 0.36 x 10 to the -13th over the temperature range from 241 to 459 K. For the reaction NH2 + C2H4, a smaller rate of increase in the bimolecular rate constant was observed over the temperature range 250-465 K. The implications of these results for current theoretical models of NH2 + C2H2 (or H4) reactions in the atmospheres of Jupiter and Saturn are discussed.

  16. The functional correlation between rainfall rate and extinction coefficient for frequencies from 3 to 10 GHz

    NASA Technical Reports Server (NTRS)

    Jameson, A. R.

    1990-01-01

    The relationship between the rainfall rate (R) obtained from radiometric brightness temperatures and the extinction coefficient (k sub e) is investigated by computing the values of k sub e over a wide range of rainfall rates, for frequencies from 3 to 25 GHz. The results show that the strength of the relation between the R and the k sub e values exhibits considerable variation for frequencies at this range. Practical suggestions are made concerning the selection of particular frequencies for rain measurements to minimize the error in R determinations.

  17. Derivation of the chemical-equilibrium rate coefficient using scattering theory

    NASA Technical Reports Server (NTRS)

    Mickens, R. E.

    1977-01-01

    Scattering theory is applied to derive the equilibrium rate coefficient for a general homogeneous chemical reaction involving ideal gases. The reaction rate is expressed in terms of the product of a number of normalized momentum distribution functions, the product of the number of molecules with a given internal energy state, and the spin-averaged T-matrix elements. An expression for momentum distribution at equilibrium for an arbitrary molecule is presented, and the number of molecules with a given internal-energy state is represented by an expression which includes the partition function.

  18. Absolute refractive indices and thermal coefficients of CaF2, SrF2, BaF2, and LiF near 157 nm.

    PubMed

    Burnett, John H; Gupta, Rajeev; Griesmann, Ulf

    2002-05-01

    We present high-accuracy measurements for wavelengths near 157 nm of the absolute index of refraction, the index dispersion, and the temperature dependence of the index for the ultraviolet optical materials with cubic symmetry: CaF2, SrF2, BaF2, and LiF. Accurate values of these quantities for these materials are needed for designs of the lens systems for F2 excimer-laser-based exposure tools for 157-nm photolithography. These tools are expected to use CaF2 as the primary optical material and possibly one of the others to correct for chromatic aberrations. These optical properties were measured by the minimum deviation method. Absolute refractive indices were obtained with an absolute accuracy of 5 x 10(-6) to 6 x 10(-6).

  19. Solid-state track recorder dosimetry device to measure absolute reaction rates and neutron fluence as a function of time

    DOEpatents

    Gold, Raymond; Roberts, James H.

    1989-01-01

    A solid state track recording type dosimeter is disclosed to measure the time dependence of the absolute fission rates of nuclides or neutron fluence over a period of time. In a primary species an inner recording drum is rotatably contained within an exterior housing drum that defines a series of collimating slit apertures overlying windows defined in the stationary drum through which radiation can enter. Film type solid state track recorders are positioned circumferentially about the surface of the internal recording drum to record such radiation or its secondary products during relative rotation of the two elements. In another species both the recording element and the aperture element assume the configuration of adjacent disks. Based on slit size of apertures and relative rotational velocity of the inner drum, radiation parameters within a test area may be measured as a function of time and spectra deduced therefrom.

  20. Electron-Ion Recombination Rate Coefficient Measurements in a Flowing Afterglow Plasma

    NASA Technical Reports Server (NTRS)

    Gougousi, Theodosia; Golde, Michael F.; Johnsen, Rainer

    1996-01-01

    The flowing-afterglow technique in conjunction with computer modeling of the flowing plasma has been used to determine accurate dissociative-recombination rate coefficients alpha for the ions O2(+), HCO(+), CH5(+), C2H5(+), H3O(+), CO2(+), HCO2(+), HN2O(+), and N2O(+) at 295 K. We find that the simple form of data analysis that was employed in earlier experiments was adequate and we largely confirm earlier results. In the case of HCO(+) ions, published coefficients range from 1.1 X 10(exp -7) to 2.8 x 10(exp -7) cu cm/S, while our measurements give a value of 1.9 x 10(exp -7) cu cm/S.

  1. Absolute measurement of cerebral optical coefficients, hemoglobin concentration and oxygen saturation in old and young adults with near-infrared spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We present near-infrared spectroscopy measurement of absolute cerebral hemoglobin concentration and saturation in a large sample of 36 healthy elderly (mean age, 85 ± 6 years) and 19 young adults (mean age, 28 ± 4 years). Non-invasive measurements were obtained on the forehead using a commercially a...

  2. A rare gas optics-free absolute photon flux and energy analyzer to provide absolute photoionization rates of inflowing interstellar neutrals

    NASA Technical Reports Server (NTRS)

    Judge, Darrell L.

    1994-01-01

    A prototype spectrometer has been developed for space applications requiring long term absolute EUV photon flux measurements. The energy spectrum of the incoming photons is transformed directly into an electron energy spectrum by taking advantage of the photoelectric effect in one of several rare gases at low pressures. Using an electron energy spectrometer, followed by an electron multiplier detector, pulses due to individual electrons are counted. The overall efficiency of this process can be made essentially independent of gain drifts in the signal path, and the secular degradation of optical components which is often a problem in other techniques is avoided. A very important feature of this approach is its freedom from the problem of overlapping spectral orders that plagues grating EUV spectrometers. An instrument with these features has not been flown before, but is essential to further advances in our understanding of solar EUV flux dynamics, and the coupled dynamics of terrestrial and planetary atmospheres. The detailed characteristics of this optics-free spectrometer are presented in the publications section.

  3. Pressure dependence of the absolute rate constant for the reaction OH + C2H2 from 228 to 413K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Borokowski, R. P.; Payne, W. A.; Stief, L. J.

    1980-01-01

    The pressure dependence of absolute rate constants for the reaction of OH + C2H2 yields products has been examined at five temperatures ranging from 228 to 413 K. The experimental techniques which was used is flash photolysis-resonance fluoresence. OH was produced by water photolysis and hydroxyl resonance fluorescent photons were measured by multiscaling techniques. The results indicate that the low pressure bimolecular rate constant is 4 x 10 the the minus 13th power cu cm molecule (-1) s(-1) over the temperature range studied. A substantial increase in the bimolecular rate constant with an increase in pressure was observed at all temperatures except 228 K. This indicates the importance of initial adduct formation and subsequent stablization. The high pressure results are well represented by the Arrhenius expression (k sub bi) sub infinity = (6.83 + or - 1.19) x 10 to the minus 12th power exp(-646 + or - 47/T)cu cm molecule (-1) s(-1). The results are compared to previous investigated and are theoretically discussed. The implications of these results on modeling of terrestrial and planetary atmospheres and also in combustion chemistry are discussed.

  4. The reaction H + C4H2 - Absolute rate constant measurement and implication for atmospheric modeling of Titan

    NASA Technical Reports Server (NTRS)

    Nava, D. F.; Mitchell, M. B.; Stief, L. J.

    1986-01-01

    The absolute rate constant for the reaction H + C4H2 has been measured over the temperature (T) interval 210-423 K, using the technique of flash photolysis-resonance fluorescence. At each of the five temperatures employed, the results were independent of variations in C4H2 concentration, total pressure of Ar or N2, and flash intensity (i.e., the initial H concentration). The rate constant, k, was found to be equal to 1.39 x 10 to the -10th exp (-1184/T) cu cm/s, with an error of one standard deviation. The Arrhenius parameters at the high pressure limit determined here for the H + C4H2 reaction are consistent with those for the corresponding reactions of H with C2H2 and C3H4. Implications of the kinetic carbon chemistry results, particularly those at low temperature, are considered for models of the atmospheric carbon chemistry of Titan. The rate of this reaction, relative to that of the analogous, but slower, reaction of H + C2H2, appears to make H + C4H2 a very feasible reaction pathway for effective conversion of H atoms to molecular hydrogen in the stratosphere of Titan.

  5. The reaction H + C4H2 - Absolute rate constant measurement and implication for atmospheric modeling of Titan

    NASA Astrophysics Data System (ADS)

    Nava, D. F.; Mitchell, M. B.; Stief, L. J.

    1986-04-01

    The absolute rate constant for the reaction H + C4H2 has been measured over the temperature (T) interval 210-423 K, using the technique of flash photolysis-resonance fluorescence. At each of the five temperatures employed, the results were independent of variations in C4H2 concentration, total pressure of Ar or N2, and flash intensity (i.e., the initial H concentration). The rate constant, k, was found to be equal to 1.39 x 10 to the -10th exp (-1184/T) cu cm/s, with an error of one standard deviation. The Arrhenius parameters at the high pressure limit determined here for the H + C4H2 reaction are consistent with those for the corresponding reactions of H with C2H2 and C3H4. Implications of the kinetic carbon chemistry results, particularly those at low temperature, are considered for models of the atmospheric carbon chemistry of Titan. The rate of this reaction, relative to that of the analogous, but slower, reaction of H + C2H2, appears to make H + C4H2 a very feasible reaction pathway for effective conversion of H atoms to molecular hydrogen in the stratosphere of Titan.

  6. Rate coefficients for the OH + CFH2CH2OH reaction between 238 and 355 K.

    PubMed

    Rajakumar, B; Burkholder, James B; Portmann, R W; Ravishankara, A R

    2005-06-21

    The rate coefficient for the reaction OH + CFH2CH2OH --> products (k1) between 238 and 355 K was measured using the pulsed laser photolysis-laser induced fluorescence (PLP-LIF) technique to be (5.15 +/- 0.88)x 10(-12) exp[-(330 +/- 45)/T] cm3 molecule(-1) s(-1); k1(298 K)= 1.70 x 10(-12) cm3 molecule(-1) s(-1). The quoted uncertainties are 2sigma(95% confidence level) and include estimated systematic errors. The present results are discussed in relation to the measured rate coefficients for the reaction of OH with other fluorinated alcohols and those calculated using recently reported structure additivity relationships for fluorinated compounds (K. Tokuhashi, H. Nagai, A. Takahashi, M. Kaise, S. Kondo, A. Sekiya, M. Takahashi, Y. Gotoh and A. Suga, J. Phys. Chem. A, 1999, 103, 2664-2672, ). Infrared absorption cross sections for CFH2CH2OH are reported and they are used to calculate the global warming potentials (GWP) for CFH2CH2OH of approximately 8, approximately 2, and approximately 1, respectively, for the 20, 100 and 500 year horizons. A brief discussion of the atmospheric degradation of CFH2CH2OH is provided. It is concluded that CFH2CH2OH is an acceptable substitute for CFCs in terms of its impact on Earth's climate and the composition of the atmosphere. The room temperature rate coefficient for the reaction OH + CFH2CH2OH --> products (k10) was measured to be 3.26 x 10(-12) cm3 molecule(-1) s(-1), in good agreement with recent measurements from this laboratory.

  7. Comparative analysis of animal growth: a primate continuum revealed by a new dimensionless growth rate coefficient.

    PubMed

    Vinicius, Lucio; Mumby, Hannah S

    2013-05-01

    The comparative analysis of animal growth still awaits full integration into life-history studies, partially due to the difficulty of defining a comparable measure of growth rate across species. Using growth data from 50 primate species, we introduce a modified "general growth model" and a dimensionless growth rate coefficient β that controls for size scaling and phylogenetic effects in the distribution of growth rates. Our results contradict the prevailing idea that slow growth characterizes primates as a group: the observed range of β values shows that not all primates grow slowly, with galago species exhibiting growth rates similar or above the mammalian average, while other strepsirrhines and most New World monkeys show limited reduction in growth rates. Low growth rate characterizes apes and some papionines. Phylogenetic regressions reveal associations between β and life-history variables, providing tests for theories of primate growth evolution. We also show that primate slow growth is an exclusively postnatal phenomenon. Our study exemplifies how the dimensionless approach promotes the integration of growth rate data into comparative life-history analysis, and demonstrates its potential applicability to other cases of adaptive diversification of animal growth patterns.

  8. The CH + CO reaction: Rate coefficient for carbon atom exchange at 294 K

    SciTech Connect

    Anderson, S.M.; McCurdy, K.E.; Kolb, C.E. )

    1989-02-09

    A fast-flow reactor equipped with isotope-specific laser-excited fluorescence detection of CH radicals has been used to study carbon atom exchange in the reaction between CH and CO at 294 K and 2 Torr of total pressure. The rate coefficient for exchange, k{sub 3} = (2.1 {times} 0.3) {times} 10{sup {minus}12} cm{sup 3} s{sup {minus}1}, is about an order of magnitude larger than the bimolecular rate for the addition reaction, k{sub 2} = (2.7 {plus minus} 0.4) {times} 10{sup {minus}13}. High-pressure limiting bimolecular and low-pressure termolecular recombination rate coefficients of 1.1 {times} 10{sup {minus}10} cm{sup 3} s{sup {minus}1} and 4.9 {times} 10{sup {minus}30} cm{sup 6} s{sup {minus}1} are derived. The results are discussed in the context of previous work on the title reaction and on the chemistry of singlet CH{sub 2}.

  9. Parameterization of the level-resolved radiative recombination rate coefficients for the SPEX code

    NASA Astrophysics Data System (ADS)

    Mao, Junjie; Kaastra, Jelle

    2016-03-01

    The level-resolved radiative recombination (RR) rate coefficients for H-like to Na-like ions from H (Z = 1) up to and including Zn (Z = 30) are studied here. For H-like ions, the quantum-mechanical exact photoionization cross sections for nonrelativistic hydrogenic systems are usedto calculate the RR rate coefficients under the principle of detailed balance, while for He-like to Na-like ions, the archival data on ADAS are adopted. Parameterizations are made for the direct capture rates in a wide temperature range. The fitting accuracies are better than 5% for about 99% of the ~3 × 104 levels considered here. The ~1% exceptions include levels from low-charged many-electron ions, and/or high-shell (n ≳ 4) levels are less important in terms of interpreting X-ray emitting astrophysical plasmas. The RR data will be incorporated into the high-resolution spectral analysis package SPEX. Results of the parameterizations are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/587/A84

  10. Laboratory studies of low temperature rate coefficients: The atmospheric chemistry of the outer planets

    NASA Technical Reports Server (NTRS)

    Leone, Stephen R.

    1992-01-01

    The purpose of the project is to perform laboratory measurements of reaction rate coefficients at low temperature. The reactions and temperatures of interest are those that are important in the chemistry of the hydrocarbon rich atmospheres of the outer planets and their satellites. In this stage of the study we are investigating reactions of ethynyl radicals, C2H, with acetylene (C2H2), methane (CH4), and hydrogen (H2). In the previous status report from 24 Jan. 1992, we reported on the development of the experimental apparatus and the first, preliminary data for the C2H + C2H2 reaction.

  11. Estimating Reaction Rate Coefficients Within a Travel-Time Modeling Framework

    SciTech Connect

    Gong, R; Lu, C; Luo, Jian; Wu, Wei-min; Cheng, H.; Criddle, Craig; Kitanidis, Peter K.; Gu, Baohua; Watson, David B; Jardine, Philip M; Brooks, Scott C

    2011-03-01

    A generalized, efficient, and practical approach based on the travel-time modeling framework is developed to estimate in situ reaction rate coefficients for groundwater remediation in heterogeneous aquifers. The required information for this approach can be obtained by conducting tracer tests with injection of a mixture of conservative and reactive tracers and measurements of both breakthrough curves (BTCs). The conservative BTC is used to infer the travel-time distribution from the injection point to the observation point. For advection-dominant reactive transport with well-mixed reactive species and a constant travel-time distribution, the reactive BTC is obtained by integrating the solutions to advective-reactive transport over the entire travel-time distribution, and then is used in optimization to determine the in situ reaction rate coefficients. By directly working on the conservative and reactive BTCs, this approach avoids costly aquifer characterization and improves the estimation for transport in heterogeneous aquifers which may not be sufficiently described by traditional mechanistic transport models with constant transport parameters. Simplified schemes are proposed for reactive transport with zero-, first-, nth-order, and Michaelis-Menten reactions. The proposed approach is validated by a reactive transport case in a two-dimensional synthetic heterogeneous aquifer and a field-scale bioremediation experiment conducted at Oak Ridge, Tennessee. The field application indicates that ethanol degradation for U(VI)-bioremediation is better approximated by zero-order reaction kinetics than first-order reaction kinetics.

  12. Laboratory studies of low temperature rate coefficients: The atmospheric chemistry of the outer planets

    NASA Technical Reports Server (NTRS)

    Leone, Stephen R.

    1995-01-01

    The objectives of the research are to measure low temperature laboratory rate coefficients for key reactions relevant to the atmospheres of Titan and Saturn. These reactions are, for example, C2H + H2, CH4, C2H2, and other hydrocarbons which need to be measured at low temperatures, down to approximately 150 K. The results of this work are provided to NASA specialists who study modeling of the hydrocarbon chemistry of the outer planets. The apparatus for this work consists of a pulsed laser photolysis system and a tunable F-center probe laser to monitor the disappearance of C2H. A low temperature cell with a cryogenic circulating fluid in the outer jacket provides the gas handling system for this work. These elements have been described in detail in previous reports. Several new results are completed and the publications are just being prepared. The reaction of C2H with C2H2 has been measured with an improved apparatus down to 154 K. An Arrhenius plot indicates a clear increase in the rate coefficient at the lowest temperatures, most likely because of the long-lived (C4H3) intermediate. The capability to achieve the lowest temperatures in this work was made possible by construction of a new cell and addition of a multipass arrangement for the probe laser, as well as improvements to the laser system.

  13. Estimating reaction rate coefficients within a travel-time modeling framework.

    PubMed

    Gong, R; Lu, C; Wu, W-M; Cheng, H; Gu, B; Watson, D; Jardine, P M; Brooks, S C; Criddle, C S; Kitanidis, P K; Luo, J

    2011-01-01

    A generalized, efficient, and practical approach based on the travel-time modeling framework is developed to estimate in situ reaction rate coefficients for groundwater remediation in heterogeneous aquifers. The required information for this approach can be obtained by conducting tracer tests with injection of a mixture of conservative and reactive tracers and measurements of both breakthrough curves (BTCs). The conservative BTC is used to infer the travel-time distribution from the injection point to the observation point. For advection-dominant reactive transport with well-mixed reactive species and a constant travel-time distribution, the reactive BTC is obtained by integrating the solutions to advective-reactive transport over the entire travel-time distribution, and then is used in optimization to determine the in situ reaction rate coefficients. By directly working on the conservative and reactive BTCs, this approach avoids costly aquifer characterization and improves the estimation for transport in heterogeneous aquifers which may not be sufficiently described by traditional mechanistic transport models with constant transport parameters. Simplified schemes are proposed for reactive transport with zero-, first-, nth-order, and Michaelis-Menten reactions. The proposed approach is validated by a reactive transport case in a two-dimensional synthetic heterogeneous aquifer and a field-scale bioremediation experiment conducted at Oak Ridge, Tennessee. The field application indicates that ethanol degradation for U(VI)-bioremediation is better approximated by zero-order reaction kinetics than first-order reaction kinetics.

  14. Behavior of rate coefficients for ion-ion mutual neutralization, 300-550 K

    SciTech Connect

    Miller, Thomas M.; Shuman, Nicholas S.; Viggiano, A. A.

    2012-05-28

    Rate coefficients k{sub MN} have been measured for a number of anion neutralization reactions with Ar{sup +} and Kr{sup +} over the temperature range 300-550 K. For the first time, the data set includes anions of radicals and other short-lived species. In the present paper, we review these results and make note of correlations with reduced mass, electron binding energy of the anion (equivalent to the electron affinity of the corresponding neutral), and temperature, and compare with expectations from absorbing sphere models. An intriguing result is that the data for diatomic anions neutralized by Ar{sup +} and Kr{sup +} have k{sub MN} values close to 3 x 10{sup -8} cm{sup 3} s{sup -1} at 300 K, a figure which is lower than those for all of the polyatomic anions at 300 K except for SF{sub 5}{sup -}+ Kr{sup +}. For the polyatomic anions studied here, neutralized by Ar{sup +} and Kr{sup +}, the reduced mass dependence agrees with theory, on average, but we find a stronger temperature dependence of T{sup -0.9} than expected from the theoretical E{sup -0.5} energy dependence of the rate coefficient at thermal energies. The k{sub MN} show a weak dependence on the electron binding energy of the anion for the polyatomic species studied.

  15. On the temperature dependence of the rate coefficient of formation of C2+ from C + CH+

    NASA Astrophysics Data System (ADS)

    Rampino, S.; Pastore, M.; Garcia, E.; Pacifici, L.; Laganà, A.

    2016-08-01

    We carry out quasi-classical trajectory calculations for the C + CH+→ C_2^+ + H reaction on an ad hoc computed high-level ab initio potential energy surface. Thermal rate coefficients at the temperatures of relevance in cold interstellar clouds are derived and compared with the assumed, temperature-independent estimates publicly available in kinetic data bases KIDA and UDfA. For a temperature of 10 K the data base value overestimates by a factor of 2 the one obtained by us (thus improperly enhancing the destruction route of CH+ in astrochemical kinetic models) which is seen to double in the temperature range 5-300 K with a sharp increase in the first 50 K. The computed values are fitted via the popular Arrhenius-Kooij formula and best-fitting parameters α = 1.32 × 10-9 cm3 s-1, β = 0.1 and γ = 2.19 K to be included in the online mentioned data bases are provided. Further investigation shows that the temperature dependence of the thermal rate coefficient better conforms to the recently proposed so-called `deformed Arrhenius' law by Aquilanti and Mundim.

  16. Sandwich mixer-reactor: influence of the diffusion coefficient and flow rate ratios.

    PubMed

    Abonnenc, Mélanie; Josserand, Jacques; Girault, Hubert H

    2009-02-07

    A sandwich mixer consists of mixing two solutions in a channel, one central laminar flow being sandwiched between two outer flow solutions. The present numerical study considers the convection-diffusion of two reacting species A and B, provided respectively by the two incoming solutions. The simulations show how the diffusion coefficient, flow rate and species concentration ratios influence, via the transversal diffusion length and reaction kinetics, the reaction extent at the end of the sandwich mixer. First, this extent can be enhanced up to 60% if the species with the lowest diffusion coefficient is located in the outer solutions where the flow velocity is small compared to that of the central part (higher residence time). Secondly, decreasing the outer flow rates (to confine the reaction close to the walls) and increasing the local concentration to keep the same flux ratio improve the extent by 300%. Comparison with a bi-lamination passive mixer, with an ideal mixer and an electro-osmotic driven flow mixer is presented. These conclusions are also demonstrated for consecutive reactions, showing an amplification of the effects described above. The results are also presented versus the residence time in the mixer-reactor to show the time window for which the gain is appreciable.

  17. Atmospheric degradation of saturated alcohols: Room temperature rate coefficients for NO3 radical reactions

    NASA Astrophysics Data System (ADS)

    Moreno, Alberto; Salgado, Sagrario; Taccone, Raul; Martín, Pilar; Cabañas, Beatriz

    2014-10-01

    Rate coefficients for the reactions of NO3 radicals with a series of saturated alcohols are reported here using the relative rate technique. Experiments were performed using air as bath gas in a 50 L glass-pyrex reaction chamber at room temperature (298 ± 2) K with long-path FTIR spectroscopy used to monitor the reaction at atmospheric pressure (708 ± 8) Torr. The reference compounds used and their rate coefficients are: propanal kNO3 = (6.0 ± 0.6) × 10-15, methyl methacrylate kNO3 = (3.55 ± 0.62) × 10-15, acetaldehyde kNO3 = (2.62 ± 0.29) × 10-15 and propene kNO3 = (9.50 ± 1.9) × 10-15, in cm3 molecule-1 s-1. Rate coefficients obtained were (in units cm3 molecule-1 s-1): (1.87 ± 0.14) × 10-15, (2.39 ± 0.20) × 10-15, (2.28 ± 0.17) × 10-15, (1.80 ± 0.13) × 10-15 and (3.52 ± 0.19) × 10-15 for 1-butanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 3,3-dimethyl-1-butanol and 3,3-dimethyl-2-butanol respectively. Reactivity trend can be explained in terms of the different types of hydrogen inside the hydrocarbon chain. The reaction occurs by an initial H-atom abstraction mainly from C-H groups of the alcohols by the NO3 radical being NO3 more reactive towards an H atom attached to a tertiary carbon than that attached to a secondary or primary carbon. Reactivity trend is compared with their similar structural 2-butanol and with the corresponding alkanes. Atmospheric implications are also discussed calculating lifetimes of the saturated alcohols studied here due to the reaction with NO3 radicals in comparison to their reactions with the other major atmospheric oxidants.

  18. Determining discharge-coefficient ratings for selected coastal control structures in Broward and Palm Beach counties, Florida

    USGS Publications Warehouse

    Tillis, G.M.; Swain, E.D.

    1998-01-01

    Discharges through 10 selected coastal control structures in Broward and Palm Beach Counties, Florida, are presently computed using the theoretical discharge-coefficient ratings developed from scale modeling, theoretical discharge coefficients, and some field calibrations whose accuracies for specific sites are unknown. To achieve more accurate discharge-coefficient ratings for the coastal control structures, field discharge measurements were taken with an Acoustic Doppler Current Profiler at the coastal control structures under a variety of flow conditions. These measurements were used to determine computed discharge-coefficient ratings for the coastal control structures under different flow regimes: submerged orifice flow, submerged weir flow, free orifice flow, and free weir flow. Theoretical and computed discharge-coefficient ratings for submerged orifice and weir flows were determined at seven coastal control structures, and discharge ratings for free orifice and weir flows were determined at three coastal control structures. The difference between the theoretical and computed discharge-coefficient ratings varied from structure to structure. The theoretical and computed dischargecoefficient ratings for submerged orifice flow were within 10 percent at four of seven coastal control structures; however, differences greater than 20 percent were found at two of the seven structures. The theoretical and computed discharge-coefficient ratings for submerged weir flow were within 10 percent at three of seven coastal control structures; however, differences greater than 20 percent were found at four of the seven coastal control structures. The difference between theoretical and computed discharge-coefficient ratings for free orifice and free weir flows ranged from 5 to 32 percent. Some differences between the theoretical and computed discharge-coefficient ratings could be better defined with more data collected over a greater distribution of measuring conditions.

  19. Characterization of the reaction rate coefficient of DNA with the hydroxyl radical

    SciTech Connect

    Milligan, J.R.; Ward, J.F.; Aguilera, J.A.

    1996-11-01

    Using agarose gel electrophoresis, we have measured the yield of single-strand breaks (SSBs) induced by {sup 137}Cs {gamma} irradiation in a variety of plasmid DNA substrates ranging in size from 2.7 kb to 38 kb irradiated in aerobic aqueous solution in the presence of the hydroxyl radical scavenger dimethyl sulfoxide (DMSO). Under these conditions DNA SSBs are caused mainly by the hydroxyl radical. Using the competition between DMSO and DNA for the hydroxyl radical, we have estimated the rate coefficient for the reaction of the hydroxyl radical with DNA. The results cannot be characterized by conventional steady-state competition kinetics. However, it is possible to describe the second-order rate constant for the reaction as a function of the scavenging capacity of the solution. The second-order rate constant increases with increasing scavenging capacity, rising from about 5x10{sup 8} dm{sup 3} mol{sup -1} s{sup -1} at 10{sup 5} s{sup -1} to about 10{sup 10} dm{sup 3} mol{sup -1} s{sup -1} at 10{sup 10} s{sup -1}. This dependence of the second-order rate constant on the scavenging capacity appears to be more pronounced for larger plasmids. 17 refs., 4 figs.

  20. Temperature dependence of the rate coefficient for the alpha-pinene reaction with ozone in the range between 243 K and 303 K.

    PubMed

    Tillmann, Ralf; Saathoff, Harald; Brauers, Theo; Kiendler-Scharr, Astrid; Mentel, Thomas F

    2009-04-07

    The absolute rate coefficient for the reaction of alpha-pinene with ozone was determined in the temperature range between 243 K and 303 K at atmospheric pressure. In total, 30 experiments were performed in the large (85 m3) temperature-controlled simulation chamber AIDA, where the concentrations of the reactants ozone and alpha-pinene were measured directly. An Arrhenius expression for the alpha-pinene + ozone reaction was derived with a pre-exponential factor of (1.4 +/- 0.4) x 10(-15) cm3 s(-1) and a temperature coefficient of (833 +/- 86) K. This rate coefficient is in good agreement (-5%) with the current IUPAC (IUPAC 2007) recommendation at 298 K. The IUPAC recommendation is significantly larger (+27%), around 243 K where the recommended values were extrapolated from higher temperatures. This finding is relevant for tropical regions where strong updrafts can rapidly transport reactive hydrocarbons like alpha-pinene from the boundary layer into the cold regions of the free troposphere.

  1. Absolute Rovibrational Intensities, Self-Broadening and Self-Shift Coefficients for the X(sup 1) Sigma(+) V=3 (left arrow) V=0 Band (C-12)(O-16)

    NASA Technical Reports Server (NTRS)

    Chackerian, Charles, Jr.; Freedman, R.; Giver, L. P.; Brown, L. R.

    2001-01-01

    The rotationless transition moment squared for the x(sup 1) sigma (sup +) v=3 (left arrow) v=0 band of CO is measured to be the absolute value of R (sub 3-0) squared = 1.7127(25)x 10(exp -7) Debye squared. This value is about 8.6 percent smaller than the value assumed for HITRAN 2000. The Herman-Wallis intensity factor of this band is F=1+0.01168(11)m+0.0001065(79)m squared. The determination of self-broadening coefficients is improved with the inclusion of line narrowing; self-shifts are also reported.

  2. Temperature dependence of collisional rate coefficients for rotational transitions: a-type asymmetric top molecules

    NASA Astrophysics Data System (ADS)

    Sharma, M. K.; Sharma, M.; Chandra, S.

    2017-04-01

    On realizing that the rate coefficients for rotational transitions in the H2CS, H2CO, H2CC, H2CSi, due to collisions with He atom, under the IOS approximation, increase with the increase of kinetic temperature, we have looked analytically for 9 transitions in a-type asymmetric top molecules, because the results of Green et al. (1978) for H2CO do not increase for all the transitions, though they also are calculated under the IOS approximation. We tried to understand the source of discrepancy, but could not succeed, as the details of the work of Green et al. (1978) are not available. Data for other three molecules (H2CS, H2CC, H2CSi) are not available in the literature. Since our investigation is analytical, there is no reason not to believe our results.

  3. Determination of 2p Excitation Transfer Rate Coefficient in Neon Gas Discharges

    NASA Astrophysics Data System (ADS)

    Smith, D. J.; Stewart, R. S.

    2001-10-01

    We will discuss our theoretical modelling and application of an array of four complementary optical diagnostic techniques for low-temperature plasmas. These are cw laser collisionally-induced fluorescence (LCIF), cw optogalvanic effect (OGE), optical emission spectroscopy (OES) and optical absorption spectroscopy (OAS). We will briefly present an overview of our investigation of neon positive column plasmas for reduced axial electric fields ranging from 3x10-17 Vcm2 to 2x10-16 Vcm2 (3-20 Td), detailing our determination of five sets of important collisional rate coefficients involving the fifteen lowest levels, the 1S0 ground state and the 1s and 2p excited states (in Paschen notation), hence information on several energy regions of the electron distribution function (EDF). The discussion will be extended to show the new results obtained from analysis of the argon positive column over similar reduced fields. Future work includes application of our multi-diagnostic technique to more complex systems, including the addition of molecules for EDF determination. array of four complementary optical diagnostic techniques OGE LCIF determination of five sets of important collisional rate coefficients

  4. Rate coefficients for dissociative attachment and resonant electron-impact dissociation involving vibrationally excited O{sub 2} molecules

    SciTech Connect

    Laporta, V.; Celiberto, R.; Tennyson, J.

    2014-12-09

    Rate coefficients for dissociative electron attachment and electron-impact dissociation processes, involving vibrationally excited molecular oxygen, are presented. Analytical fits of the calculated numerical data, useful in the applications, are also provided.

  5. Absolute rate determinations and temperature dependences of the gas-phase reactions of O( 3P) with halogenated propenes

    NASA Astrophysics Data System (ADS)

    Cometto, Pablo M.; Teruel, Mariano A.; Taccone, Raúl A.; Lane, Silvia I.

    2006-01-01

    The rate constants for the gas-phase reactions of ground state oxygen atoms with CF 3CH dbnd CH 2 (1), CF 3CF dbnd CF 2 (2) and CF 3CCl dbnd CCl 2 (3) have been measured directly using a discharge flow tube employing the O( 3P) chemiluminescence titration method. The experiments were carried out under pseudo-first-order conditions with [O( 3P)] 0 ≪ [propene] 0. The temperature dependences of the reactions were studied for the first time in the range 298-363 K. The Arrhenius expressions obtained (in units of cm 3 molecule -1 s -1) were: k1 = (0.28 ± 0.09) × 10 -11 exp[-(10.4 ± 0.9) × 10 3/ RT], k2 = (1.57 ± 0.72) × 10 -11 exp[-(15.6 ± 1.3) × 10 3/ RT], k3 = (2.23 ± 1.27) × 10 -11 exp[-(16.0 ± 1.6) × 10 3/ RT]. All the rate coefficients display a positive temperature dependence which points to the importance of the irreversibility of the addition mechanism for these reactions. Halogen substitution in the alkenes is discussed in terms of reactivity with O( 3P) and its relation with the ionization potential.

  6. Comparison of Monoenergetic Photon Organ Dose Rate Coefficients for the Female Stylized and Voxel Phantoms Submerged in Air

    DOE PAGES

    Hiller, Mauritius; Dewji, Shaheen Azim

    2017-02-16

    Dose rate coefficients computed using the International Commission on Radiological Protection (ICRP) reference adult female voxel phantom were compared with values computed using the Oak Ridge National Laboratory (ORNL) adult female stylized phantom in an air submersion exposure geometry. This is a continuation of previous work comparing monoenergetic organ dose rate coefficients for the male adult phantoms. With both the male and female data computed, effective dose rate as defined by ICRP Publication 103 was compared for both phantoms. Organ dose rate coefficients for the female phantom and ratios of organ dose rates for the voxel and stylized phantoms aremore » provided in the energy range from 30 to 5 MeV. Analysis of the contribution of the organs to effective dose is also provided. Lastly, comparison of effective dose rates between the voxel and stylized phantoms was within 8% at 100 keV and is <5% between 200 and 5000 keV.« less

  7. OH{sup +} in astrophysical media: state-to-state formation rates, Einstein coefficients and inelastic collision rates with He

    SciTech Connect

    Gómez-Carrasco, Susana; Godard, Benjamin; Lique, François; Bulut, Niyazi; Kłos, Jacek; Roncero, Octavio; Aguado, Alfredo; Aoiz, F. Javier; Castillo, Jesús F.; Goicoechea, Javier R.; Etxaluze, Mireya; Cernicharo, José

    2014-10-10

    The rate constants required to model the OH{sup +} observations in different regions of the interstellar medium have been determined using state of the art quantum methods. First, state-to-state rate constants for the H{sub 2}(v = 0, J = 0, 1) + O{sup +}({sup 4} S) → H + OH{sup +}(X {sup 3}Σ{sup –}, v', N) reaction have been obtained using a quantum wave packet method. The calculations have been compared with time-independent results to assess the accuracy of reaction probabilities at collision energies of about 1 meV. The good agreement between the simulations and the existing experimental cross sections in the 0.01-1 eV energy range shows the quality of the results. The calculated state-to-state rate constants have been fitted to an analytical form. Second, the Einstein coefficients of OH{sup +} have been obtained for all astronomically significant rovibrational bands involving the X {sup 3}Σ{sup –} and/or A {sup 3}Π electronic states. For this purpose, the potential energy curves and electric dipole transition moments for seven electronic states of OH{sup +} are calculated with ab initio methods at the highest level, including spin-orbit terms, and the rovibrational levels have been calculated including the empirical spin-rotation and spin-spin terms. Third, the state-to-state rate constants for inelastic collisions between He and OH{sup +}(X {sup 3}Σ{sup –}) have been calculated using a time-independent close coupling method on a new potential energy surface. All these rates have been implemented in detailed chemical and radiative transfer models. Applications of these models to various astronomical sources show that inelastic collisions dominate the excitation of the rotational levels of OH{sup +}. In the models considered, the excitation resulting from the chemical formation of OH{sup +} increases the line fluxes by about 10% or less depending on the density of the gas.

  8. MODELING MULTI-WAVELENGTH STELLAR ASTROMETRY. II. DETERMINING ABSOLUTE INCLINATIONS, GRAVITY-DARKENING COEFFICIENTS, AND SPOT PARAMETERS OF SINGLE STARS WITH SIM LITE

    SciTech Connect

    Coughlin, Jeffrey L.; Harrison, Thomas E.; Gelino, Dawn M.

    2010-11-10

    We present a novel technique to determine the absolute inclination of single stars using multi-wavelength submilliarcsecond astrometry. The technique exploits the effect of gravity darkening, which causes a wavelength-dependent astrometric displacement parallel to a star's projected rotation axis. We find that this effect is clearly detectable using SIM Lite for various giant stars and rapid rotators, and present detailed models for multiple systems using the REFLUX code. We also explore the multi-wavelength astrometric reflex motion induced by spots on single stars. We find that it should be possible to determine spot size, relative temperature, and some positional information for both giant and nearby main-sequence stars utilizing multi-wavelength SIM Lite data. These data will be extremely useful in stellar and exoplanet astrophysics, as well as supporting the primary SIM Lite mission through proper multi-wavelength calibration of the giant star astrometric reference frame, and reduction of noise introduced by starspots when searching for extrasolar planets.

  9. The Effect of Rate of Change of Angle of Attack on the Maximum Lift Coefficient of a Pursuit Airplane

    DTIC Science & Technology

    1951-10-01

    The effect of rate of change of angle of attack on the maximum lift coefficient of a pursuit airplane equipped with a low-drag-type wing has been...lift coefficients were found to increase linearly with increasing rate of change of angle of attack per chord length of travel up to the maximum rate...indicated that the Mach and Reynolds numbers effects were of sufficient importance to produce more than a twofold variation in the increment of due to a given rate of change of angle of attack.

  10. Atmospheric Chemistry of 1-Methoxy 2-Propyl Acetate: UV Absorption Cross Sections, Rate Coefficients, and Products of Its Reactions with OH Radicals and Cl Atoms.

    PubMed

    Zogka, Antonia G; Mellouki, Abdelwahid; Romanias, Manolis N; Bedjanian, Yuri; Idir, Mahmoud; Grosselin, Benoit; Daële, Véronique

    2016-11-17

    The rate coefficients for the reactions of OH and Cl with 1-methoxy 2-propyl acetate (MPA) in the gas phase were measured using absolute and relative methods. The kinetic study on the OH reaction was conducted in the temperature (263-373) K and pressure (1-760) Torr ranges using the pulsed laser photolysis-laser-induced fluorescence technique, a low pressure fast flow tube reactor-quadrupole mass spectrometer, and an atmospheric simulation chamber/GC-FID. The derived Arrhenius expression is kMPA+OH(T) = (2.01 ± 0.02) × 10(-12) exp[(588 ± 123/T)] cm(3) molecule(-1) s(-1). The absolute and relative rate coefficients for the reaction of Cl with MPA were measured at room temperature in the flow reactor and the atmospheric simulation chamber, which led to k(Cl+MPA) = (1.98 ± 0.31) × 10(-10) cm(3) molecule(-1) s(-1). GC-FID, GC-MS, and FT-IR techniques were used to investigate the reaction mechanism in the presence of NO. The products formed from the reaction of MPA with OH and their yields were methyl formate (80 ± 7.3%), acetic acid (50 ± 4.8%), and acetic anhydride (22 ± 2.4%), while for Cl reaction, the obtained yields were 60 ± 5.4, 41 ± 3.8, and 11 ± 1.2%, respectively, for the same products. The UV absorption cross section spectrum of MPA was determined in the wavelength range 210-370 nm. The study has shown no photolysis of MPA under atmospheric conditions. The obtained results are used to derive the atmospheric implication.

  11. A new approach to assess the dependency of extant half-saturation coefficients on maximum process rates and estimate intrinsic coefficients.

    PubMed

    Shaw, A; Takács, I; Pagilla, K R; Murthy, S

    2013-10-15

    The Monod equation is often used to describe biological treatment processes and is the foundation for many activated sludge models. The Monod equation includes a "half-saturation coefficient" to describe the effect of substrate limitations on the process rate and it is customary to consider this parameter to be a constant for a given system. The purpose of this study was to develop a methodology, and its use to show that the half-saturation coefficient for denitrification is not constant but is in fact a function of the maximum denitrification rate. A 4-step procedure is developed to investigate the dependency of half-saturation coefficients on the maximum rate and two different models are used to describe this dependency: (a) an empirical linear model and (b) a deterministic model based on Fick's law of diffusion. Both models are proved better for describing denitrification kinetics than assuming a fixed K(NO3) at low nitrate concentrations. The empirical model is more utilitarian whereas the model based on Fick's law has a fundamental basis that enables the intrinsic K(NO3) to be estimated. In this study data was analyzed from 56 denitrification rate tests and it was found that the extant K(NO3) varied between 0.07 mgN/L and 1.47 mgN/L (5th and 95th percentile respectively) with an average of 0.47 mgN/L. In contrast to this, the intrinsic K(NO3) estimated for the diffusion model was 0.01 mgN/L which indicates that the extant K(NO3) is greatly influenced by, and mostly describes, diffusion limitations.

  12. A simple chlorophyll fluorescence parameter that correlates with the rate coefficient of photoinactivation of photosystem II.

    PubMed

    Hendrickson, Luke; Förster, Britta; Pogson, Barry J; Chow, Wah Soon

    2005-06-01

    A method of partitioning the energy in a mixed population of active and photoinactivated Photosystem II (PS II) complexes based on chlorophyll fluorescence measurements is presented. There are four energy fluxes, each with its quantum efficiency: a flux associated with photochemical electron flow in active PS II reaction centres (JPS II), thermal dissipation in photoinactivated, non-functional PS IIs (JNF), light-regulated thermal dissipation in active PS IIs (JNPQ) and a combined flux of fluorescence and constitutive, light-independent thermal dissipation (Jf,D). The four quantum efficiencies add up to 1.0, without the need to introduce an 'excess' term E, which in other studies has been claimed to be linearly correlated with the rate coefficient of photoinactivation of PS II (kpi). We examined the correlation of kpi with various fluxes, and found that the combined flux (JNPQ + Jf,D= Jpi) is as well correlated with kpi as is E. This combined flux arises from Fs/Fm ', the ratio of steady-state to maximum fluorescence during illumination, which represents the quantum efficiency of combined non-photochemical dissipation pathways in active PS IIs. Since Fs/Fm ' or its equivalent, Jpi, is a likely source of events leading to photoinactivation of PS II, we conclude that Fs/Fm ' is a simple predictor of kpi.

  13. Cross method for analysis of the erythrocyte sedimentation rate and aggregation coefficient in medical diagnostics

    NASA Astrophysics Data System (ADS)

    Yamaikina, Irene V.; Furmanchuk, Dmitryi A.

    1998-06-01

    Method of erythrocyte sedimentation rate (ESR) measurement is non-specific one. The ESR are tightly correlated to increase or decrease of aggregation coefficient (N). The variations of N could happen due to two main reasons: either changes in concentration of plasma proteins (first of all of fibrinogen) or changes of erythrocyte membrane characteristics (surface charge, transmembrane potential). The cross-method of ESR analysis has been proposed, using blood samples from patient and healthy donor of the same ABO blood groups and Rh-factors. The hematocrit (Ho)-ESR dependencies were measured in four variants: (1) patient's erythrocytes in patient's plasma; (2) patient's erythrocytes in donor's plasma; (3) donor's erythrocytes in donor's plasma; (4) donor's erythrocytes in patient's plasma. On presenting the ESR data for more than 100 patients with different bone marrow disorders after chemotherapy in the coordinates Ho-ESR three conventional zones could be marked out: high-ESR zone, medium zone and zone of low level of Ho. Proposed cross-method allows to estimate which of the two aforementioned reasons results in ESR variation. Some patients revealed not only changed fibrinogen level but additional changes in membrane affinity to fibrinogen. The modificated ESR cross-method opens us some new capacities in medical diagnostics.

  14. The recombination rate coefficient of a protonated acetone dimer with electrons: indication of a temperature dependence

    NASA Astrophysics Data System (ADS)

    Glosík, Juraj; Plasil, Radek

    2000-10-01

    The formation and recombination of a protonated acetone dimer with electrons was studied in the flowing afterglow. H3O+ ions were formed in the early post-discharge region. The subsequent addition of acetone leads to the formation of the protonated ions CH3COCH3H+. These ions further associate with acetone forming the cluster ions H+·(CH3COCH3)2 that react further with acetone, but very slowly. This facilitates the creation of an afterglow plasma with a dominant population of H+·(CH3COCH3)2. The evolution of electron number density (ne) and electron temperature (Te) is measured using the Langmuir probe. The recombination rate coefficients that are obtained indicate a negative temperature dependence: α = (3.4±1)×10-6 cm3 s-1 at Te = (580±150) K and α = (7±2.5)×10-6 cm3 s-1 at Te = (450±100) K.

  15. Electron Impact Ionization Cross Sections and Rate Coefficients for Single Carbon Freon Molecules

    NASA Astrophysics Data System (ADS)

    Pal, Satyendra; Kumar, Neeraj

    2015-09-01

    Single carbon Freon molecules or chlorofluorocarbons (CFCs) are important industrial material with wide-ranging applications as refrigerant, aerosol propellant and semiconductor etchant, etc. The large-scale industrial consumption is of particular environmental concern because of its potential for ozone destruction in the stratosphere. In the present work, we have extended and generalized the modified Jain-Khare (JK) semi-empirical formalism for the evaluation of the total ionization cross sections corresponding to the formation of the cations in the electron impact ionization of molecules to the electron impact ionization of single carbon freon molecules, viz. CFCl3, CF2Cl2 and CF3Cl. The integral partial and the total ionization cross sections as function of incident electron energy are evaluated in the energy range varying from ionization threshold to 1000 eV. In absence of available differential cross sections, the corresponding derived partial and total ionization cross sections revealed a reasonably good agreement with the experimental and theoretical data, wherever available. In addition to the differential and integral ionization cross sections, we have also calculated the ionization rate coefficients using the evaluated partial ionization cross sections and the Maxwell-Boltzmann distribution as a function of electron temperature/energy. The work is supported by DST, New Delhi, India.

  16. Uptake rate constants and partition coefficients for vapor phase organic chemicals using semipermeable membrane devices (SPMDs)

    USGS Publications Warehouse

    Cranor, W.L.; Alvarez, D.A.; Huckins, J.N.; Petty, J.D.

    2009-01-01

    To fully utilize semipermeable membrane devices (SPMDs) as passive samplers in air monitoring, data are required to accurately estimate airborne concentrations of environmental contaminants. Limited uptake rate constants (kua) and no SPMD air partitioning coefficient (Ksa) existed for vapor-phase contaminants. This research was conducted to expand the existing body of kinetic data for SPMD air sampling by determining kua and Ksa for a number of airborne contaminants including the chemical classes: polycyclic aromatic hydrocarbons, organochlorine pesticides, brominated diphenyl ethers, phthalate esters, synthetic pyrethroids, and organophosphate/organosulfur pesticides. The kuas were obtained for 48 of 50 chemicals investigated and ranged from 0.03 to 3.07??m3??g-1??d-1. In cases where uptake was approaching equilibrium, Ksas were approximated. Ksa values (no units) were determined or estimated for 48 of the chemicals investigated and ranging from 3.84E+5 to 7.34E+7. This research utilized a test system (United States Patent 6,877,724 B1) which afforded the capability to generate and maintain constant concentrations of vapor-phase chemical mixtures. The test system and experimental design employed gave reproducible results during experimental runs spanning more than two years. This reproducibility was shown by obtaining mean kua values (n??=??3) of anthracene and p,p???-DDE at 0.96 and 1.57??m3??g-1??d-1 with relative standard deviations of 8.4% and 8.6% respectively.

  17. Electron Impact Ionization cross sections and rate coefficients for α-tetra hydro furfuryl alcohol

    NASA Astrophysics Data System (ADS)

    Kumar, Neeraj; Pal, Satyendra

    2013-09-01

    α - tetrahydrofurfuryl alcohol (THFA; C5H10O2) is an aromatic compound having the molecular structure similar to that of 2-deoxy-D-ribose (deoxyribose). This molecule has attracted enormous interest in the field of research because its electron charge cloud possesses a quite significant spatial extent (dipole polarizability, α = 70.18 au) and has a relatively strong permanent dipole moment (μ ~ 2D). In the present work, we have extended and generalized the modified Jain-Khare semi-empirical formalism for the evaluation of the total ionization cross sections corresponding to the formation of the cations in the electron impact ionization of molecules to the electron impact ionization of α-tetrahydrofurfuryl alcohol (THFA; C5H10O2) , in the energy range varying from ionization threshold to 1000 eV. The evaluated cross sections revealed a reasonably good agreement with the experimental and theoretical data, wherever available. We have also calculated the ionization rate coefficients as a function of electron energy, using the evaluated total ionization cross sections and the Maxwell-Boltzmann distribution.

  18. Gas-phase ozonolysis of β-ocimene: Temperature dependent rate coefficients and product distribution

    NASA Astrophysics Data System (ADS)

    Gaona-Colmán, Elizabeth; Blanco, María B.; Barnes, Ian; Teruel, Mariano A.

    2016-12-01

    Rate coefficients for the reaction of β-ocimene with O3 molecules have been determined over the temperature range 288-311 K at 750 Torr total pressure of nitrogen using the relative rate technique. The investigations were performed in a large volume reaction vessel using long-path in-situ Fourier transformed infrared (FTIR) spectroscopy to monitor the reactants and products. A value of k(β-ocimene + O3) = (3.74 ± 0.92) × 10-16 cm3 molecule-1 s-1 has been obtained for the reaction at 298 K. The temperature dependence of the reaction is best described by the Arrhenius expression k = (1.94 ± 0.02) × 10-14 exp [(-1181 ± 51)/T] cm3 molecule-1 s-1. In addition, a product study has been carried out at 298 K in 750 Torr of synthetic air and the following products with yields in molar % were observed: formaldehyde (36 ± 2), acetone (15 ± 1), methylglyoxal (9.5 ± 0.4) and hydroxyacetone (19 ± 1). The formation of formaldehyde can be explained by the addition of O3 to the C1sbnd C2 double bond of the β-ocimene. Addition of O3 to the C6sbnd C7 double bond leads to the formation of acetone and the CH3C·(OO·)CH3 biradical, which can through isomerization/stabilization form methylglyoxal (hydroperoxide channel) and hydroxyacetone. The formed products will contribute to the formation of PAN and derivatives in polluted environments and also the oxidation capacity of the atmosphere.

  19. Absolute and relative nonlinear optical coefficients of KDP, KD(asterisk)P, BaB2O4, LiIO3, MgO:LiNbO3, and KTP measured by phase-matched second-harmonic generation

    NASA Technical Reports Server (NTRS)

    Eckardt, Robert C.; Byer, Robert L.; Masuda, Hisashi; Fan, Yuan Xuan

    1990-01-01

    Both absolute and relative nonlinear optical coefficients of six nonlinear materials measured by second-harmonic generation are discussed. A single-mode, injection-seeded, Q-switched Nd:YAG laser with spatially filtered output was used to generate the 1.064-micron fundamental radiation. The following results were obtained: d36(KDP) = 0.38 pm/V, d36(KD/asterisk/P) = 0.37 pm/V, (parallel)d22(BaB2O4)(parallel) = 2.2 pm/V, d31(LiIO3) = -4.1 pm/V, d31(5 percentMgO:MgO LiNbO3) = -4.7 pm/V, and d(eff)(KTP) = 3.2 pm/V. The accuracy of these measurements is estimated to be better than 10 percent.

  20. Communication: rate coefficients from quasiclassical trajectory calculations from the reverse reaction: The Mu + H2 reaction re-visited.

    PubMed

    Homayoon, Zahra; Jambrina, Pablo G; Aoiz, F Javier; Bowman, Joel M

    2012-07-14

    In a previous paper [P. G. Jambrina et al., J. Chem. Phys. 135, 034310 (2011)] various calculations of the rate coefficient for the Mu + H(2) → MuH + H reaction were presented and compared to experiment. The widely used standard quasiclassical trajectory (QCT) method was shown to overestimate the rate coefficients by several orders of magnitude over the temperature range 200-1000 K. This was attributed to a major failure of that method to describe the correct threshold for the reaction owing to the large difference in zero-point energies (ZPE) of the reactant H(2) and product MuH (∼0.32 eV). In this Communication we show that by performing standard QCT calculations for the reverse reaction and then applying detailed balance, the resulting rate coefficient is in very good agreement with the other computational results that respect the ZPE, (as well as with the experiment) but which are more demanding computationally.

  1. Fractional rate of change of swim-bladder volume is reliably related to absolute depth during vertical displacements in teleost fish.

    PubMed

    Taylor, Graham K; Holbrook, Robert Iain; de Perera, Theresa Burt

    2010-09-06

    Fish must orient in three dimensions as they navigate through space, but it is unknown whether they are assisted by a sense of depth. In principle, depth can be estimated directly from hydrostatic pressure, but although teleost fish are exquisitely sensitive to changes in pressure, they appear unable to measure absolute pressure. Teleosts sense changes in pressure via changes in the volume of their gas-filled swim-bladder, but because the amount of gas it contains is varied to regulate buoyancy, this cannot act as a long-term steady reference for inferring absolute pressure. In consequence, it is generally thought that teleosts are unable to sense depth using hydrostatic pressure. Here, we overturn this received wisdom by showing from a theoretical physical perspective that absolute depth could be estimated during fast, steady vertical displacements by combining a measurement of vertical speed with a measurement of the fractional rate of change of swim-bladder volume. This mechanism works even if the amount of gas in the swim-bladder varies, provided that this variation occurs over much longer time scales than changes in volume during displacements. There is therefore no a priori physical justification for assuming that teleost fish cannot sense absolute depth by using hydrostatic pressure cues.

  2. Temperature dependence of the rate coefficient for charge exchange of metastable O/+//2D/ with N2. [in atmosphere

    NASA Technical Reports Server (NTRS)

    Torr, M. R.; Torr, D. G.

    1980-01-01

    Using a data base of aeronomical parameters measured on board the Atmosphere Explorer-C satellite, temperature dependence of the reaction rate coefficient is deduced for the charge exchange of O(+)(2D) with N2. The results indicate the Explorer values determined over the temperature range from 700 to 1900 K are not in conflict with laboratory measurements made at higher temperatures.

  3. Computations and estimates of rate coefficients for hydrocarbon reactions of interest to the atmospheres of outer solar system

    NASA Technical Reports Server (NTRS)

    Laufer, A. H.; Gardner, E. P.; Kwok, T. L.; Yung, Y. L.

    1983-01-01

    The rate coefficients, including Arrhenius parameters, have been computed for a number of chemical reactions involving hydrocarbon species for which experimental data are not available and which are important in planetary atmospheric models. The techniques used to calculate the kinetic parameters include the Troe and semiempirical bond energy-bond order (BEBO) or bond strength-bond length (BSBL) methods.

  4. Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for Modeling X-Ray Photoionized Cosmic Plasmas

    NASA Technical Reports Server (NTRS)

    Savin, D. W.; Gwinner, G.; Schwalm, D.; Wolf, A.; Mueller, A.; Schippers, S.

    2002-01-01

    Low temperature dielectronic recombination (DR) is the dominant recombination mechanism for most ions in X-ray photoionized cosmic plasmas. Reliably modeling and interpreting spectra from these plasmas requires accurate low temperature DR rate Coefficients. Of particular importance are the DR rate coefficients for the iron L-shell ions (Fe XVII-Fe XXIV). These ions are predicted to play an important role in determining the thermal structure and line emission of X-ray photoionized plasmas, which form in the media surrounding accretion powered sources such as X-ray binaries (XRBs), active galactic nuclei (AGN), and cataclysmic variables (Savin et al., 2000). The need for reliable DR data of iron L-shell ions has become particularly urgent after the launches of Chandra and XMM-Newton. These satellites are now providing high-resolution X-ray spectra from a wide range of X-ray photoionized sources. Interpreting the spectra from these sources requires reliable DR rate coefficients. However, at the temperatures relevant, for X-ray photoionized plasmas, existing theoretical DR rate coefficients can differ from one another by factors of two to orders of magnitudes.

  5. Thermal decomposition of HO2NO2 (peroxynitric acid, PNA): rate coefficient and determination of the enthalpy of formation.

    PubMed

    Gierczak, Tomasz; Jiménez, Elena; Riffault, Veronique; Burkholder, James B; Ravishankara, A R

    2005-02-03

    Rate coefficients for the gas-phase thermal decomposition of HO(2)NO(2) (peroxynitric acid, PNA) are reported at temperatures between 331 and 350 K at total pressures of 25 and 50 Torr of N(2). Rate coefficients were determined by measuring the steady-state OH concentration in a mixture of known concentrations of HO(2)NO(2) and NO. The measured thermal decomposition rate coefficients k(-)(1)(T,P) are used in combination with previously published rate coefficient data for the HO(2)NO(2) formation reaction to yield a standard enthalpy for reaction 1 of Delta(r)H degrees (298K) = -24.0 +/- 0.5 kcal mol(-1) (uncertainties are 2sigma values and include estimated systematic errors). A HO(2)NO(2) standard heat of formation, Delta(f)H degrees (298K)(HO(2)NO(2)), of -12.6 +/- 1.0 kcal mol(-1) was calculated from this value. Some of the previously reported data on the thermal decomposition of HO(2)NO(2) have been reanalyzed and shown to be in good agreement with our reported value.

  6. Structural effects on the beta-scission reaction of alkoxyl radicals. Direct measurement of the absolute rate constants for ring opening of benzocycloalken-1-oxyl radicals.

    PubMed

    Bietti, Massimo; Lanzalunga, Osvaldo; Salamone, Michela

    2005-02-18

    [reaction: see text] The absolute rate constants for beta-scission of a series of benzocycloalken-1-oxyl radicals and of the 2-(4-methylphenyl)-2-butoxyl radical have been measured directly by laser flash photolysis. The benzocycloalken-1-oxyl radicals undergo ring opening with rates which parallel the ring strain of the corresponding cycloalkanes. In the 1-X-indan-1-oxyl radical series, ring opening is observed when X = H, Me, whereas exclusive C-X bond cleavage occurs when X = Et. The factors governing the fragmentation regioselectivity are discussed.

  7. A method for estimating distributions of mass transfer rate coefficients with application to purging and batch experiments

    NASA Astrophysics Data System (ADS)

    Hollenbeck, K. J.; Harvey, C. F.; Haggerty, R.; Werth, C. J.

    1999-04-01

    Mass transfer between aquifer material and groundwater is often modeled as first-order rate-limited sorption or diffusive exchange between mobile zones and immobile zones with idealized geometries. Recent improvements in experimental techniques and advances in our understanding of pore-scale heterogeneity demonstrate that two (or even a few) rate coefficients are insufficient in many cases. Here, we investigate a piece-wise linear model for a continuous distribution of rate coefficients, that has several advantages over previously used `statistical' distribution models (with functional form from gamma or lognormal PDF's): (1) distributions of arbitrary, even bimodal, shapes can be represented; (2) linear estimation methods can be applied to determine the distribution from experimental data; (3) the uncertainty in the distribution can be determined for each of its sections; and (4) the relationship between the time scales of available data and those of estimatable mass transfer processes can be investigated. A statistical model refinement algorithm is presented that reduces the number of parameters (sections of the piece-wise linear model) to the admissible minimum. We show that purging experiments allow estimation of a wider zone of the rate distribution than do batch experiments, and hence will provide predictions that are accurate over a wider range of time scales. Finally, in an application to TCE gas-purging desorption data, the piece-wise linear rate-distribution model has a higher probability of being adequate than those using a gamma or lognormal distribution or a single rate coefficient.

  8. Modeling exposure close to air pollution sources in naturally ventilated residences: association of turbulent diffusion coefficient with air change rate.

    PubMed

    Cheng, Kai-Chung; Acevedo-Bolton, Viviana; Jiang, Ruo-Ting; Klepeis, Neil E; Ott, Wayne R; Fringer, Oliver B; Hildemann, Lynn M

    2011-05-01

    For modeling exposure close to an indoor air pollution source, an isotropic turbulent diffusion coefficient is used to represent the average spread of emissions. However, its magnitude indoors has been difficult to assess experimentally due to limitations in the number of monitors available. We used 30-37 real-time monitors to simultaneously measure CO at different angles and distances from a continuous indoor point source. For 11 experiments involving two houses, with natural ventilation conditions ranging from <0.2 to >5 air changes per h, an eddy diffusion model was used to estimate the turbulent diffusion coefficients, which ranged from 0.001 to 0.013 m² s⁻¹. The model reproduced observed concentrations with reasonable accuracy over radial distances of 0.25-5.0 m. The air change rate, as measured using a SF₆ tracer gas release, showed a significant positive linear correlation with the air mixing rate, defined as the turbulent diffusion coefficient divided by a squared length scale representing the room size. The ability to estimate the indoor turbulent diffusion coefficient using two readily measurable parameters (air change rate and room dimensions) is useful for accurately modeling exposures in close proximity to an indoor pollution source.

  9. Absolute Zero

    NASA Astrophysics Data System (ADS)

    Donnelly, Russell J.; Sheibley, D.; Belloni, M.; Stamper-Kurn, D.; Vinen, W. F.

    2006-12-01

    Absolute Zero is a two hour PBS special attempting to bring to the general public some of the advances made in 400 years of thermodynamics. It is based on the book “Absolute Zero and the Conquest of Cold” by Tom Shachtman. Absolute Zero will call long-overdue attention to the remarkable strides that have been made in low-temperature physics, a field that has produced 27 Nobel Prizes. It will explore the ongoing interplay between science and technology through historical examples including refrigerators, ice machines, frozen foods, liquid oxygen and nitrogen as well as much colder fluids such as liquid hydrogen and liquid helium. A website has been established to promote the series: www.absolutezerocampaign.org. It contains information on the series, aimed primarily at students at the middle school level. There is a wealth of material here and we hope interested teachers will draw their student’s attention to this website and its substantial contents, which have been carefully vetted for accuracy.

  10. An Experimental Study on Normal Stress and Shear Rate Dependency of Basic Friction Coefficient in Dry and Wet Limestone Joints

    NASA Astrophysics Data System (ADS)

    Mehrishal, Seyedahmad; Sharifzadeh, Mostafa; Shahriar, Korosh; Song, Jae-Jon

    2016-12-01

    Among all parameters that affect the friction of rocks, variable normal stress and slip rate are the most important second-order parameters. The shear-rate- and normal-stress-dependent friction behavior of rock discontinuities may significantly influence the dynamic responses of rock mass. In this research, two limestone rock types, which were travertine and onyx marble with slickenside and grinded #80 surfaces, were prepared and CNL direct shear tests were performed on the joints under various shear conditions. The shearing rate varied from 0.1 to 50 mm/min under different normal stresses (from 2 to 30 % of UCS) in both dry and wet conditions. Experiments showed that the friction coefficient of slickensided and ground #80 surfaces of limestone increased with the increasing shear velocity and decreased with the increasing normal stress. Micro-asperity interlocking between ground #80 surfaces showed higher wear and an increase in friction coefficient ( µ) compared to slickensided surfaces. Slickensided samples with moist surfaces showed an increase in the coefficient of friction compared to dry surfaces; however, on ground #80 surfaces, the moisture decreased the coefficient of friction to a smaller value. Slickenside of limestone typically slides stably in a dry condition and by stick-slip on moist surfaces. The observed shear-rate- and normal-stress-dependent friction behavior can be explained by a similar framework to that of the adhesion theory of friction and a friction mechanism that involves the competition between microscopic dilatant slip and surface asperity deformation. The results have important implications for understanding the behavior of basic and residual friction coefficients of limestone rock surfaces.

  11. Sum over Histories Representation for Kinetic Sensitivity Analysis: How Chemical Pathways Change When Reaction Rate Coefficients Are Varied.

    PubMed

    Bai, Shirong; Davis, Michael J; Skodje, Rex T

    2015-11-12

    The sensitivity of kinetic observables is analyzed using a newly developed sum over histories representation of chemical kinetics. In the sum over histories representation, the concentrations of the chemical species are decomposed into the sum of probabilities for chemical pathways that follow molecules from reactants to products or intermediates. Unlike static flux methods for reaction path analysis, the sum over histories approach includes the explicit time dependence of the pathway probabilities. Using the sum over histories representation, the sensitivity of an observable with respect to a kinetic parameter such as a rate coefficient is then analyzed in terms of how that parameter affects the chemical pathway probabilities. The method is illustrated for species concentration target functions in H2 combustion where the rate coefficients are allowed to vary over their associated uncertainty ranges. It is found that large sensitivities are often associated with rate limiting steps along important chemical pathways or by reactions that control the branching of reactive flux.

  12. High-accuracy absolute rotation rate measurements with a large ring laser gyro: establishing the scale factor.

    PubMed

    Hurst, Robert B; Mayerbacher, Marinus; Gebauer, Andre; Schreiber, K Ulrich; Wells, Jon-Paul R

    2017-02-01

    Large ring lasers have exceeded the performance of navigational gyroscopes by several orders of magnitude and have become useful tools for geodesy. In order to apply them to tests in fundamental physics, remaining systematic errors have to be significantly reduced. We derive a modified expression for the Sagnac frequency of a square ring laser gyro under Earth rotation. The modifications include corrections for dispersion (of both the gain medium and the mirrors), for the Goos-Hänchen effect in the mirrors, and for refractive index of the gas filling the cavity. The corrections were measured and calculated for the 16  m2 Grossring laser located at the Geodetic Observatory Wettzell. The optical frequency and the free spectral range of this laser were measured, allowing unique determination of the longitudinal mode number, and measurement of the dispersion. Ultimately we find that the absolute scale factor of the gyroscope can be estimated to an accuracy of approximately 1 part in 108.

  13. Direct measurement and theoretical calculation of the rate coefficient for Cl + CH3 from T = 202 - 298 K.

    SciTech Connect

    Payne, Walter A.; Harding, Lawrence B.; Stief, Louis J.; Parker, James F. , 1925-; Klippenstein, Stephen J.; Nesbitt, Fred L.; Cody, Regina J.

    2004-10-01

    The rate coefficient has been measured under pseudo-first-order conditions for the Cl + CH{sub 3} association reaction at T = 202, 250, and 298 K and P = 0.3-2.0 Torr helium using the technique of discharge-flow mass spectrometry with low-energy (12-eV) electron-impact ionization and collision-free sampling. Cl and CH{sub 3} were generated rapidly and simultaneously by reaction of F with HCl and CH{sub 4}, respectively. Fluorine atoms were produced by microwave discharge in an approximately 1% mixture of F{sub 2} in He. The decay of CH{sub 3} was monitored under pseudo-first-order conditions with the Cl-atom concentration in large excess over the CH{sub 3} concentration ([Cl]{sub 0}/[CH{sub 3}]{sub 0} = 9-67). Small corrections were made for both axial and radial diffusion and minor secondary chemistry. The rate coefficient was found to be in the falloff regime over the range of pressures studied. For example, at T = 202 K, the rate coefficient increases from 8.4 x 10{sup -12} at P = 0.30 Torr He to 1.8 x 10{sup -11} at P = 2.00 Torr He, both in units of cm{sup 3} molecule{sup -1} s{sup -1}. A combination of ab initio quantum chemistry, variational transition-state theory, and master-equation simulations was employed in developing a theoretical model for the temperature and pressure dependence of the rate coefficient. Reasonable empirical representations of energy transfer and of the effect of spin-orbit interactions yield a temperature- and pressure-dependent rate coefficient that is in excellent agreement with the present experimental results. The high-pressure limiting rate coefficient from the RRKM calculations is k{sub 2} = 6.0 x 10{sup -11} cm{sup 3} molecule{sup -1} s{sup -1}, independent of temperature in the range from 200 to 300 K.

  14. Measurements of Rate Coefficients for Reactions of OH with Ethanol and Propan-2-ol at Very Low Temperatures.

    PubMed

    Caravan, Rebecca L; Shannon, Robin J; Lewis, Thomas; Blitz, Mark A; Heard, Dwayne E

    2015-07-16

    The low temperature kinetics of the reactions of OH with ethanol and propan-2-ol have been studied using a pulsed Laval nozzle apparatus coupled with pulsed laser photolysis-laser-induced fluorescence (PLP-LIF) spectroscopy. The rate coefficients for both reactions have been found to increase significantly as the temperature is lowered, by approximately a factor of 18 between 293 and 54 K for ethanol, and by ∼10 between 298 and 88 K for OH + propan-2-ol. The pressure dependence of the rate coefficients provides evidence for two reaction channels: a zero pressure bimolecular abstraction channel leading to products and collisional stabilization of a weakly bound OH-alcohol complex. The presence of the abstraction channel at low temperatures is rationalized by a quantum mechanical tunneling mechanism, most likely through the barrier to hydrogen abstraction from the OH moiety on the alcohol.

  15. Observation of enhanced rate coefficients in the H2 + + H 2 → H3 + + H reaction at low collision energies

    NASA Astrophysics Data System (ADS)

    Allmendinger, Pitt; Deiglmayr, Johannes; Höveler, Katharina; Schullian, Otto; Merkt, Frédéric

    2016-12-01

    The energy dependence of the rate coefficient of the H2 + + H 2 → H3 + + H reaction has been measured in the range of collision energies between k B ṡ 10 K and k B ṡ 300 mK . A clear deviation of the rate coefficient from the value expected on the basis of the classical Langevin-capture behavior has been observed at collision energies below k B ṡ 1 K , which is attributed to the joint effects of the ion-quadrupole and Coriolis interactions in collisions involving ortho-H2 molecules in the j = 1 rotational level, which make up 75% of the population of the neutral H2 molecules in the experiments. The experimental results are compared to very recent predictions by Dashevskaya et al. [J. Chem. Phys. 145, 244315 (2016)], with which they are in agreement.

  16. Measurement of Charge Transfer Rate Coefficient Between Ground-State N(2+) Ion and He at Electron-Volt Energies

    NASA Technical Reports Server (NTRS)

    Fang, Z.; Kwong, Victor H. S.

    1997-01-01

    The charge transfer rate coefficient for the reaction N(2+)(2p(sup 2)P(sup 0)) + He yields products is measured by recording the time dependence of the N(2+) ions stored in an ion trap. A cylindrical radio-frequency ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The decay of the ion signals was analyzed by single exponential least-squares fits to the data. The measured rate coefficient is 8.67(0.76) x 10(exp -11)sq cm/s. The N(2+) ions were at a mean energy of 2.7 eV while He gas was at room temperature, corresponding to an equivalent temperature of 3.9 x 10(exp 3) K. The measured value is in good agreement with a recent calculation.

  17. Elementary stage rate coefficients of heterogeneous catalytic recombination of dissociated air on thermal protective surfaces from ab initio approach

    NASA Astrophysics Data System (ADS)

    Buchachenko, A. A.; Kroupnov, A. A.; Kovalev, V. L.

    2015-08-01

    Elementary stage rate coefficients of the full system of kinetic equations describing heterogeneous catalytic recombination of the dissociated air on the surfaces of thermal protective ceramic coatings of β-cristobalite and α-Al2O3 are determined using the quantum-mechanical calculations within the framework of cluster models and literature data. Both the impact and associative recombination processes of adsorbed oxygen and nitrogen atoms are taken into account.

  18. Absolute rate of the reaction of atomic hydrogen with ethylene from 198 to 320 K at high pressure

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1978-01-01

    The rate constant for the H+C2H4 reaction has been measured as a function of temperature. Experiments were performed with high pressures of Ar heat bath gas at seven temperatures from 198 to 320 K with the flash photolysis-resonance fluorescence (FP-RF) technique. Pressures were chosen so as to isolate the addition rate constant k1. The results are well represented by an Arrhenius expression. The results are compared with other studies and are theoretically discussed.

  19. Absolute rate of the reaction of Cl(p-2) with molecular hydrogen from 200 - 500 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    Rate constants for the reaction of atomic chlorine with hydrogen are measured from 200 - 500 K using the flash photolysis-resonance fluorescence technique. The results are compared with previous work and are discussed with particular reference to the equilibrium constant for the reaction and to relative rate data for chlorine atom reactions. Theoretical calculations, using the BEBO method with tunneling, give excellent agreement with experiment.

  20. Absolute Summ

    NASA Astrophysics Data System (ADS)

    Phillips, Alfred, Jr.

    Summ means the entirety of the multiverse. It seems clear, from the inflation theories of A. Guth and others, that the creation of many universes is plausible. We argue that Absolute cosmological ideas, not unlike those of I. Newton, may be consistent with dynamic multiverse creations. As suggested in W. Heisenberg's uncertainty principle, and with the Anthropic Principle defended by S. Hawking, et al., human consciousness, buttressed by findings of neuroscience, may have to be considered in our models. Predictability, as A. Einstein realized with Invariants and General Relativity, may be required for new ideas to be part of physics. We present here a two postulate model geared to an Absolute Summ. The seedbed of this work is part of Akhnaton's philosophy (see S. Freud, Moses and Monotheism). Most important, however, is that the structure of human consciousness, manifest in Kenya's Rift Valley 200,000 years ago as Homo sapiens, who were the culmination of the six million year co-creation process of Hominins and Nature in Africa, allows us to do the physics that we do. .

  1. The effect of microbubbles on gas-liquid mass transfer coefficient and degradation rate of COD in wastewater treatment.

    PubMed

    Yao, Kangning; Chi, Yong; Wang, Fei; Yan, Jianhua; Ni, Mingjiang; Cen, Kefa

    2016-01-01

    A commonly used aeration device at present has the disadvantages of low mass transfer rate because the generated bubbles are several millimeters in diameter which are much bigger than microbubbles. Therefore, the effect of a microbubble on gas-liquid mass transfer and wastewater treatment process was investigated. To evaluate the effect of each bubble type, the volumetric mass transfer coefficients for microbubbles and conventional bubbles were determined. The volumetric mass transfer coefficient was 0.02905 s(-1) and 0.02191 s(-1) at a gas flow rate of 0.67 L min(-1) in tap water for microbubbles and conventional bubbles, respectively. The degradation rate of simulated municipal wastewater was also investigated, using aerobic activated sludge and ozone. Compared with the conventional bubble generator, the chemical oxygen demand (COD) removal rate was 2.04, 5.9, 3.26 times higher than those of the conventional bubble contactor at the same initial COD concentration of COD 200 mg L(-1), 400 mg L(-1), and 600 mg L(-1), while aerobic activated sludge was used. For the ozonation process, the rate of COD removal using microbubble generator was 2.38, 2.51, 2.89 times of those of the conventional bubble generator. Based on the results, the effect of initial COD concentration on the specific COD degradation rate were discussed in different systems. Thus, the results revealed that microbubbles could enhance mass transfer in wastewater treatment and be an effective method to improve the degradation of wastewater.

  2. [Evaluation on contribution rate of each component total salvianolic acids and characterization of apparent oil/water partition coefficient].

    PubMed

    Yan, Hong-mei; Chen, Xiao-yun; Xia, Hai-jian; Liu, Dan; Jia, Xiao-bin; Zhang, Zhen-hai

    2015-02-01

    The difference between three representative components of total salvianolic acids in pharmacodynamic activity were compared by three different pharmacological experiments: HUVECs oxidative damage experiment, 4 items of blood coagulation in vitro experiment in rabbits and experimental myocardial ischemia in rats. And the effects of contribution rate of each component were calculated by multi index comprehensive evaluation method based on CRITIC weights. The contribution rates of salvianolic acid B, rosmarinic acid and Danshensu were 28.85%, 30.11%, 41.04%. Apparent oil/water partition coefficient of each representative components of total salvianolic acids in n-octyl alcohol-buffer was tested and the total salvianolic acid components were characterized based on a combination of the approach of self-defined weighting coefficient with effects of contribution rate. Apparent oil/water partition coefficient of total salvianolic acids was 0.32, 1.06, 0.89, 0.98, 0.90, 0.13, 0.02, 0.20, 0.56 when in octanol-water/pH 1.2 dilute hydrochloric acid solution/ pH 2.0, 2.5, 5.0, 5.8, 6.8, 7.4, 7.8 phosphate buffer solution. It provides a certain reference for the characterization of components.

  3. Peptide kinetics from picoseconds to microseconds using boxed molecular dynamics: power law rate coefficients in cyclisation reactions.

    PubMed

    Shalashilin, Dmitrii V; Beddard, Godfrey S; Paci, Emanuele; Glowacki, David R

    2012-10-28

    Molecular dynamics (MD) methods are increasingly widespread, but simulation of rare events in complex molecular systems remains a challenge. We recently introduced the boxed molecular dynamics (BXD) method, which accelerates rare events, and simultaneously provides both kinetic and thermodynamic information. We illustrate how the BXD method may be used to obtain high-resolution kinetic data from explicit MD simulations, spanning picoseconds to microseconds. The method is applied to investigate the loop formation dynamics and kinetics of cyclisation for a range of polypeptides, and recovers a power law dependence of the instantaneous rate coefficient over six orders of magnitude in time, in good agreement with experimental observations. Analysis of our BXD results shows that this power law behaviour arises when there is a broad and nearly uniform spectrum of reaction rate coefficients. For the systems investigated in this work, where the free energy surfaces have relatively small barriers, the kinetics is very sensitive to the initial conditions: strongly non-equilibrium conditions give rise to power law kinetics, while equilibrium initial conditions result in a rate coefficient with only a weak dependence on time. These results suggest that BXD may offer us a powerful and general algorithm for describing kinetics and thermodynamics in chemical and biochemical systems.

  4. Absolute rate of the reaction of C l(2P) with methane from 200-500 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    Rate constants for the reaction of atomic chlorine with methane have been measured from 200-500K using the flash photolysis-resonance fluorescence technique. When the results from fourteen equally spaced experimental determinations are plotted in Arrhenius form a definite curvature is noted. The results are compared to previous work and are theoretically discussed.

  5. Absolute Photometry

    NASA Astrophysics Data System (ADS)

    Hartig, George

    1990-12-01

    The absolute sensitivity of the FOS will be determined in SV by observing 2 stars at 3 epochs, first in 3 apertures (1.0", 0.5", and 0.3" circular) and then in 1 aperture (1.0" circular). In cycle 1, one star, BD+28D4211 will be observed in the 1.0" aperture to establish the stability of the sensitivity and flat field characteristics and improve the accuracy obtained in SV. This star will also be observed through the paired apertures since these are not calibrated in SV. The stars will be observed in most detector/grating combinations. The data will be averaged to form the inverse sensitivity functions required by RSDP.

  6. A Review of Rate Coefficients in the H2-F2 Chemical Laser System

    DTIC Science & Technology

    1976-04-15

    JO, II dHlotonl Horn o’«po>i; II. SUPPLEMENTARY NOTES IV KEY WORDS (Contlnuo on fvorio au# // n»(»mry and td »r>’tty jy block...predicted relaxation rates for HCl, HBr , and HI that substantially agree with experimental data above 700 K. Applying the same theory to HF-HF and DF...contributions indicr* td by varying n is a refined perturbation on the total disappearance rate; therefore, »hc values for k1/w . ... are subject

  7. Absolute rate constant of the reaction OH + H2O2 yields HO2 + H2O from 245 to 423 K

    NASA Technical Reports Server (NTRS)

    Keyser, L. F.

    1980-01-01

    The absolute rate constant of the reaction between the hydroxyl radical and hydrogen peroxide was measured by using the discharge-flow resonance fluorescence technique at total pressure between 1 and 4 torr. At 298 K the result is (1.64 + or - 0.32) x 10 to the -12th cu cm/molecule s. The observed rate constant is independent of pressure, surface-to-volume ratio, the addition of vibrational quenchers, and the source of OH. The temperature dependence has also been determined between 245 and 423 K; the resulting Arrhenius expression is k cu cm/molecule s is equal to (2.51 + or - 0.6) x 10 to the -12th exp(-126 + or - 76/T).

  8. Absolute rate of the reaction of O/3-P/ with hydrogen sulfide over the temperature range 263 to 495 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Timmons, R. B.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    The technique of flash photolysis coupled with time resolved detection of O via resonance fluorescence has been used to obtain rate constants for the reaction of O(3-P) with H2S at temperatures from 263 to 495 K and at pressures in the range 10-400 torr. Under conditions where secondary reactions are avoided, the measured rate constants for the primary step obey the Arrhenius equation k = (7.24 plus or minus 1.07) x 10 to the -12th exp(-3300 plus or minus 100/1.987 T) cu cm/molecules/s. Experiments with D2S show that the reaction exhibits a primary isotope effect, in support of a hydrogen abstraction mechanism.

  9. Absolute rate parameters for the reaction of ground state atomic oxygen with carbonyl sulfide. [using O(3P) monitoring

    NASA Technical Reports Server (NTRS)

    Klemm, R. B.; Stief, L. J.

    1974-01-01

    The rate parameters for the reaction of O(3P) with carbonyl sulfide, O(3P) + OCS yields CO + SO have been determined directly by monitoring O(3P) using the flash photolysis-resonance fluorescence technique. The value for k sub 1 was measured over a temperature range of 263 - 502 K and the data were fitted to an Arrhenuis expression with good linearity.

  10. New Measurement of the Rate Coefficient for Three-Body Recombination of Oxygen Atoms in Presence of N2

    NASA Astrophysics Data System (ADS)

    Huestis, D. L.; Pejaković, D. A.; Copeland, R. A.; Kalogerakis, K. S.

    2004-12-01

    In the atmospheres of Earth, Venus, and Mars photodissociation of O2 and CO2 produces oxygen atoms that eventually undergo three-body recombination: O + O + M -> O2* + M. The competition between photodissociation, recombination, and diffusive vertical transport controls the atomic and molecular composition of the mesosphere and lower thermosphere. Knowledge of the rate coefficient for recombination of atomic oxygen is essential for modeling atmospheric composition. The most recent measurement of O-atom recombination rate coefficient is over thirty years old [1]. The published values of this rate coefficient have large divergence for both M = O2 and M = N2. For N2 as the third body, the room temperature coefficient varies between about 3 × 10-33 cm6s-1, which is the value recommended in the combustion science community, and 5 × 10-33 cm6s-1, a value used in the atmospheric modeling community. Previous laboratory investigations [2] of the process O + O + N2 -> O2* + N2 shared the same basic approach, which was to use N2 discharge flow system with NO added downstream to generate O-atoms in the absence of O2 through the reaction N + NO -> O + N2. This approach is vulnerable to heterogeneous recombination and other processes that may obscure the reaction of interest, mostly due to the low O-atom densities and, consequently, long reaction times. We employ an F2 laser with up to 50 mJ of 157 nm pulsed output to achieve nearly complete photodissociation of molecular oxygen. In a high-pressure (760 Torr) background of N2 the oxygen atoms recombine in a time scale of several milliseconds. Oxygen atom population is monitored by detecting 845-nm fluorescence, which is induced by the 226 nm output of the second laser via a two-photon process O(2p4 3P) + 2hν -> O(2p33p ^3P). Our measurements give a preliminary value for the O + O + N_2 recombination rate coefficient of approximately 3 \\times 10^{-33} cm^6s^{-1}, which favors the value recommended in the combustion community

  11. Cryogenic, Absolute, High Pressure Sensor

    NASA Technical Reports Server (NTRS)

    Chapman, John J. (Inventor); Shams. Qamar A. (Inventor); Powers, William T. (Inventor)

    2001-01-01

    A pressure sensor is provided for cryogenic, high pressure applications. A highly doped silicon piezoresistive pressure sensor is bonded to a silicon substrate in an absolute pressure sensing configuration. The absolute pressure sensor is bonded to an aluminum nitride substrate. Aluminum nitride has appropriate coefficient of thermal expansion for use with highly doped silicon at cryogenic temperatures. A group of sensors, either two sensors on two substrates or four sensors on a single substrate are packaged in a pressure vessel.

  12. N2O5 uptake coefficients and nocturnal NO2 removal rates determined from ambient wintertime measurements

    NASA Astrophysics Data System (ADS)

    Wagner, N. L.; Riedel, T. P.; Young, C. J.; Bahreini, R.; Brock, C. A.; Dubé, W. P.; Kim, S.; Middlebrook, A. M.; Öztürk, F.; Roberts, J. M.; Russo, R.; Sive, B.; Swarthout, R.; Thornton, J. A.; VandenBoer, T. C.; Zhou, Y.; Brown, S. S.

    2013-08-01

    Heterogeneous N2O5 uptake onto aerosol is the primary nocturnal path for removal of NOx (= NO + NO2) from the atmosphere and can also result in halogen activation through production of ClNO2. The N2O5 uptake coefficient has been the subject of numerous laboratory studies; however, only a few studies have determined the uptake coefficient from ambient measurements, and none has been focused on winter conditions, when the portion of NOx removed by N2O5 uptake is the largest. In this work, N2O5 uptake coefficients are determined from ambient wintertime measurements of N2O5 and related species at the Boulder Atmospheric Observatory in Weld County, CO, a location that is highly impacted by urban pollution from Denver, as well as emissions from agricultural activities and oil and gas extraction. A box model is used to analyze the nocturnal nitrate radical chemistry and predict the N2O5 concentration. The uptake coefficient in the model is iterated until the predicted N2O5 concentration matches the measured concentration. The results suggest that during winter, the most important influence that might suppress N2O5 uptake is aerosol nitrate but that this effect does not suppress uptake coefficients enough to limit the rate of NOx loss through N2O5 hydrolysis. N2O5 hydrolysis was found to dominate the nocturnal chemistry during this study consuming ~80% of nocturnal gas phase nitrate radical production. Typically, less than 15% of the total nitrate radical production remained in the form of nocturnal species at sunrise when they are photolyzed and reform NO2.

  13. Absolute and relative blindsight.

    PubMed

    Balsdon, Tarryn; Azzopardi, Paul

    2015-03-01

    The concept of relative blindsight, referring to a difference in conscious awareness between conditions otherwise matched for performance, was introduced by Lau and Passingham (2006) as a way of identifying the neural correlates of consciousness (NCC) in fMRI experiments. By analogy, absolute blindsight refers to a difference between performance and awareness regardless of whether it is possible to match performance across conditions. Here, we address the question of whether relative and absolute blindsight in normal observers can be accounted for by response bias. In our replication of Lau and Passingham's experiment, the relative blindsight effect was abolished when performance was assessed by means of a bias-free 2AFC task or when the criterion for awareness was varied. Furthermore, there was no evidence of either relative or absolute blindsight when both performance and awareness were assessed with bias-free measures derived from confidence ratings using signal detection theory. This suggests that both relative and absolute blindsight in normal observers amount to no more than variations in response bias in the assessment of performance and awareness. Consideration of the properties of psychometric functions reveals a number of ways in which relative and absolute blindsight could arise trivially and elucidates a basis for the distinction between Type 1 and Type 2 blindsight.

  14. Pressure dependence of the absolute rate constant for the reaction Cl + C2H2 from 210-361 K

    NASA Technical Reports Server (NTRS)

    Brunning, J.; Stief, L. J.

    1985-01-01

    In recent years, considerable attention has been given to the role of chlorine compounds in the catalytic destruction of stratospheric ozone. However, while some reactions have been studied extensively, the kinetic data for the reaction of Cl with C2H2 is sparse with only three known determinations of the rate constant k3. The reactions involved are Cl + C2H2 yields reversibly ClC2H2(asterisk) (3a) and ClC2H2(asterisk) + M yields ClC2H2 + M (3b). In the present study, flash photolysis coupled with chlorine atomic resonance fluorescence have been employed to determine the pressure and temperature dependence of k3 with the third body M = Ar. Room temperature values are also reported for M = N2. The pressure dependence observed in the experiments confirms the expectation that the reaction involves addition of Cl to the unsaturated C2H2 molecule followed by collisional stabilization of the resulting adduct radical.

  15. Absolute rate constants for hydrogen atom transfer from tertiary amides to the cumyloxyl radical: evaluating the role of stereoelectronic effects.

    PubMed

    Salamone, Michela; Milan, Michela; DiLabio, Gino A; Bietti, Massimo

    2014-08-01

    A time-resolved kinetic study of the hydrogen atom transfer (HAT) reactions from a series of alkanamides to the cumyloxyl radical (CumO(•)) was carried out. With N,N-dialkylformamides HAT preferentially occurs from the formyl C-H bond, while in N-formylpyrrolidine HAT mostly occurs from the ring α-C-H bonds. With the acetamides and the alkanamides almost exclusive HAT from the C-H bonds that are α to nitrogen was observed. The results obtained show that alignment between the C-H bond being broken and the amide π-system can lead to significant increases in the HAT rate constant (kH). This finding points toward the important role of stereoelectronic effects on the HAT reactivity and selectivity. The highest kH values were measured for the reactions of CumO(•) with N-acylpyrrolidines. These substrates have ring α-C-H bonds that are held in a conformation that is optimally aligned with the amide π-system, thus allowing for the relatively facile HAT reaction. The lowest kH value was measured for the reaction of N,N-diisobutylacetamide, wherein the steric bulk associated with the N-isobutyl groups increases the energy barrier required to reach the most suitable conformation for HAT. The experimental results are well supported by the computed BDEs for the C-H bonds of the most representative substrates.

  16. Optically based quantification of absolute cerebral metabolic rate of oxygen (CMRO2) with high spatial resolution in rodents

    NASA Astrophysics Data System (ADS)

    Yaseen, Mohammad A.; Srinivasan, Vivek J.; Sakadžić, Sava; Vinogradov, Sergei A.; Boas, David A.

    2010-02-01

    Measuring oxygen delivery in brain tissue is important for identifying the pathophysiological changes associated with brain injury and various diseases such as cancer, stroke, and Alzheimer's disease. We have developed a multi-modal imaging system for minimally invasive measurement of cerebral oxygenation and blood flow in small animals with high spatial resolution. The system allows for simultaneous measurement of blood flow using Fourier-domain optical coherence tomography, and oxygen partial pressure (pO2) using either confocal or multiphoton phosphorescence lifetime imaging with exogenous porphyrin-based dyes sensitive to dissolved oxygen. Here we present the changes in pO2 and blood flow in superficial cortical vessels of Sprague Dawley rats in response to conditions such as hypoxia, hyperoxia, and functional stimulation. pO2 measurements display considerable heterogeneity over distances that cannot be resolved with more widely used oxygen-monitoring techniques such as BOLD-fMRI. Large increases in blood flow are observed in response to functional stimulation and hypoxia. Our system allows for quantification of cerebral metabolic rate of oxygen (CMRO2) with high spatial resolution, providing a better understanding of metabolic dynamics during functional stimulation and under various neuropathologies. Ultimately, better insight into the underlying mechanisms of neuropathologies will facilitate the development of improved therapeutic strategies to minimize damage to brain tissue.

  17. Gravity field and solar component of the precession rate and nutation coefficients of Comet 67P/Churyumov-Gerasimenko

    NASA Astrophysics Data System (ADS)

    Lhotka, C.; Reimond, S.; Souchay, J.; Baur, O.

    2016-02-01

    The aim of this study is first to determine the gravity field of the comet 67P/Churyumov-Gerasimenko and second to derive the solar component of the precession rate and nutation coefficients of the spin-axis of the comet nucleus, i.e. without the direct, usually larger, effect of outgassing. The gravity field and related moments of inertia are obtained from two polyhedra, which are provided by the Optical, Spectroscopic, and Infrared Remote Imaging System (OSIRIS) and NAVigation CAMera (NAVCAM) experiments on Rosetta, and are based on the assumption of uniform density for the comet nucleus. We also calculate the forced precession rate as well as the nutation coefficients on the basis of Kinoshita's theory of rotation of the rigid Earth and adapted it to be able to indirectly include the effect of outgassing on the rotational parameters. The second degree denormalized Stokes coefficients of comet 67P/C-G turn out to be (bracketed numbers refer to second shape model) C20 ≃ -6.74 [-7.93] × 10-2, C22 ≃ 2.60 [2.71] × 10-2, consistent with normalized principal moments of inertia A/MR2 ≃ 0.13 [0.11], B/MR2 ≃ 0.23 [0.22], with polar moment c = C/MR2 ≃ 0.25, depending on the choice of the polyhedron model. The obliquity between the rotation axis and the mean orbit normal is ε ≃ 52°, and the precession rate only due to solar torques becomes dot{ψ }in [20,30] arcsec yr^{-1}. Oscillations in longitude caused by the gravitational pull of the Sun turn out to be of the order of Δψ ≃ 1 arcmin, and oscillations in obliquity can be estimated to be of the order of Δε ≃ 0.5 arcmin.

  18. Evaluation of the factors controlling the time-dependent inactivation rate coefficients of bacteriophage MS2 and PRD1

    USGS Publications Warehouse

    Anders, R.; Chrysikopoulos, C.V.

    2006-01-01

    Static and dynamic batch experiments were conducted to study the effects of temperature and the presence of sand on the inactivation of bacteriophage MS2 and PRD1. The experimental data suggested that the inactivation process can be satisfactorily represented by a pseudo-first-order expression with time-dependent rate coefficients. The time-dependent rate coefficients were used to determine pertinent thermodynamic properties required for the analysis of the molecular processes involved in the inactivation of each bacteriophage. A combination of high temperature and the presence of sand appears to produce the greatest disruption to the surrounding protein coat of MS2. However, the lower activation energies for PRD1 indicate a weaker dependence of the inactivation rate on temperature. Instead, the presence of air-liquid and air-solid interfaces appears to produce the greatest damage to specific viral components that are related to infection. These results indicate the importance of using thermodynamic parameters based on the time-dependent inactivation model to better predict the inactivation of viruses in groundwater. ?? 2006 American Chemical Society.

  19. Termolecular rate coefficients and the standard enthalpy of the reaction OH + CS sub 2 + M yields HOCS sub 2 + M

    SciTech Connect

    Diau, E.W.; Lee, Yuanpern )

    1991-01-10

    The reaction between OH and CS{sub 2} has been studied in He in the pressure range 9-270 Torr and the temperature range 249-298 K by means of the laser-photolysis/laser-induced-fluorescence technique. Analysis of the temporal profile of (OH) yielded the rate coefficients for the forward and reverse reactions for the equilibrium OH + CS{sub 2} + M {r equilibrium} HOCS{sub 2} + M and hence the equilibrium constant. Study of the temperature dependence of the equilibrium constant leads to the standard enthalpy of reaction {Delta}H{degree} = {minus}43.9 {plus minus} 5.3 kJ mol{sup {minus}1} and the standard entropy of reaction {Delta}S{degree} = {minus}102.9 {plus minus} 15.4 J K{sup {minus}1} mol{sup {minus}1}. The termolecular rate coefficients for the forward reaction at 298 K have also been determined to be k{sub He}{sup III} = (5.04 {plus minus} 1.01) {times} 10{sup {minus}32} cm{sup 6} molecule{sup {minus}2} s{sup {minus}1} and k{sub CS{sub 2}}{sup III} = (4.28 {plus minus} 1.07) {times} 10{sup {minus}31} cm{sup 6} molecule{sup {minus}2} s{sup {minus}1}.

  20. On the time dependence of rate coefficients of irreversible reactions between reactants with anisotropic reactivity in liquid solutions

    NASA Astrophysics Data System (ADS)

    Ivanov, Konstantin L.; Lukzen, Nikita N.; Doktorov, Alexander B.

    2016-08-01

    Time dependence of the rate coefficients of sterically specific reactions is analyzed theoretically. Generally, such reactions exhibit a non-trivial dependence of their rate constant on the steric factor, f < 1, which is defined as the fraction of reactive surface area. Notably, the rate constant of a diffusion-controlled reaction is proportional not to f but, counter-intuitively, to √{ f } due to partial averaging of the reaction anisotropy by translational diffusion. Here we demonstrate that the effective steric factor of a diffusion-influenced reaction is strongly time-dependent, increasing from f to √{ f } . When reactants have several active sites, these sites "interfere" each other in the sense that the rate constant depends on their relative positions. We demonstrate that such an interference effect is strongly time-dependent as well: it is absent at t = 0 but builds up with time. We argue that the outlined effects are also of importance for calculating the fluorescence quenching rate constants.

  1. Collisional quenching reaction rate coefficients of N2 (A3Σu+) by C2F6 and C3F8

    NASA Astrophysics Data System (ADS)

    Suzuki, Susumu; Kuboaki, Masaru; Itoh, Haruo

    2015-09-01

    The collisional quenching reaction rate coefficient of N2 (A3Σu+) by various air pollutant gases were determined from the measurement of the effective lifetime of N2 (A3Σu+) in pure N2 (5-nine) with a small amount of air pollutant gases as an admixture. Derivation of the rate coefficient was performed the waveform analysis of the transient ionization current after turning off the UV light in the Townsend discharge. In this paper, we report that the obtained collisional quenching reaction rate coefficients of N2 (A3Σu+) by C2F6 and C3F8 are (2.3 +/- 1.8) × 10-15 cm3/s and (1.6 +/- 0.8) × 10-14 cm3/s, respectively. Furthermore, we investigate the relationship between the rate coefficient and the mass number of their quenching molecular gases. Firstly, it is confirmed that the rate coefficient take large value with an increase in the mass number of the quenching gases. Secondly, if H atom is included in the gas molecules such as CH4, C2F6 and C3F8 the rate coefficient take large value, but if the molecules including F atom such as C2F6 and C3F8 instead of H atom in this study, more smaller values of the collisional quenching reaction rate coefficient are observed.

  2. Correlation Between Bacterial Attachment Rate Coefficients and Hydraulic Conductivity and its Effect on Field-Scale Bacterial Transport

    SciTech Connect

    Scheibe, Timothy D.; Dong, Hailiang; Xie, YuLong

    2007-06-01

    It has been widely observed in field experiments that the apparent rate of bacterial attachment, particularly as parameterized by the collision efficiency in filtration-based models, decreases with transport distance (i.e., exhibits scale-dependency). This effect has previously been attributed to microbial heterogeneity; that is, variability in cell-surface properties within a single monoclonal population. We demonstrate that this effect could also be interpreted as a field-scale manifestation of local-scale correlation between physical heterogeneity (hydraulic conductivity variability) and reaction heterogeneity (attachment rate coefficient variability). A field-scale model of bacterial transport developed for the South Oyster field research site located near Oyster, Virginia, and observations from field experiments performed at that site, are used as the basis for this study. Three-dimensional Monte Carlo simulations of bacterial transport were performed under four alternative scenarios: 1) homogeneous hydraulic conductivity (K) and attachment rate coefficient (Kf), 2) heterogeneous K, homogeneous Kf, 3) heterogeneous K and Kf with local correlation based on empirical and theoretical relationships, and 4) heterogeneous K and Kf without local correlation. The results of the 3D simulations were analyzed using 1D model approximations following conventional methods of field data analysis. An apparent decrease with transport distance of effective collision efficiency was observed only in the case where the local properties were both heterogeneous and correlated. This effect was observed despite the fact that the local collision efficiency was specified as a constant in the 3D model, and can therefore be interpreted as a scale effect associated with the local correlated heterogeneity as manifested at the field scale.

  3. OH-initiated degradation of a series of hexenols in the troposphere. Rate coefficients at 298 K and 1 atm

    NASA Astrophysics Data System (ADS)

    Gibilisco, Rodrigo G.; Santiago, Ana N.; Teruel, Mariano A.

    2013-10-01

    The kinetics of the reactions of OH radicals with three C6 unsaturated alcohols at 298 K and atmospheric pressure were investigated using solid phase microextraction (SPME) with GC-FID detection of organic compounds. Rate coefficients (in cm3 molecule-1 s-1) of k1(OH + (E)-CH2OHCHdbnd CH(CH2)2CH3) = (1.0 ± 0.3) × 10-10, k2(OH + (E)-CH2OHCH2CHdbnd CHCH2CH3) = (1.2 ± 0.2) × 10-10 and k3(OH + (Z)-CH2OHCH2CHdbnd CHCH2CH3) = (1.4 ± 0.3) × 10-10 were obtained by the relative rate method using methyl methacrylate and (E)-2-buten-1-ol as references. Rate coefficients were compared with previous determinations and reactivity trends were developed and rationalized in terms of the effect and position of substituents in the unsaturated alcohol. A correlation between the reactivity of unsaturated alcohols toward OH radicals and the energy of the HOMO of the unsaturated alcohol is presented. Additionally, product identification under atmospheric conditions was performed for the first time for these unsaturated C6 alcohols by the GC-MS technique. Butanal was observed as the main degradation product of OH with (E)-2-hexen-1-ol, in accordance with the decomposition of the 2,3-hydroxyalcoxy radicals formed. On the basis of our kinetic measurements, tropospheric lifetimes of the studied unsaturated compounds are estimated.

  4. Low-Temperature Rate Coefficients of C2H with CH4 and CD4 from 154 to 359 K

    NASA Technical Reports Server (NTRS)

    Opansky, Brian J.; Leone, Stephen R.

    1996-01-01

    Rate coefficients for the reaction C2H + CH4 yields C2H2 + CH3 and C2H + CD4 yields C2HD + CD3 are measured over the temperature range 154-359 K using transient infrared laser absorption spectroscopy. Ethynyl radicals are produced by pulsed laser photolysis of C2H2 in a variable temperature flow cell, and a tunable color center laser probes the transient removal of C2H (Chi(exp 2) Sigma(+) (0,0,0)) in absorption. The rate coefficients for the reactions of C2H with CH4 and CD4 both show a positive temperature dependence over the range 154-359 K, which can be expressed as k(sub CH4) = (1.2 +/- 0.1) x 10(exp -11) exp((-491 +/- 12)/T) and k(sub CD4) = (8.7 +/- 1.8) x 10(exp -12) exp((-650 +/- 61)/T) cm(exp 3) molecule(exp -1) s(exp -1), respectively. The reaction of C2H + CH4 exhibits a significant kinetic isotope effect at 300 K of k(sub CH4)/k(sub CD4) = 2.5 +/- 0.2. Temperature dependent rate constants for C2H + C2H2 were also remeasured over an increased temperature range from 143 to 359 K and found to show a slight negative temperature dependence, which can be expressed as k(sub C2H2) = 8.6 x 10(exp -16) T(exp 1.8) exp((474 +/- 90)/T) cm(exp 3) molecule(exp -1) s(exp -1).

  5. Correlations Among Ice Measurements, Impingement Rates Icing Conditions, and Drag Coefficients for Unswept NACA 65A004 Airfoil

    NASA Technical Reports Server (NTRS)

    Gray, Vernon H.

    1958-01-01

    An empirical relation has been obtained by which the change in drag coefficient caused by ice formations on an unswept NACA 65AO04 airfoil section can be determined from the following icing and operating conditions: icing time, airspeed, air total temperature, liquid-water content, cloud droplet impingement efficiencies, airfoil chord length, and angles of attack. The correlation was obtained by use of measured ice heights and ice angles. These measurements were obtained from a variety of ice formations, which were carefully photographed, cross-sectioned, and weighed. Ice weights increased at a constant rate with icing time in a rime icing condition and at progressively increasing rates in glaze icing conditions. Initial rates of ice collection agreed reasonably well with values predicted from droplet impingement data. Experimental droplet impingement rates obtained on this airfoil section agreed with previous theoretical calculations for angles of attack of 40 or less. Disagreement at higher angles of attack was attributed to flow separation from the upper surface of the experimental airfoil model.

  6. The effect of inbreeding rate on fitness, inbreeding depression and heterosis over a range of inbreeding coefficients

    PubMed Central

    Pekkala, Nina; Knott, K Emily; Kotiaho, Janne S; Nissinen, Kari; Puurtinen, Mikael

    2014-01-01

    Understanding the effects of inbreeding and genetic drift within populations and hybridization between genetically differentiated populations is important for many basic and applied questions in ecology and evolutionary biology. The magnitudes and even the directions of these effects can be influenced by various factors, especially by the current and historical population size (i.e. inbreeding rate). Using Drosophila littoralis as a model species, we studied the effect of inbreeding rate over a range of inbreeding levels on (i) mean fitness of a population (relative to that of an outbred control population), (ii) within-population inbreeding depression (reduction in fitness of offspring from inbred versus random mating within a population) and (iii) heterosis (increase in fitness of offspring from interpopulation versus within-population random mating). Inbreeding rate was manipulated by using three population sizes (2, 10 and 40), and fitness was measured as offspring survival and fecundity. Fast inbreeding (smaller effective population size) resulted in greater reduction in population mean fitness than slow inbreeding, when populations were compared over similar inbreeding coefficients. Correspondingly, populations with faster inbreeding expressed more heterosis upon interpopulation hybridization. Inbreeding depression within the populations did not have a clear relationship with either the rate or the level of inbreeding. PMID:25553071

  7. Determination of the Rate Coefficients of the SO2 plus O plus M yields SO3 plus M Reaction

    NASA Technical Reports Server (NTRS)

    Hwang, S. M.; Cooke, J. A.; De Witt, K. J.; Rabinowitz, M. J.

    2010-01-01

    Rate coefficients of the title reaction R(sub 31) (SO2 +O+M yields SO3 +M) and R(sub 56) (SO2 + HO2 yields SO3 +OH), important in the conversion of S(IV) to S(VI),were obtained at T =970-1150 K and rho (sub ave) = 16.2 micro mol/cubic cm behind reflected shock waves by a perturbation method. Shock-heated H2/ O2/Ar mixtures were perturbed by adding small amounts of SO2 (1%, 2%, and 3%) and the OH temporal profiles were then measured using laser absorption spectroscopy. Reaction rate coefficients were elucidated by matching the characteristic reaction times acquired from the individual experimental absorption profiles via simultaneous optimization of k(sub 31) and k(sub 56) values in the reaction modeling (for satisfactory matches to the observed characteristic times, it was necessary to take into account R(sub 56)). In the experimental conditions of this study, R(sub 31) is in the low-pressure limit. The rate coefficient expressions fitted using the combined data of this study and the previous experimental results are k(sub 31,0)/[Ar] = 2.9 10(exp 35) T(exp ?6.0) exp(?4780 K/T ) + 6.1 10(exp 24) T(exp ?3.0) exp(?1980 K/T ) cm(sup 6) mol(exp ?2)/ s at T = 300-2500 K; k(sub 56) = 1.36 10(exp 11) exp(?3420 K/T ) cm(exp 3)/mol/s at T = 970-1150 K. Computer simulations of typical aircraft engine environments, using the reaction mechanism with the above k(sub 31,0) and k(sub 56) expressions, gave the maximum S(IV) to S(VI) conversion yield of ca. 3.5% and 2.5% for the constant density and constant pressure flow condition, respectively. Moreover, maximum conversions occur at rather higher temperatures (?1200 K) than that where the maximum k(sub 31,0) value is located (approximately 800 K). This is because the conversion yield is dependent upon not only the k(sup 31,0) and k(sup 56) values (production flux) but also the availability of H, O, and HO2 in the system (consumption flux).

  8. Atmospheric reactions of methylcyclohexanes with Cl atoms and OH radicals: determination of rate coefficients and degradation products.

    PubMed

    Ballesteros, Bernabé; Ceacero-Vega, Antonio A; Jiménez, Elena; Albaladejo, José

    2015-04-01

    As the result of biogenic and anthropogenic activities, large quantities of chemical compounds are emitted into the troposphere. Alkanes, in general, and cycloalkanes are an important chemical class of hydrocarbons found in diesel, jet and gasoline, vehicle exhaust emissions, and ambient air in urban areas. In general, the primary atmospheric fate of organic compounds in the gas phase is the reaction with hydroxyl radicals (OH). The oxidation by Cl atoms has gained importance in the study of atmospheric reactions because they may exert some influence in the boundary layer, particularly in marine and coastal environments, and in the Arctic troposphere. The aim of this paper is to study of the atmospheric reactivity of methylcylohexanes with Cl atoms and OH radicals under atmospheric conditions (in air at room temperature and pressure). Relative kinetic techniques have been used to determine the rate coefficients for the reaction of Cl atoms and OH radicals with methylcyclohexane, cis-1,4-dimethylcyclohexane, trans-1,4-dimethylcyclohexane, and 1,3,5-trimethylcyclohexane at 298 ± 2 K and 720 ± 5 Torr of air by Fourier transform infrared) spectroscopy and gas chromatography-mass spectrometry (GC-MS) in two atmospheric simulation chambers. The products formed in the reaction under atmospheric conditions were investigated using a 200-L Teflon bag and employing the technique of solid-phase microextraction coupled to a GC-MS. The rate coefficients obtained for the reaction of Cl atoms with the studied compounds are the following ones (in units of 10(-10) cm(3) molecule(-1) s(-1)): (3.11 ± 0.16), (2.89 ± 0.16), (2.89 ± 0.26), and (2.61 ± 0.42), respectively. For the reactions with OH radicals the determined rate coefficients are (in units of 10(-11) cm(3) molecule(-1) s(-1)): (1.18 ± 0.12), (1.49 ± 0.16), (1.41 ± 0.15), and (1.77 ± 0.23), respectively. The reported error is twice the standard deviation. A detailed

  9. First principles transport coefficients and reaction rates of Ar2(+) ions in argon for cold plasma jet modeling.

    PubMed

    Chicheportiche, Alexandre; Stachoň, Martin; Benhenni, Malika; Gadéa, Florent Xavier; Kalus, René; Yousfi, Mohammed

    2014-10-07

    Momentum-transfer collision cross-sections and integral collision cross-sections for the collision-induced dissociation are calculated for collisions of ionized argon dimers with argon atoms using a nonadiabatic semiclassical method with the electronic Hamiltonian calculated on the fly via a diatomics-in-molecules semiempirical model as well as inverse-method modeling based on simple isotropic rigid-core potential. The collision cross-sections are then used in an optimized Monte Carlo code for evaluations of the Ar 2 (+) mobility in argon gas, longitudinal diffusion coefficient, and collision-induced dissociation rates. A thorough comparison of various theoretical calculations as well as with available experimental data on the Ar 2 (+) mobility and collision cross-sections is performed. Good agreement is found between both theoretical approaches and the experiment. Analysis of the role of inelastic processes in Ar 2 (+)/Ar collisions is also provided.

  10. Measurement of the emission rate of an aerosol source--comparison of aerosol and gas transport coefficients.

    PubMed

    Bémer, D; Callé, S; Godinot, S; Régnier, R; Dessagne, J M

    2000-12-01

    A measuring method of the emission rate of an atmospheric pollutant source, based on the use of a tracer gas (helium) and developed in the case of a gaseous source, was tested for an aerosol source. The influence of both particle sedimentation and wall depositions was studied. The transport coefficients of the tracer gas and of alumina particles of various particle sizes (MMAD from 8 to 36 microns) were measured on a vertical axis close to the source, in a 71 m3 room swept by a piston flow. The measurements clearly demonstrated the predominant influence of sedimentation in the case of particles with aerodynamic diameters greater than 10 microns. Particle wall deposition was determined by measuring the gas and particle concentration decay in the ventilated room. To do this, a new tracing method using a fluorescent aerosol was developed. The measured aerosol deposition rates are much higher than those calculated from the formula of Corner for a cubical volume. Aerosol sedimentation and wall deposition are two phenomena limiting the use of a tracer gas to measure the aerosol emission rate. The chemical substances and materials used in work premises are likely to be released into the atmosphere and lead to the formation of pollutants. These emissions stem from either physical or chemical processes (evaporation of a solvent) or from mechanical processes (dispersion of oil droplets at the source of mists).

  11. Rate coefficients for the OH + pinonaldehyde (C10H16O2) reaction between 297 and 374 K.

    PubMed

    Davis, Maxine E; Talukdar, Ranajit K; Notte, Gregory; Ellison, G Barney; Burkholder, James B

    2007-06-01

    The rate coefficientforthe reaction of OH with pinonaldehyde (C10H16O2, 3-acetyl-2,2-dimethyl-cyclobutyl-ethanal), a product of the atmospheric oxidation of alpha-pinene, was measured under pseudo-first-order conditions in OH at temperatures between 297 and 374 K at 55 and 96 Torr (He). Laser induced fluorescence (LIF) was used to monitor OH in the presence of pinonaldehyde following its production by 248 nm pulsed laser photolysis of H2O2. The reaction exhibits a negative temperature dependence with an Arrhenius expression of k1(T) = (4.5 +/- 1.3) x 10(-12) exp((600 +/- 100)/ 7) cm3 molecule(-1) s(-1); k1(297 K) = (3.46 +/- 0.4) x 10(-11) cm3 molecule(-1) s(-1). There was no observed dependence of the rate coefficient on pressure. Our results are compared with previous relative rate determinations of k1 near 297 K and the discrepancies are discussed. The state of knowledge for the atmospheric processing of pinonaldehyde is reviewed, and its role as a marker for alpha-pinene (monoterpene) chemistry in the atmosphere is discussed.

  12. Quantifying the rate of biofilm growth of S. meliloti strains in microfluidics via the diffusion coefficient of microspheres

    NASA Astrophysics Data System (ADS)

    Dorian, Matthew; Seitaridou, Effrosyni

    2014-03-01

    Understanding the rate of biofilm growth is essential for studying genes and preventing unwanted biofilms. In this study, the diffusion coefficient (D) of polystyrene microspheres was used to quantify biofilm growth rates of Sinorhizobia meliloti, a nitrogen fixing bacteria that forms a symbiotic relationship with alfalfa plants. Five strains were studied, two wild types (8530 expR+ and 1021) and three mutants in the exopolysaccharide (EPS I, EPS II) synthesis (8530 exoY , 9034 expG , and 9030-2 expA 1); 1021 and 9030-2 expA 1 are known to be unable to form biofilms. Each strain was inserted into a microfluidic channel with the microspheres. As the cultures grew, the spheres' D values were obtained every 24 hours for 4 days using fluorescence microscopy. Although the D values for 9030-2 expA 1 were inconclusive, 8530 expR+ , 8530 exoY , and 9034 expG showed significant decreases in D between 3 days of growth (| z | > 2 . 25 , p < 0 . 025). The data also indicated that 8530 expR+ and 8530 exoY grew at similar rates. There was no significant change in D for 1021 (χ2(2) = 5 . 76 , p > 0 . 05), which shows the lack of a structured biofilm community. Thus, D can be used as an indicator of the presence of a biofilm and its development.

  13. Absolute Determination for the Sodium-22(p,gamma)Magnesium-23 Reaction Rate: Consequences for Nucleosynthesis of Sodium-22 in Novae

    NASA Astrophysics Data System (ADS)

    Sallaska, Anne L.

    2010-11-01

    Hydrodynamic simulations of classical novae on ONe white dwarfs predict substantial production of 22Na. Observation of 22Na decay should be correlated with the corresponding nova because the half life of 22Na is only 2.6 years. The 1275-keV gamma ray from the beta decay of 22Na is, therefore, an excellent diagnostic for the nova phenomenon and a long-sought target of gamma-ray telescopes. Nova simulations determine the maximum 22Na-detection distance to be < 1 kpc for the INTEGRAL spectrometer SPI, consistent with its non-observation to date. However, model estimates are strongly dependent on the thermonuclear rate of the 22Na(p, gamma)23Mg reaction, which is the main destruction mechanism of 22Na in novae. The 22Na(p,gamma)23Mg rate is expected to be dominated by narrow, isolated resonances with Ep < 300 key. The currently employed rate is based on a single set of absolute resonance-strength measurements with Ep ≥ 290 keV, and one relative measurement of resonances with Ep ≥ 214 keV. Recently, a new level has been found in 23Mg which would correspond to a resonance at Ep = 198 keV that might dominate the reaction rate at nova temperatures. We have measured the 22Na(p, gamma) 23Mg resonance strengths directly and absolutely, in addition to resonance energies and branches. Proton beams were produced at the University of Washington and delivered to a specially designed beam line that included rastering and cold vacuum protection of the 22Na-implanted targets (fabricated at TRIUMF-ISAC). Two high-purity germanium detectors were employed and surrounded by anticoincidence shields to reduce cosmic backgrounds. Measurements were made on known 22Na+p resonances, which we observed at laboratory energies Ep = 213, 288, 454, 610 keV and on proposed resonances at Ep = 198, 209, and 232 key. The proposed resonances were not observed, and the upper limit placed on the 198-keV resonance strength indicates that the resonance at Ep = 213 keV still dominates the reaction rate

  14. Quasiclassical trajectory study of the N(4S)+NO(X2Π)→N2(X1Σ+ g)+O(3P) reaction rate coefficient

    NASA Astrophysics Data System (ADS)

    Duff, J. W.; Sharma, R. D.

    Rate coefficients for the N+NO→N2+O reaction are calculated over the temperature range 100-1000 K by a quasiclassical trajectory calculation on the ³A″ potential energy surface (PES) based on the semiempirical London-Eyring-Polanyi-Sato (LEPS) formalism, neglecting spin-orbit coupling. The calculated results are only slightly temperature dependent and are in excellent agreement with available experimental data and the JPL recommended rate coefficient [DeMore et al., 1994] at room temperature. The present results do not support either the rate coefficient arrived at by Siskind and Rusch [1992] from modeling of the terrestrial thermosphere or the one arrived at by Fox [1994] from modeling of the Martian thermosphere. Possible causes of the discrepancies between the calculated rate coefficients and those arrived at from modeling studies may be additional NO production (loss or loss and production) mechanisms in the Martian (terrestrial) thermosphere.

  15. Absolute intensities and foreign gas broadening coefficients of the 11(sub 1,10) from 11(sub 2,10) and 18(sub 0,18) from 18(sub 1,18) lines in the nu(sub 7) band of C2H4

    NASA Technical Reports Server (NTRS)

    Reuter, Dennis C.; Sirota, J. Marcos

    1993-01-01

    Absolute intensities and foreign gas broadening coefficients of the 18(sub 0,18) from 18(sub 1,18) and 11(sub 1,10) from 11(sub 2,10) transitions in the nu(sub 7) band of C2H4 near 948/cm have been measured at a spectral resolution of approximately 5 x 10(exp -4)/cm using tunable diode laser spectrometry. Ar, He, N2, O2 were used as the broadening gases. In order to determine the temperature dependence of the broadening coefficient, data were obtained at temperatures ranging from 150 to 296 K. The absolute intensity of the 5(sub 0,5) from 5(sub 1,5) transition was also found at 296 K. A band strength of 330 +/- 10/sq cm/atm was obtained from weighted averages of the individual line intensities and a rigid asymmetric top calculation.

  16. EFFECTS OF COVAPORS ON ADSORPTION RATE COEFFICIENTS OF ORGANIC VAPORS ADSORBED ONTO ACTIVATED CARBON FROM FLOWING AIR

    SciTech Connect

    G. WOOD

    2000-12-01

    Published breakthrough time, adsorption rate, and capacity data for components of organic vapor mixtures adsorbed from flows through fixed activated carbon beds have been analyzed. Capacities (as stoichiometric centers of constant pattern breakthrough curves) yielded stoichiometric times {tau}, which are useful for determining elution orders of mixture components. We also calculated adsorption rate coefficients k{sub v} of the Wheeler (or, more general Reaction Kinetic) breakthrough curve equation, when not reported, from breakthrough times and {tau}. Ninety-five k{sub v} (in mixture)/ k{sub v} (single vapor) ratios at similar vapor concentrations were calculated and averaged for elution order categories. For 43 first-eluting vapors the average ratio (1.07) was statistically no different (0.21 standard deviation) than unity, so that we recommend using the single-vapor k{sub v} for such. Forty-seven second-eluting vapor ratios averaged 0.85 (0.24 standard deviation), also not significantly different from unity; however, other evidence and considerations lead us recommend using k{sub v} (in mixture) = 0.85 k{sub v} (single vapor). Five third- and fourth-eluting vapors gave an average of 0.56 (0.16 standard deviation) for a recommended k{sub v} (in mixture) = 0.56 k{sub v} (single vapor) for such.

  17. Evaluation of the Factors that Control the Time-Dependent Inactivation Rate Coefficients of Bacteriophage MS2 and PRD1

    NASA Astrophysics Data System (ADS)

    Anders, R.; Chrysikopoulos, C. V.

    2004-12-01

    Batch experiments were conducted under both static and dynamic conditions to study the effects of temperature and the presence of sand on the inactivation process of viruses. The male--specific RNA coliphage, MS2, and the Salmonella typhimurium phage, PRD1, were used as model viruses for this study. Over 100 oven--baked borosilicate glass bottles with or without Monterey sand were filled with a low--ionic--strength phosphate buffered saline solution containing both bacteriophage and incubated at temperatures of 4o, 15o, or 25oC. The results of the batch experiments indicate that the inactivation process can be represented by a pseudo first-order expression with time--dependent rate coefficients. A combination of high temperature and the presence of sand appears to produce the greatest disruption to the surrounding protein coat of MS2. However, for PRD1, the lower activation energies derived from Arrhenius plots indicate a weaker dependence of the inactivation rate on temperature. Furthermore, the presence of an air--liquid--solid interface in the dynamic batch experiment containing sand produces the greatest damage to specific viral components of PRD1 that are required for infection. These results indicate the use of thermodynamic parameters based on the pseudo first--order inactivation expression allows better prediction of the inactivation of viruses in the environment.

  18. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    NASA Astrophysics Data System (ADS)

    Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; Ji, Wei

    2015-08-01

    Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Important swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. It is shown that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.

  19. Rate coefficients from quantum and quasi-classical cumulative reaction probabilities for the S(1D) + H2 reaction.

    PubMed

    Jambrina, P G; Lara, Manuel; Menéndez, M; Launay, J-M; Aoiz, F J

    2012-10-28

    Cumulative reaction probabilities (CRPs) at various total angular momenta have been calculated for the barrierless reaction S((1)D) + H(2) → SH + H at total energies up to 1.2 eV using three different theoretical approaches: time-independent quantum mechanics (QM), quasiclassical trajectories (QCT), and statistical quasiclassical trajectories (SQCT). The calculations have been carried out on the widely used potential energy surface (PES) by Ho et al. [J. Chem. Phys. 116, 4124 (2002)] as well as on the recent PES developed by Song et al. [J. Phys. Chem. A 113, 9213 (2009)]. The results show that the differences between these two PES are relatively minor and mostly related to the different topologies of the well. In addition, the agreement between the three theoretical methodologies is good, even for the highest total angular momenta and energies. In particular, the good accordance between the CRPs obtained with dynamical methods (QM and QCT) and the statistical model (SQCT) indicates that the reaction can be considered statistical in the whole range of energies in contrast with the findings for other prototypical barrierless reactions. In addition, total CRPs and rate coefficients in the range of 20-1000 K have been calculated using the QCT and SQCT methods and have been found somewhat smaller than the experimental total removal rates of S((1)D).

  20. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    DOE PAGES

    Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; ...

    2015-08-04

    Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Importantmore » swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.« less

  1. Determining Free-Radical Propagation Rate Coefficients with High-Frequency Lasers: Current Status and Future Perspectives.

    PubMed

    Kockler, Katrin B; Haehnel, Alexander P; Junkers, Thomas; Barner-Kowollik, Christopher

    2016-01-01

    Detailed knowledge of the polymerization mechanisms and kinetics of academically and industrially relevant monomers is mandatory for the precision synthesis of tailor-made polymers. The IUPAC-recommended pulsed-laser polymerization-size exclusion chromatography (PLP-SEC) approach is the method of choice for the determination of propagation rate coefficients and the associated Arrhenius parameters for free radical polymerization processes. With regard to specific monomer classes-such as acrylate-type monomers, which are very important from a materials point of view-high laser frequencies of up to 500 Hz are mandatory to prevent the formation of mid-chain radicals and the occurrence of chain-breaking events by chain transfer, if industrially relevant temperatures are to be reached and wide temperature ranges are to be explored (up to 70 °C). Herein the progress and state-of-the-art of high-frequency PLP-SEC with pulse repetition rates of 500 Hz is reported, with a critical collection of to-date investigated 500 Hz data as well as future perspectives for the field.

  2. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    SciTech Connect

    Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; Ji, Wei

    2015-08-04

    Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Important swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.

  3. The Dependence of Quenching Rate Coefficients for Singlet and Triplet States of n2 and o2 on Vibrational and Translational Temperatures

    NASA Astrophysics Data System (ADS)

    Kirillov, Andrey

    We apply Landau-Zener and Rosen-Zener approximations to obtain analytical formulas for the calculation of quenching rate coefficients of electronically excited states of N2 and O2. This method has allowed us to estimate contributions of intramolecular and intermolecular electron energy transfer processes in the quenching. Using a modified Treanor distribution on vibrational levels for in ground state molecules we have investigated an influence of the vibrational excitation on the rate coefficients. Special attention is paid to energy transfer processes related with the afterglow in laboratory discharges. It is found that there is the influence of vibrational temperature on the coefficients. A dependence of the rate coefficients on translational temperature is studied for few states of N2 and O2. It is shown that for some states there is good agreement of results of theoretical calculations with available experimental data.

  4. OH Radical Reaction Rate Coefficients, Infrared Spectrum, and Global Warming Potential of (CF3)2CFCH═CHF (HFO-1438ezy(E)).

    PubMed

    Papadimitriou, Vassileios C; Burkholder, James B

    2016-08-25

    Rate coefficients, k(T), for the OH radical + (E)-(CF3)2CFCH═CHF ((E)-1,3,4,4,4-pentafluoro-3-(trifluoromethyl)-1-butene, HFO-1438ezy(E)) gas-phase reaction were measured using pulsed laser photolysis-laser-induced fluorescence (PLP-LIF) between 214 and 380 K and 50 and 450 Torr (He or N2 bath gas) and with a relative rate method at 296 K between 100 and 400 Torr (synthetic air). Over the range of pressures included in this study, no pressure dependence in k(T) was observed. k(296 K) obtained using the two techniques agreed to within ∼3% with (3.26 ± 0.26) × 10(-13) cm(3) molecule(-1) s(-1) (2σ absolute uncertainty) obtained using the PLP-LIF technique. k(T) displayed non-Arrhenius behavior that is reproduced by (7.34 ± 0.30) × 10(-19)T(2) exp[(481 ± 10)/T) cm(3) molecule(-1) s(-1). With respect to OH reactive loss, the atmospheric lifetime of HFO-1438ezy(E) is estimated to be ∼36 days and HFO-1438ezy(E) is considered a very short-lived substance (VSLS) (the actual lifetime will depend on the time and location of the HFO-1438ezy(E) emission). On the basis of the HFO-1438ezy(E) infrared absorption spectrum measured in this work and its estimated lifetime, a radiative efficiency of 0.306 W m(-2) ppb(-1) (well-mixed gas) was calculated and its 100-year time-horizon global warming potential, GWP100, was estimated to be 8.6. CF3CFO, HC(O)F, and CF2O were identified using infrared spectroscopy as stable end products in the oxidation of HFO-1438ezy(E) in the presence of O2. Two additional fluorinated products were observed and theoretical calculations of the infrared spectra of likely degradation products are presented. The photochemical ozone creation potential of HFO-1438ezy(E) was estimated to be ∼2.15.

  5. Reaction rate coefficients of OH radicals and Cl atoms with ethyl propanoate, n-propyl propanoate, methyl 2-methylpropanoate, and ethyl n-butanoate.

    PubMed

    Cometto, Pablo M; Daële, Véronique; Idir, Mahmoud; Lane, Silvia I; Mellouki, Abdelwahid

    2009-10-08

    Kinetics of the reactions of OH radicals and Cl atoms with four saturated esters have been investigated. Rate coefficients for the gas-phase reactions of OH radicals with ethyl propanoate (k(1)), n-propyl propanoate (k(2)), methyl 2-methylpropanoate (k(3)), and ethyl n-butanoate (k(4)) were measured using a conventional relative rate method and the pulsed laser photolysis-laser induced fluorescence technique. At (296 +/- 2) K, the rate coefficients obtained by the two methods were in good agreement. Significant curvatures in the Arrhenius plots have been observed in the temperature range 243-372 K for k(1), k(3), and k(4). The rate coefficients for the reactions of the four esters with Cl atoms were determined using the relative rate method at (296 +/- 2) K and atmospheric pressure. The values obtained are presented, compared with the literature values when they exist, and discussed. Reactivity trends and atmospheric implications for these esters are also presented.

  6. C02(nu2)-0 Quenching Rate Coefficient Derived from Coincidental Fort Collins Lidar and SABER Measurements

    NASA Technical Reports Server (NTRS)

    Feofilov, A. G.; Kutepov, A. A.; She, C. Y.; Smith, A. K.; Pesnell, W. D.; Goldberg, R. A.

    2009-01-01

    Among the processes governing the energy balance in the mesosphere and lower thermosphere (MLT), the quenching of CO2(V2) vibrational levels in collisions with oxygen atoms plays an important role. However, neither the rate coefficient of this process (k(CO2O)) nor the atomic oxygen concentrations ([O]) in the MLT are well known. The discrepancy between k(CO2O) measured in the lab and retrieved from atmospheric measurements is of about factor of 2.5. At the same time, the discrepancy between [O] in the MLT measured by different instruments is of the same order of magnitude. In this work we used a synergy of a ground based lidar and satellite infrared radiometer to make a further step in understanding of the physics of the region. In this study we apply the night- and daytime temperatures between 80 and 110 km measured by the Colorado State University narrow-band sodium (Na) lidar located at Fort Collins, Colorado for retrieving the product of k(CO2-O) x [O] from the limb radiances in the 15 micron channel measured by the SABER/TIMED instrument for nearly simultaneous common volume measurements of both instruments within +/-1 degree in latitude, +/-2 degrees in longitude and +/-10 minutes in time. We derive k(CO2-O) and its possible variation range from the retrieved product by utilizing the [O] values measured by the SABER and other instruments.

  7. Statistical-theoretical investigation of the thermal rate coefficient and branching ratio for the reaction O + HCN. -->. products

    SciTech Connect

    Miller, J.A.; Parrish, C.; Brown, N.J.

    1986-07-17

    Using the BAC-MP4 potential surface parameters of Melius and Binkley, we have predicted the thermal rate coefficients for the two reactions: O + HCN ..-->.. NCO + H (a) and O + HCN ..-->.. NH + CO (b). Several levels of approximation are used in the theoretical treatment: a, canonical theory; b, canonical theory with Wigner tunneling correction; c, microcanonical theory (energy conserving); d, microcanonical/J-conservative theory (conserves both energy and angular momentum); e, microcanonical/J-conservative theory with one-dimensional tunneling. At high temperature the available experimental results are predicted accurately by even the crudest theoretical treatment (canonical theory). At lower temperature the theoretical predictions using the basic BAC-MP4 parameters are too low. However, adjustments to the BAC-MP4 energy barriers within their stated error limits lead to satisfactory agreement with experiment over the entire temperature range where experimental results are available (500 to 2500 K). The most important results of the investigation concern the dependence of the predictions on the level of approximation. Each successive refinement in the theory produces larger values of k/sub b/. The details of the theoretical treatment and comparisons with experiment are described in detail.

  8. Teaching Absolute Value Meaningfully

    ERIC Educational Resources Information Center

    Wade, Angela

    2012-01-01

    What is the meaning of absolute value? And why do teachers teach students how to solve absolute value equations? Absolute value is a concept introduced in first-year algebra and then reinforced in later courses. Various authors have suggested instructional methods for teaching absolute value to high school students (Wei 2005; Stallings-Roberts…

  9. Mouse organ coefficient and abnormal sperm rate analysis with exposure to tap water and source water in Nanjing reach of Yangtze River.

    PubMed

    Zhang, Rongfei; Zhang, Liujun; Jiang, Dongsheng; Zheng, Kai; Cui, Yibin; Li, Mei; Wu, Bing; Cheng, Shupei

    2014-05-01

    Organ coefficients (including kidney, testis, liver and spleen coefficient) and abnormal sperm rate were used in our study to reflect the exposure to the Yangzte River water. The concentrations of total dissolved metals and semi-volatile organic compounds in tap and source water were measured by ICP-OES and GC-MS, respectively. After mice were fed with purified water (CK), Nanjing tap water (NJT) and Nanjing source water (NJS) for 90 day, the individual and organs (including kidney, testis, liver and spleen) of each mouse were weighted. And abnormal sperm types (such as hook less, banana-like form, amorphous, folded and two tails) were determined by microscope. The results showed that significant differences of liver coefficient between experimental group (NJT, NJS) and control group (CK) were observed; furthermore liver coefficient is positive correlation with the concentrations of total dissolved metals. However, no significant differences of abnormal sperm rates between experimental group (NJT, NJS) and control group (CK) were noted. So liver coefficient might be more sensitive than other organ coefficients to reflect the exposure to tap water and source water, while abnormal sperm rate could not be used to reveal the exposure to them.

  10. Rotational excitation of AlCl induced by its collision with helium: cross sections and collisional rate coefficients

    NASA Astrophysics Data System (ADS)

    Pamboundom, Mama; Tchakoua, Théophile; Nsangou, Mama

    2016-04-01

    In this work, inelastic rotational collision of AlCl with helium was studied. The CCSD(T) method was used for the computation of an accurate two dimensional potential energy surface (PES). In the calculation of the PES, Al-Cl bond was frozen at the experimental value 4.02678 a0. The aug-cc-pVQZ basis sets of Dunning was used throughout the computational process. This basis was completed with a set of 3s3p2d2f1g bond functions placed at mid-distance between the center of mass of AlCl and He atom for a better description of the van der Waals interaction energy. The PES of AlCl-He was found to have a global minimum at (R=8.65 a0, θ=0 degree), a local minimum at (R=7.45 a0, θ=82 degree) and a saddle point at (R=7.9 a0, θ=56 degree). The depths of the minima were 20.2 cm^{-1} and 19.8 cm^{-1} respectively for θ=0 and 84 degrees. The height of the saddle point with respect to the global minimum was 1.3 cm^{-1}. The PES, the result of an analytical fit, was expanded in terms of Legendre polynomials, then used for the evaluation of state-to-state rotational integral cross sections for the collision of AlCl with He in the close coupling approach. The collisional cross sections for the transitions occurring among the 17 first rotational levels of AlCl were calculated for kinetic energies up to 4000 cm^{-1}. Collisional rate coefficients between these rotational levels were computed for low and moderate kinetic temperatures ranging from 30 to 500 K. A propensity rule that favors odd Δ j transitions was found.

  11. Validation of absolute axial neutron flux distribution calculations with MCNP with 197Au(n,γ)198Au reaction rate distribution measurements at the JSI TRIGA Mark II reactor.

    PubMed

    Radulović, Vladimir; Štancar, Žiga; Snoj, Luka; Trkov, Andrej

    2014-02-01

    The calculation of axial neutron flux distributions with the MCNP code at the JSI TRIGA Mark II reactor has been validated with experimental measurements of the (197)Au(n,γ)(198)Au reaction rate. The calculated absolute reaction rate values, scaled according to the reactor power and corrected for the flux redistribution effect, are in good agreement with the experimental results. The effect of different cross-section libraries on the calculations has been investigated and shown to be minor.

  12. Direct measurement and theoretical calculation of the rate coefficient for Cl+CH3 in the range from T=202-298 K.

    PubMed

    Parker, James K; Payne, Walter A; Cody, Regina J; Nesbitt, Fred L; Stief, Louis J; Klippenstein, Stephen J; Harding, Lawrence B

    2007-02-15

    The rate coefficient has been measured under pseudo-first-order conditions for the Cl+CH3 association reaction at T=202, 250, and 298 K and P=0.3-2.0 Torr helium using the technique of discharge-flow mass spectrometry with low-energy (12-eV) electron-impact ionization and collision-free sampling. Cl and CH3 were generated rapidly and simultaneously by reaction of F with HCl and CH4, respectively. Fluorine atoms were produced by microwave discharge in an approximately 1% mixture of F2 in He. The decay of CH3 was monitored under pseudo-first-order conditions with the Cl-atom concentration in large excess over the CH3 concentration ([Cl]0/[CH3]0=9-67). Small corrections were made for both axial and radial diffusion and minor secondary chemistry. The rate coefficient was found to be in the falloff regime over the range of pressures studied. For example, at T=202 K, the rate coefficient increases from 8.4x10(-12) at P=0.30 Torr He to 1.8x10(-11) at P=2.00 Torr He, both in units of cm3 molecule-1 s-1. A combination of ab initio quantum chemistry, variational transition-state theory, and master-equation simulations was employed in developing a theoretical model for the temperature and pressure dependence of the rate coefficient. Reasonable empirical representations of energy transfer and of the effect of spin-orbit interactions yield a temperature- and pressure-dependent rate coefficient that is in excellent agreement with the present experimental results. The high-pressure limiting rate coefficient from the RRKM calculations is k2=6.0x10(-11) cm3 molecule-1 s-1, independent of temperature in the range from 200 to 300 K.

  13. The effect of N2/+/ recombination on the aeronomic determination of the charge exchange rate coefficient of O/+//2D/ with N2

    NASA Technical Reports Server (NTRS)

    Torr, D. G.; Orsini, N.

    1978-01-01

    The Atmosphere Explorer (AE) data are reexamined in the light of new laboratory measurements of the N2(+) recombination rate coefficient alpha. The new measurements support earlier measurements which yielded values of alpha significantly lower than the AE values. It is found that the values for alpha determined from the satellite data can be reconciled with the laboratory measurements, if the charge exchange rate coefficient for O(+)(2D) with N2 is less than one-quarter of that derived in the laboratory by Rutherford and Vroom (1971).

  14. Global Uncertainty Propagation and Sensitivity Analysis in the CH3OCH2 + O2 System: Combining Experiment and Theory To Constrain Key Rate Coefficients in DME Combustion.

    PubMed

    Shannon, R J; Tomlin, A S; Robertson, S H; Blitz, M A; Pilling, M J; Seakins, P W

    2015-07-16

    Statistical rate theory calculations, in particular formulations of the chemical master equation, are widely used to calculate rate coefficients of interest in combustion environments as a function of temperature and pressure. However, despite the increasing accuracy of electronic structure calculations, small uncertainties in the input parameters for these master equation models can lead to relatively large uncertainties in the calculated rate coefficients. Master equation input parameters may be constrained further by using experimental data and the relationship between experiment and theory warrants further investigation. In this work, the CH3OCH2 + O2 system, of relevance to the combustion of dimethyl ether (DME), is used as an example and the input parameters for master equation calculations on this system are refined through fitting to experimental data. Complementing these fitting calculations, global sensitivity analysis is used to explore which input parameters are constrained by which experimental conditions, and which parameters need to be further constrained to accurately predict key elementary rate coefficients. Finally, uncertainties in the calculated rate coefficients are obtained using both correlated and uncorrelated distributions of input parameters.

  15. Application of the shock layer theory to the determination of the mass transfer rate coefficient and its concentration dependence for proteins on anion exchange columns

    SciTech Connect

    Sajonz, P. ||; Guan-Sajonz, H.; Zhong, G.; Guiochon, G. |

    1997-03-01

    The extension of the shock layer theory to systems having a slow mass transfer kinetics and a concentration-dependent rate coefficient is discussed. Experiments were carried out with bovine serum albumin on two anion exchanges, TSK-GEL-DEAE-5PW and Resource-Q. The adsorption isotherm data, determined by single-step frontal analysis, could be fitted to simplified bi-Langmuir equations with vary small residuals. A lumped kinetic model (solid film linear driving force model, with rate coefficient k{sub f}) was used to account for the mass transfer kinetics. The profile of each breakthrough curve (BC) was fitted to the curve calculated with this transport model and the rate coefficient k{sub f} obtained by identification. A linear dependence of k{sub f} on the average concentration of the step of the BC was found. The shock layer thicknesses (SLT) calculated for different relative concentrations agreed very well with the experimental results. This justifies the use of the SLT for the direct determination of rate coefficients. 19 refs., 9 figs., 2 tabs.

  16. Artificial Neural Networks-Based Software for Measuring Heat Collection Rate and Heat Loss Coefficient of Water-in-Glass Evacuated Tube Solar Water Heaters.

    PubMed

    Liu, Zhijian; Liu, Kejun; Li, Hao; Zhang, Xinyu; Jin, Guangya; Cheng, Kewei

    2015-01-01

    Measurements of heat collection rate and heat loss coefficient are crucial for the evaluation of in service water-in-glass evacuated tube solar water heaters. However, conventional measurement requires expensive detection devices and undergoes a series of complicated procedures. To simplify the measurement and reduce the cost, software based on artificial neural networks for measuring heat collection rate and heat loss coefficient of water-in-glass evacuated tube solar water heaters was developed. Using multilayer feed-forward neural networks with back-propagation algorithm, we developed and tested our program on the basis of 915 measured samples of water-in-glass evacuated tube solar water heaters. This artificial neural networks-based software program automatically obtained accurate heat collection rate and heat loss coefficient using simply "portable test instruments" acquired parameters, including tube length, number of tubes, tube center distance, heat water mass in tank, collector area, angle between tubes and ground and final temperature. Our results show that this software (on both personal computer and Android platforms) is efficient and convenient to predict the heat collection rate and heat loss coefficient due to it slow root mean square errors in prediction. The software now can be downloaded from http://t.cn/RLPKF08.

  17. Kilohertz Pulsed-Laser-Polymerization: Simultaneous Determination of Backbiting, Secondary, and Tertiary Radical Propagation Rate Coefficients for tert-Butyl Acrylate.

    PubMed

    Wenn, Benjamin; Junkers, Thomas

    2016-05-01

    For the first time, a 1000 Hz pulse laser has been applied to determine detailed kinetic rate coefficients from pulsed laser polymerization-size exclusion chromatography experiments. For the monomer tert-butyl acrylate, apparent propagation rate coefficients kp (app) have been determined in the temperature range of 0-80 °C. kp (app) in the range of few hundreds to close to 50 000 L·mol(-1) ·s(-1) are determined for low and high pulse frequencies, respectively. The apparent propagation coefficients show a distinct pulse-frequency dependency, which follows an S-shape curve. From these curves, rate coefficients for secondary radial propagation (kp (SPR) ), backbiting (kbb ), midchain radical propagation (kp (tert) ), and the (residual) effective propagation rate (kp (eff) ) can be deduced via a herein proposed simple Predici fitting procedure. For kp (SPR) , the activation energy is determined to be (17.9 ± 0.6) kJ·mol(-1) in excellent agreement with literature data. For kbb , an activation energy of (25.9 ± 2.2) kJ·mol(-1) is deduced.

  18. The Impact of Outliers on Cronbach's Coefficient Alpha Estimate of Reliability: Ordinal/Rating Scale Item Responses

    ERIC Educational Resources Information Center

    Liu, Yan; Wu, Amery D.; Zumbo, Bruno D.

    2010-01-01

    In a recent Monte Carlo simulation study, Liu and Zumbo showed that outliers can severely inflate the estimates of Cronbach's coefficient alpha for continuous item response data--visual analogue response format. Little, however, is known about the effect of outliers for ordinal item response data--also commonly referred to as Likert, Likert-type,…

  19. CF3CF=CH2 and (Z)-CF3CF=CHF: temperature dependent OH rate coefficients and global warming potentials.

    PubMed

    Papadimitriou, Vassileios C; Talukdar, Ranajit K; Portmann, R W; Ravishankara, A R; Burkholder, James B

    2008-02-14

    Rate coefficients over the temperature range 206-380 K are reported for the gas-phase reaction of OH radicals with 2,3,3,3-tetrafluoropropene (CF(3)CF=CH(2)), k(1)(T), and 1,2,3,3,3-pentafluoropropene ((Z)-CF(3)CF=CHF), k(2)(T), which are major components in proposed substitutes for HFC-134a (CF(3)CFH(2)) in mobile air-conditioning units. Rate coefficients were measured under pseudo-first-order conditions in OH using pulsed-laser photolysis to produce OH and laser-induced fluorescence to detect it. Rate coefficients were found to be independent of pressure between 25 and 600 Torr (He, N(2)). For CF(3)CF=CH(2), the rate coefficients, within the measurement uncertainty, are given by the Arrhenius expression k(1)(T)=(1.26+/-0.11) x 10(-12) exp[(-35+/-10)/T] cm(3) molecule(-1) s(-1) where k(1)(296 K)=(1.12+/-0.09) x 10(-12) cm(3) molecule(-1) s(-1). For (Z)-CF(3)CF=CHF, the rate coefficients are given by the non-Arrhenius expression k(2)(T)=(1.6+/-0.2) x 10(-18)T(2) exp[(655+/-50)/T] cm(3) molecule(-1) s(-1) where k(2)(296 K)=(1.29+/-0.06) x 10(-12) cm(3) molecule(-1) s(-1). Over the temperature range most relevant to the atmosphere, 200-300 K, the Arrhenius expression k(2)(T)=(7.30+/-0.7) x 10(-13) exp[(165+/-20)/T] cm(3) molecule(-1) s(-1) reproduces the measured rate coefficients very well and can be used in atmospheric model calculations. The quoted uncertainties in the rate coefficients are 2sigma (95% confidence interval) and include estimated systematic errors. The global warming potentials for CF(3)CF=CH(2) and (Z)-CF(3)CF=CHF were calculated to be <4.4 and <3.6, respectively, for the 100 year time horizon using infrared absorption cross sections measured in this work, and atmospheric lifetimes of 12 and 10 days that are based solely on OH reactive loss.

  20. Absolutely classical spin states

    NASA Astrophysics Data System (ADS)

    Bohnet-Waldraff, F.; Giraud, O.; Braun, D.

    2017-01-01

    We introduce the concept of "absolutely classical" spin states, in analogy to absolutely separable states of bipartite quantum systems. Absolutely classical states are states that remain classical (i.e., a convex sum of projectors on coherent states of a spin j ) under any unitary transformation applied to them. We investigate the maximal size of the ball of absolutely classical states centered on the maximally mixed state and derive a lower bound for its radius as a function of the total spin quantum number. We also obtain a numerical estimate of this maximal radius and compare it to the case of absolutely separable states.

  1. Low temperature rate coefficients of the H + CH+ → C+ + H2 reaction: New potential energy surface and time-independent quantum scattering

    NASA Astrophysics Data System (ADS)

    Werfelli, Ghofran; Halvick, Philippe; Honvault, Pascal; Kerkeni, Boutheïna; Stoecklin, Thierry

    2015-09-01

    The observed abundances of the methylidyne cation, CH+, in diffuse molecular clouds can be two orders of magnitude higher than the prediction of the standard gas-phase models which, in turn, predict rather well the abundances of neutral CH. It is therefore necessary to investigate all the possible formation and destruction processes of CH+ in the interstellar medium with the most abundant species H, H2, and e-. In this work, we address the destruction process of CH+ by hydrogen abstraction. We report a new calculation of the low temperature rate coefficients for the abstraction reaction, using accurate time-independent quantum scattering and a new high-level ab initio global potential energy surface including a realistic model of the long-range interaction between the reactants H and CH+. The calculated thermal rate coefficient is in good agreement with the experimental data in the range 50 K-800 K. However, at lower temperatures, the experimental rate coefficient takes exceedingly small values which are not reproduced by the calculated rate coefficient. Instead, the latter rate coefficient is close to the one given by the Langevin capture model, as expected for a reaction involving an ion and a neutral species. Several recent theoretical works have reported a seemingly good agreement with the experiment below 50 K, but an analysis of these works show that they are based on potential energy surfaces with incorrect long-range behavior. The experimental results were explained by a loss of reactivity of the lowest rotational states of the reactant; however, the quantum scattering calculations show the opposite, namely, a reactivity enhancement with rotational excitation.

  2. Artificial Neural Networks-Based Software for Measuring Heat Collection Rate and Heat Loss Coefficient of Water-in-Glass Evacuated Tube Solar Water Heaters

    PubMed Central

    Liu, Zhijian; Liu, Kejun; Li, Hao; Zhang, Xinyu; Jin, Guangya; Cheng, Kewei

    2015-01-01

    Measurements of heat collection rate and heat loss coefficient are crucial for the evaluation of in service water-in-glass evacuated tube solar water heaters. However, conventional measurement requires expensive detection devices and undergoes a series of complicated procedures. To simplify the measurement and reduce the cost, software based on artificial neural networks for measuring heat collection rate and heat loss coefficient of water-in-glass evacuated tube solar water heaters was developed. Using multilayer feed-forward neural networks with back-propagation algorithm, we developed and tested our program on the basis of 915measuredsamples of water-in-glass evacuated tube solar water heaters. This artificial neural networks-based software program automatically obtained accurate heat collection rateand heat loss coefficient using simply "portable test instruments" acquired parameters, including tube length, number of tubes, tube center distance, heat water mass in tank, collector area, angle between tubes and ground and final temperature. Our results show that this software (on both personal computer and Android platforms) is efficient and convenient to predict the heat collection rate and heat loss coefficient due to it slow root mean square errors in prediction. The software now can be downloaded from http://t.cn/RLPKF08. PMID:26624613

  3. Low temperature diffusion coefficients in the Fe-Ni and FeNiP systems: Application to meteorite cooling rates

    NASA Technical Reports Server (NTRS)

    Dean, D. C.; Goldstein, J. I.

    1984-01-01

    The interdiffusion coefficient of FeNi in fcc taenite (gamma) of Fe-Ni and Fe-Ni-0.2 P alloys was measured as a function of temperature between 600 and 900 C. This temperature range is directly applicable to the nucleation and growth of the Widmanstatten pattern in iron meteorites and metal regions of stony and stony-iron meteorites. Diffusion couples were made from FeNi or FeNiP alloys which ensured that the couples were in the taenite phase at the diffusion temperature. The presence or absence of grain boundary diffusion was determined by measuring the Ni profile normal to the existing grain boundaries with the AEM. Ignoring any variation of interdiffusion coefficient with composition, the measured data was plotted versus the reciprocal of the diffusion temperature. The FeNi data generally follow the extrapolated Goldstein, et al. (1965) data from high temperatures. The FeNiP data indicates that small additions of P (0.2 wt%) cause a 3 to 10 fold increase in the FeNi interdifussion coefficient increasing with decreasing temperature. This increase is about the same as that predicted by Narayan and Goldstein (1983) at the Widmanstatten growth temperature.

  4. Reaction Rate Coefficients of OH Radicals and Cl Atoms with Ethyl Propanoate, n-Propyl Propanoate, Methyl 2-Methylpropanoate, and Ethyl n-Butanoate

    NASA Astrophysics Data System (ADS)

    Cometto, Pablo M.; Daële, Véronique; Idir, Mahmoud; Lane, Silvia I.; Mellouki, Abdelwahid

    2009-09-01

    Kinetics of the reactions of OH radicals and Cl atoms with four saturated esters have been investigated. Rate coefficients for the gas-phase reactions of OH radicals with ethyl propanoate (k1), n-propyl propanoate (k2), methyl 2-methylpropanoate (k3), and ethyl n-butanoate (k4) were measured using a conventional relative rate method and the pulsed laser photolysis-laser induced fluorescence technique. At (296 ± 2) K, the rate coefficients obtained by the two methods were in good agreement. Significant curvatures in the Arrhenius plots have been observed in the temperature range 243-372 K for k1, k3, and k4. The rate coefficients for the reactions of the four esters with Cl atoms were determined using the relative rate method at (296 ± 2) K and atmospheric pressure. The values obtained are presented, compared with the literature values when they exist, and discussed. Reactivity trends and atmospheric implications for these esters are also presented.

  5. Understanding supported reactions in spherical compartments: a general algorithm to model and determine rate constants, diffusion coefficients, and spatial product distributions.

    PubMed

    Egelhaaf, Hans-Joachim; Rademann, Jörg

    2005-01-01

    A general algorithm allowing the numerical modeling of the time and space dependence of product formation in spherical reaction volumes is described. The algorithm is described by the complete set of mass balance equations. On the basis of these equations, the effects of the diffusion coefficient, reaction rate, bead size, reagent excess, and packing density of the resin beads on the overall reaction rates are determined for second-order reactions. Experimental data of reaction progress are employed to calculate reaction rates and diffusion coefficients in polymer-supported reactions. In addition, the conditions for shell-like product formation are determined, and various strategies for the radial patterning of resin beads are compared. The effect of diffusion on polymer-supported enzyme-catalyzed reactions of the Michaelis-Menten type is treated, as well. Finally, the effects of typical nonideal solid-phase phenomena, namely, the inhomogeneity of rate constants and the concentration dependence of diffusion coefficients, on overall rates are discussed.

  6. UNBIASED MOMENT-RATE SPECTRA AND ABSOLUTE SITE EFFECTS IN THE KACHCHH BASIN, INDIA, FROM THE ANALYSIS OF THE AFTERSHOCKS OF THE 2001 Mw 7.6 BHUJ EARTHQUAKE

    SciTech Connect

    Malagnini, L; Bodin, P; Mayeda, K; Akinci, A

    2005-05-04

    What can be learned about absolute site effects on ground motions and about earthquake source spectra from recordings at temporary seismic stations, none of which could be considered a 'reference' (hard rock) site, for which no geotechnical information is available, in a very poorly instrumented region? This challenge motivated our current study of aftershocks of the 2001 Mw 7.6 Bhuj earthquake, in Western India. Crustal attenuation and spreading relationships based on the same data used here were determined in an earlier study. In this paper we decouple the ambiguity between absolute source radiation and site effects by first computing robust estimates of moment-rate spectra of about 200 aftershocks in each of two depth ranges. Using these new estimates of sourcespectra, and our understanding of regional wave propagation, we extract the absolute site terms of the sites of the temporary deployment. Absolute site terms (one for each component of the ground motion, for each station) are computed in an average sense, via an L{sub 1}-norm minimization, and results for each site are averaged over wide ranges of azimuths and takeoff angles. The Bhuj deployment is characterized by a variable shallow geology, mostly of soft sedimentary units. Vertical site terms in the region were observed to be almost featureless and slightly < 1.0 within wide frequency ranges. As a result, H/V spectral ratios mimic the absolute behaviors of absolute horizontal site terms, and they generally overpredict them. On the contrary, with respect to the results for sedimentary rock sites (limestone, dolomite) obtained by Malagnini et al. (2004), H/V spectral ratios in their study did not have much in common with absolute horizontal site terms. Spectral ratios between the vector sum of the computed horizontal site terms for the temporary deployment with respect to the same quantity computed at the hardest rock station available, BAC1, are seriously biased by its non-flat, non-unitary site response

  7. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K [Pleasanton, CA; Snyderman, Neal J [Berkeley, CA; Rowland, Mark S [Alamo, CA

    2012-05-15

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  8. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K.; Snyderman, Neal J.; Rowland, Mark S.

    2010-07-13

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  9. Communication: Rigorous quantum dynamics of O + O{sub 2} exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients

    SciTech Connect

    Li, Yaqin; Sun, Zhigang E-mail: dawesr@mst.edu; Jiang, Bin; Guo, Hua E-mail: dawesr@mst.edu; Xie, Daiqian; Dawes, Richard E-mail: dawesr@mst.edu

    2014-08-28

    The kinetics and dynamics of several O + O{sub 2} isotope exchange reactions have been investigated on a recently determined accurate global O{sub 3} potential energy surface using a time-dependent wave packet method. The agreement between calculated and measured rate coefficients is significantly improved over previous work. More importantly, the experimentally observed negative temperature dependence of the rate coefficients is for the first time rigorously reproduced theoretically. This negative temperature dependence can be attributed to the absence in the new potential energy surface of a submerged “reef” structure, which was present in all previous potential energy surfaces. In addition, contributions of rotational excited states of the diatomic reactant further accentuate the negative temperature dependence.

  10. Communication: Rigorous quantum dynamics of O + O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients.

    PubMed

    Li, Yaqin; Sun, Zhigang; Jiang, Bin; Xie, Daiqian; Dawes, Richard; Guo, Hua

    2014-08-28

    The kinetics and dynamics of several O + O2 isotope exchange reactions have been investigated on a recently determined accurate global O3 potential energy surface using a time-dependent wave packet method. The agreement between calculated and measured rate coefficients is significantly improved over previous work. More importantly, the experimentally observed negative temperature dependence of the rate coefficients is for the first time rigorously reproduced theoretically. This negative temperature dependence can be attributed to the absence in the new potential energy surface of a submerged "reef" structure, which was present in all previous potential energy surfaces. In addition, contributions of rotational excited states of the diatomic reactant further accentuate the negative temperature dependence.

  11. Rate coefficients of C(1) and C(2) Criegee intermediate reactions with formic and acetic Acid near the collision limit: direct kinetics measurements and atmospheric implications.

    PubMed

    Welz, Oliver; Eskola, Arkke J; Sheps, Leonid; Rotavera, Brandon; Savee, John D; Scheer, Adam M; Osborn, David L; Lowe, Douglas; Murray Booth, A; Xiao, Ping; Anwar H Khan, M; Percival, Carl J; Shallcross, Dudley E; Taatjes, Craig A

    2014-04-25

    Rate coefficients are directly determined for the reactions of the Criegee intermediates (CI) CH2 OO and CH3 CHOO with the two simplest carboxylic acids, formic acid (HCOOH) and acetic acid (CH3 COOH), employing two complementary techniques: multiplexed photoionization mass spectrometry and cavity-enhanced broadband ultraviolet absorption spectroscopy. The measured rate coefficients are in excess of 1×10(-10)  cm(3)  s(-1) , several orders of magnitude larger than those suggested from many previous alkene ozonolysis experiments and assumed in atmospheric modeling studies. These results suggest that the reaction with carboxylic acids is a substantially more important loss process for CIs than is presently assumed. Implementing these rate coefficients in global atmospheric models shows that reactions between CI and organic acids make a substantial contribution to removal of these acids in terrestrial equatorial areas and in other regions where high CI concentrations occur such as high northern latitudes, and implies that sources of acids in these areas are larger than previously recognized.

  12. Rate Coefficients of C1 and C2 Criegee Intermediate Reactions with Formic and Acetic Acid Near the Collision Limit: Direct Kinetics Measurements and Atmospheric Implications**

    PubMed Central

    Welz, Oliver; Eskola, Arkke J; Sheps, Leonid; Rotavera, Brandon; Savee, John D; Scheer, Adam M; Osborn, David L; Lowe, Douglas; Murray Booth, A; Xiao, Ping; Anwar H Khan, M; Percival, Carl J; Shallcross, Dudley E; Taatjes, Craig A

    2014-01-01

    Rate coefficients are directly determined for the reactions of the Criegee intermediates (CI) CH2OO and CH3CHOO with the two simplest carboxylic acids, formic acid (HCOOH) and acetic acid (CH3COOH), employing two complementary techniques: multiplexed photoionization mass spectrometry and cavity-enhanced broadband ultraviolet absorption spectroscopy. The measured rate coefficients are in excess of 1×10−10 cm3 s−1, several orders of magnitude larger than those suggested from many previous alkene ozonolysis experiments and assumed in atmospheric modeling studies. These results suggest that the reaction with carboxylic acids is a substantially more important loss process for CIs than is presently assumed. Implementing these rate coefficients in global atmospheric models shows that reactions between CI and organic acids make a substantial contribution to removal of these acids in terrestrial equatorial areas and in other regions where high CI concentrations occur such as high northern latitudes, and implies that sources of acids in these areas are larger than previously recognized. PMID:24668781

  13. Electron attachment to sulfur oxyhalides: SOF2, SOCl2, SO2F2, SO2Cl2, and SO2FCl attachment rate coefficients, 300-900 K.

    PubMed

    Miller, Thomas M; Friedman, Jeffrey F; Caples, Connor M; Shuman, Nicholas S; Van Doren, Jane M; Bardaro, Michael F; Nguyen, Pho; Zweiben, Cindy; Campbell, Matthew J; Viggiano, A A

    2010-06-07

    Electron attachment to SOF(2), SOCl(2), SO(2)F(2), SO(2)FCl, and SO(2)Cl(2) was studied with two flowing-afterglow Langmuir-probe apparatuses over the temperature range 300-900 K. Attachment rate coefficients at 300 K are k(a) = 2.6+/-0.8x10(-10)(SOF(2)), 1.8+/-0.5x10(-8)(SOCl(2)), 4.8+/-0.7x10(-10)(SO(2)F(2)), 2.4+/-0.7x10(-9)(SO(2)Cl(2)), and 2.0+/-0.6x10(-7) cm(3) s(-1)(SO(2)FCl). Arrhenius plots of the data imply activation energies of 56+/-22 meV(SOF(2)), 92+/-40(SO(2)F(2)), 44+/-22 meV(SOCl(2)), and 29+/-15 meV(SO(2)Cl(2)). The rate coefficients for SO(2)FCl decrease slightly with temperature, commensurate with the decrease in the capture rate coefficient. Electron attachment to SOF(2) and SO(2)F(2) is nondissociative, while reaction with SOCl(2), SO(2)FCl, and SO(2)Cl(2) is dissociative. Dissociative attachment is dominated by channels arising from S-Cl bond cleavage but also includes a minor channel forming a dihalide product ion. Branching fraction data are reported for the dissociative attachment channels.

  14. Electron attachment to sulfur oxyhalides: SOF2, SOCl2, SO2F2, SO2Cl2, and SO2FCl attachment rate coefficients, 300-900 K

    NASA Astrophysics Data System (ADS)

    Miller, Thomas M.; Friedman, Jeffrey F.; Caples, Connor M.; Shuman, Nicholas S.; Van Doren, Jane M.; Bardaro, Michael F.; Nguyen, Pho; Zweiben, Cindy; Campbell, Matthew J.; Viggiano, A. A.

    2010-06-01

    Electron attachment to SOF2, SOCl2, SO2F2, SO2FCl, and SO2Cl2 was studied with two flowing-afterglow Langmuir-probe apparatuses over the temperature range 300-900 K. Attachment rate coefficients at 300 K are ka=2.6±0.8×10-10(SOF2), 1.8±0.5×10-8(SOCl2), 4.8±0.7×10-10(SO2F2), 2.4±0.7×10-9(SO2Cl2), and 2.0±0.6×10-7 cm3 s-1(SO2FCl). Arrhenius plots of the data imply activation energies of 56±22 meV(SOF2), 92±40(SO2F2), 44±22 meV(SOCl2), and 29±15 meV(SO2Cl2). The rate coefficients for SO2FCl decrease slightly with temperature, commensurate with the decrease in the capture rate coefficient. Electron attachment to SOF2 and SO2F2 is nondissociative, while reaction with SOCl2, SO2FCl, and SO2Cl2 is dissociative. Dissociative attachment is dominated by channels arising from S-Cl bond cleavage but also includes a minor channel forming a dihalide product ion. Branching fraction data are reported for the dissociative attachment channels.

  15. First steps in photophysics. I. Fluorescence yield and radiative rate coefficient of 9,10-bis(phenylethynyl)anthracene in paraffins.

    PubMed

    Demeter, Attila

    2014-10-30

    The fluorescence quantum yield of 9,10-bis(phenylethynyl)anthracene (BPEA) is almost unity in every examined solvent. Using different hydrocarbons, one can make a convenient and sufficiently accurate experimental test for determination of the extent of the refractive index correction needed in fluorescence quantum yield determination on a given fluorometer. By comparison of the measurements in n-pentane-cis-decaline or n-hexane-toluene solvent pairs, the requirement of the n(2) correction is confirmed for most of the fluorometers; however, for one of the examined pieces of equipment the necessary correction proved to be slightly lower. By excited state's lifetime measurements, the refractive index dependence of the fluorescence rate coefficient was reexamined. At 25 °C for BPEA the relationship is in agreement with Bakhshiev's prediction: the experimentally determined exponent of n in the rate coefficient deriving equation is around 1.32 using different paraffins as solvents. The negative temperature coefficient of the radiative rate in part originates from the temperature dependence of the refractive index, while also a small intrinsic contribution has been found.

  16. Measurements of the Coefficient of Restitution of Quartz Sand on Basalt: Implications for Abrasion Rates on Earth and Mars

    NASA Technical Reports Server (NTRS)

    Banks, M.; Bridges, N. T.; Benzit, M.

    2005-01-01

    Knowledge of the rates at which rocks abrade from the impact of saltating sand provides important input into estimating the age and degree of modification of arid surfaces on Earth and Mars. Previous work has relied on measuring mass loss rates in the field and the laboratory. The susceptibility of rocks and other natural materials has been quantified on a relative scale from laboratory studies.

  17. Modeling X-Ray Photoionized Plasmas: Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for L-Shell Iron

    NASA Technical Reports Server (NTRS)

    Savin, D. W.; Badnell, N. R.; Bartsch, T.; Brandau, C.; Chen, M. H.; Grieser, M.; Gwinner, G.; Hoffknecht, A.; Kahn, S. M.; Linkemann, J.

    2000-01-01

    Iron L-shell ions (Fe XVII to Fe XXIV) play an important role in determining the line emission and thermal and ionization structures of photoionized gases. Existing uncertainties in the theoretical low temperature dielectronic recombination (DR) rate coefficients for these ions significantly affects our ability to model and interpret observations of photoionized plasmas. To help address this issue, we have initiated a laboratory program to produce reliable low temperature DR rates. Here, we present some of our recent results and discuss some of their astrophysical implications.

  18. Measurements of the effective diffusion coefficient of dissolved oxygen and oxidation rate of pyrite by dissolved oxygen in compacted sodium bentonite

    SciTech Connect

    Manaka, Mitsuo; Kawasaki, Manabu; Honda, Akira

    2000-05-01

    The redox condition of the near field is expected to affect the performance of engineered barrier systems. In particular, the oxygen initially existing in the pore spaces of compacted bentonites strongly affects the redox condition of the near field. To assess the influence of the oxygen, research was done to assess its transport parameters in the compacted bentonite and consumption process. To understand the diffusion of dissolved oxygen (DO) in compacted bentonite and to predict the effect of the DO, the measurements of the effective diffusion coefficient of DO in compacted sodium bentonite were made by electro-chemistry. As a result, the following relationship between the dry density of compacted sodium bentonite and the effective diffusion coefficient of DO in compacted sodium bentonite was derived: D{sub e} = 3.0 {+-} 0.5 {times} 10{sup {minus}9} exp({minus}3.7 {+-} 0.2 {times} 10{sup -3}p), where D{sub e} is the effective diffusion coefficient (m{sup 2}s{sup -1}) of DO in compacted sodium bentonite and p is the dry density (kg m{sup -3})of compacted sodium bentonite. The oxygen concentration in the bentonite is expected to be controlled by the oxidation of pyrite as an impurity in the bentonite. To investigate this idea, the rates of pyrite oxidation by DO in compacted sodium bentonite were estimated from the experimental data in pyrite-bentonite systems using the obtained effective diffusion coefficient of DO. The results show that the average of the rate constants of pyrite oxidation by DO in compacted sodium bentonite was 1.16 {+-} 0.35 {times} 10{sup {minus}8}m s{sup {minus}1}, whereas the rate constant in a carbonate-buffered solution (pH = 9.24) was 1.46 {+-} 0.09 {times}10{sup {minus}9}m s{sup {minus}1}.

  19. Temperature dependence for the absolute rate constant for the reaction CH/sub 2/OH + O/sub 2/. -->. HO/sub 2/ + H/sub 2/CO from 215 to 300 K

    SciTech Connect

    Nesbitt, F.L.; Payne, W.A.; Stief, L.J.

    1988-07-14

    The absolute rate constant for the reaction CH/sub 2/OH + O/sub 2/ ..-->.. HO/sub 2/ + H/sub 2/CO has been determined from 215 to 300 K in a discharge flow system at 1-Torr pressure. The decay of CH/sub 2/OH was monitored in excess O/sub 2/ by collision-free sampling mass spectrometry. The temperature dependence observed is quite different from the usual Arrhenius form. For the 215-250 K interval, an activation energy of 3.4 kcal/mol is obtained. Above 250 K, the rate constant increases at a slower rate; previous high-temperature studies (1000-2000 K) again show a faster increase in the rate constant. A possible explanation for these observations is that the reaction mechanism changes from addition at low temperature to direct abstraction at high temperatures.

  20. Assessment of external heat transfer coefficient during oocyte vitrification in liquid and slush nitrogen using numerical simulations to determine cooling rates.

    PubMed

    Santos, M V; Sansinena, M; Zaritzky, N; Chirife, J

    2012-01-01

    In oocyte vitrification, plunging directly into liquid nitrogen favor film boiling and strong nitrogen vaporization. A survey of literature values of heat transfer coefficients (h) for film boiling of small metal objects with different geometries plunged in liquid nitrogen revealed values between 125 to 1000 W per per square m per K. These h values were used in a numerical simulation of cooling rates of two oocyte vitrification devices (open-pulled straw and Cryotop), plunged in liquid and slush nitrogen conditions. Heat conduction equation with convective boundary condition was considered a linear mathematical problem and was solved using the finite element method applying the variational formulation. COMSOL Multiphysics was used to simulate the cooling process of the systems. Predicted cooling rates for OPS and Cryotop when cooled at -196 degree C (liquid nitrogen) or -207 degree C (average for slush nitrogen) for heat transfer coefficients estimated to be representative of film boiling, indicated lowering the cooling temperature produces only a maximum 10 percent increase in cooling rates; confirming the main benefit of plunging in slush over liquid nitrogen does not arise from their temperature difference. Numerical simulations also demonstrated that a hypothetical four-fold increase in the cooling rate of vitrification devices when plunging in slush nitrogen would be explained by an increase in heat transfer coefficient. This improvement in heat transfer (i.e., high cooling rates) in slush nitrogen is attributed to less or null film boiling when a sample is placed in slush (mixture of liquid and solid nitrogen) because it first melts the solid nitrogen before causing the liquid to boil and form a film.

  1. Correlation Between Heterogeneous Bacterial Attachment Rate Coefficients and Hydraulic Conductivity and Impacts on Field-Scale Bacterial Transport

    SciTech Connect

    Scheibe, Timothy D.

    2002-10-28

    In granular porous media, bacterial transport is often modeled using the advection-dispersion transport equation, modified to account for interactions between the bacteria and grain surfaces (attachment and detachment) using a linear kinetic reaction model. In this paper we examine the relationships among the parameters of the above model in the context of bacterial transport for bioaugmentation. In this context, we wish to quantify the distance to which significant concentrations of bacteria can be transported, as well as the uniformity with which they can be distributed within the subsurface. Because kinetic detachment rates (Kr) are typically much smaller than corresponding attachment rates (Kf), the attachment rate exerts primary control on the distance of bacterial transport. Hydraulic conductivity (K) also plays a significant role because of its direct relationship to the advective velocity and its typically high degree of spatial variability at field scales. Because Kf is related to the velocity, grain size, and porosity of the medium, as is K, we expect that there exists correlation between these two parameters. Previous investigators have assumed a form of correlation between Kf and ln(K) based in part on reparameterization of clean-bed filtration equations in terms of published relations between grain size, effective porosity, and ln(K). The hypotheses examined here are that (1) field-scale relationships between K and Kf can be developed by combining a number of theoretical and empirical results in the context of a heterogeneous aquifer flow model (following a similar approach to previous investigators with some extensions), and (2) correlation between K and Kf will enhance the distance of field-scale bacterial transport in granular aquifers. We test these hypotheses using detailed numerical models and observations of field-scale bacterial transport in a shallow sandy aquifer within the South Oyster Site near Oyster, Virginia, USA.

  2. Structures for attaching or sealing a space between components having different coefficients or rates of thermal expansion

    DOEpatents

    Corman, Gregory Scot; Dean, Anthony John; Tognarelli, Leonardo; Pecchioli, Mario

    2005-06-28

    A structure for attaching together or sealing a space between a first component and a second component that have different rates or amounts of dimensional change upon being exposed to temperatures other than ambient temperature. The structure comprises a first attachment structure associated with the first component that slidably engages a second attachment structure associated with the second component, thereby allowing for an independent floating movement of the second component relative to the first component. The structure can comprise split rings, laminar rings, or multiple split rings.

  3. The Influence of Cooling Rate During Crystallization on the Effective Partitioning Coefficient in High-Entropy Alloys from Al-Ti-Co-Ni-Fe System

    NASA Astrophysics Data System (ADS)

    Górecki, Kamil; Bala, Piotr; Cios, Grzegorz; Koziel, Tomasz; Stępień, Milena; Wieczerzak, Krzysztof

    2016-07-01

    An influence of two different cooling rates on the microstructure and dispersion of the components of high-entropy alloy from Al-Ti-Co-Ni-Fe system has been examined. For investigated alloys, the effective partitioning coefficient has been calculated. This factor indicates the degree of segregation of elements and allows for the specification of the differences between dendrites and interdendritic regions. The obtained results allow for the conclusion that the cooling rate substantially affect the growth of dendrites and the volume fraction of interdendritic regions as well as the partitioning of elements in the alloy. Furthermore, the obtained results made it possible to compare the influence of the cooling rate and the chemical composition on the dispersion of the alloying elements.

  4. Rate Coefficients for Reactions of Ethynyl Radical (C2H) With HCN and CH3CN: Implications for the Formation of Comples Nitriles on Titan

    NASA Technical Reports Server (NTRS)

    Hoobler, Ray J.; Leone, Stephen R.

    1997-01-01

    Rate coefficients for the reactions of C2H + HCN yields products and C2H + CH3CN yields products have been measured over the temperature range 262-360 K. These experiments represent an ongoing effort to accurately measure reaction rate coefficients of the ethynyl radical, C2H, relevant to planetary atmospheres such as those of Jupiter and Saturn and its satellite Titan. Laser photolysis of C2H2 is used to produce C2H, and transient infrared laser absorption is employed to measure the decay of C2H to obtain the subsequent reaction rates in a transverse flow cell. Rate constants for the reaction C2H + HCN yields products are found to increase significantly with increasing temperature and are measured to be (3.9-6.2) x 10(exp 13) cm(exp 3) molecules(exp -1) s(exp -1) over the temperature range of 297-360 K. The rate constants for the reaction C2H + CH3CN yields products are also found to increase substantially with increasing temperature and are measured to be (1.0-2.1) x 10(exp -12) cm(exp 3) molecules(exp -1) s(exp -1) over the temperature range of 262-360 K. For the reaction C2H + HCN yields products, ab initio calculations of transition state structures are used to infer that the major products form via an addition/elimination pathway. The measured rate constants for the reaction of C2H + HCN yields products are significantly smaller than values currently employed in photochemical models of Titan, which will affect the HC3N distribution.

  5. Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H2 → HX + H (X = N, O).

    PubMed

    Li, Yongle; Suleimanov, Yury V; Guo, Hua

    2014-02-20

    The thermal rate constants of two prototypical insertion-type reactions, namely, N/O + H2 → NH/OH + H, are investigated with ring polymer molecular dynamics (RPMD) on full-dimensional potential energy surfaces using recently developed RPMDrate code. It is shown that the unique ability of the RPMD approach among the existing theoretical methods to capture the quantum effects, e.g., tunneling and zero-point energy, as well as recrossing dynamics quantum mechanically with ring-polymer trajectories leads to excellent agreement with rigorous quantum dynamics calculations. The present result is encouraging for future applications of the RPMD method and the RPMDrate code to complex-forming chemical reactions involving polyatomic reactants.

  6. Synthetic modeling of a fluid injection-induced fault rupture with slip-rate dependent friction coefficient

    NASA Astrophysics Data System (ADS)

    Urpi, Luca; Rinaldi, Antonio Pio; Rutqvist, Jonny; Cappa, Frédéric; Spiers, Christopher J.

    2016-04-01

    Poro-elastic stress and effective stress reduction associated with deep underground fluid injection can potentially trigger shear rupture along pre-existing faults. We modeled an idealized CO2 injection scenario, to assess the effects on faults of the first phase of a generic CO2 aquifer storage operation. We used coupled multiphase fluid flow and geomechanical numerical modeling to evaluate the stress and pressure perturbations induced by fluid injection and the response of a nearby normal fault. Slip-rate dependent friction and inertial effects have been aken into account during rupture. Contact elements have been used to take into account the frictional behavior of the rupture plane. We investigated different scenarios of injection rate to induce rupture on the fault, employing various fault rheologies. Published laboratory data on CO2-saturated intact and crushed rock samples, representative of a potential target aquifer, sealing formation and fault gouge, have been used to define a scenario where different fault rheologies apply at different depths. Nucleation of fault rupture takes place at the bottom of the reservoir, in agreement with analytical poro-elastic stress calculations, considering injection-induced reservoir inflation and the tectonic scenario. For the stress state here considered, the first triggered rupture always produces the largest rupture length and slip magnitude, correlated with the fault rheology. Velocity weakening produces larger ruptures and generates larger magnitude seismic events. Heterogeneous faults have been considered including velocity-weakening or velocity strengthening sections inside and below the aquifer, while upper sections being velocity-neutral. Nucleation of rupture in a velocity strengthening section results in a limited rupture extension, both in terms of maximum slip and rupture length. For a heterogeneous fault with nucleation in a velocity-weakening section, the rupture may propagate into the overlying velocity

  7. Direct measurement of the thermal rate coefficient for electron attachment to ozone in the gas phase, 300-550 K: implications for the ionosphere.

    PubMed

    Van Doren, Jane M; Miller, Thomas M; Williams, Skip; Viggiano, A A

    2003-11-28

    Attachment of thermal electrons to O3 was studied in 133 Pa He between 300-550 K; the process is extremely inefficient. The rate coefficient increases sharply with temperature from 0.9 to 5 x 10(-11) cm(3) s(-1) (+/-30%) and comparison to kinetic energy measurements suggests internal energy can drive the reaction. These determinations account for competing processes of diffusion, recombination, and electron detachment reactions, and imply that no significant zero-energy resonance cross section exists, contradicting recent electron-beam results that call for substantial revision of ionospheric models.

  8. Estimating Absolute Site Effects

    SciTech Connect

    Malagnini, L; Mayeda, K M; Akinci, A; Bragato, P L

    2004-07-15

    The authors use previously determined direct-wave attenuation functions as well as stable, coda-derived source excitation spectra to isolate the absolute S-wave site effect for the horizontal and vertical components of weak ground motion. They used selected stations in the seismic network of the eastern Alps, and find the following: (1) all ''hard rock'' sites exhibited deamplification phenomena due to absorption at frequencies ranging between 0.5 and 12 Hz (the available bandwidth), on both the horizontal and vertical components; (2) ''hard rock'' site transfer functions showed large variability at high-frequency; (3) vertical-motion site transfer functions show strong frequency-dependence, and (4) H/V spectral ratios do not reproduce the characteristics of the true horizontal site transfer functions; (5) traditional, relative site terms obtained by using reference ''rock sites'' can be misleading in inferring the behaviors of true site transfer functions, since most rock sites have non-flat responses due to shallow heterogeneities resulting from varying degrees of weathering. They also use their stable source spectra to estimate total radiated seismic energy and compare against previous results. they find that the earthquakes in this region exhibit non-constant dynamic stress drop scaling which gives further support for a fundamental difference in rupture dynamics between small and large earthquakes. To correct the vertical and horizontal S-wave spectra for attenuation, they used detailed regional attenuation functions derived by Malagnini et al. (2002) who determined frequency-dependent geometrical spreading and Q for the region. These corrections account for the gross path effects (i.e., all distance-dependent effects), although the source and site effects are still present in the distance-corrected spectra. The main goal of this study is to isolate the absolute site effect (as a function of frequency) by removing the source spectrum (moment-rate spectrum) from

  9. Altitude Variation of the CO2 (V2)-O Quenching Rate Coefficient in Mesosphere and Lower Thermosphere

    NASA Technical Reports Server (NTRS)

    Feofilovi, Artem; Kutepov, Alexander; She, Chiao-Yao; Smith, Anne K.; Pesnell, William Dean; Goldberg, Richard A.

    2010-01-01

    Among the processes governing the energy balance in the mesosphere and lower thermosphere (mlt), the quenching of CO2(N2) vibrational levels by collisions with oxygen atoms plays an important role. However, the k(CO2-O) values measured in the lab and retrieved from atmospheric measurements vary from 1.5 x 10(exp -12) cubic centimeters per second through 9.0 x 10(exp -12) cubic centimeters per second that requires further studying. In this work we used synergistic data from a ground based lidar and a satellite infrared radiometer to estimate K(CO2-O). We used the night- and daytime temperatures between 80 and 110 km measured by the colorado state university narrow-band sodium (Na) lidar located at fort collins, colorado (41N, 255E) as ground truth of the saber/timed nearly simultaneous (plus or minus 10 minutes) and common volume (within plus or minus 1 degree in latitude, plus or minus 2 degrees in longitude) observations. For each altitude in 80-110 km interval we estimate an "optimal" value of K(CO2-O) needed to minimize the discrepancy between the simulated 15 mm CO2 radiance and that measured by the saber/timed instrument. The K(CO2-O) obtained in this way varies in altitude from 3.5 x 10(exp -12) cubic centimeters per second at 80 km to 5.2 x 10(exp -12) cubic centimeters pers second for altitudes above 95 km. We discuss this variation of the rate constant and its impact on temperature retrievals from 15 mm radiance measurements and on the energy budget of mlt.

  10. Altitude Variation of the CO2(V2)-O Quenching Rate Coefficient in Mesosphere and Lower Thermosphere

    NASA Technical Reports Server (NTRS)

    Feofilov, A.; Kutepov, A.; She, C.; Smith, A. K.; Pesnell, W. D.; Goldberg, R. A.

    2010-01-01

    Among the processes governing the energy balance in the mesosphere and lower thermosphere (MLT), the quenching of CO2(v2) vibrational levels by collisions with oxygen atoms plays an important role. However, the k(CO2-O) values measured in the lab and retrieved from atmospheric measurements vary from 1.5 x 10(exp -12)cu cm/s through 9.0 x 10(exp -12)cu cm/s that requires further studying. In this work we used synergistic data from a ground based lidar and a satellite infrared radiometer to estimate k(CO2-O). We used the night- and daytime temperatures between 80 and 110 km measured by the Colorado State University narrow-band sodium (Na) lidar located at Fort Collins, Colorado (41 N, 255E) as ground truth of the SABER/TIMED nearly simultaneous ( +/-10 minutes) and common volume (within +/-1 degree in latitude, +/-2 degrees in longitude) observations. For each altitude in 80-110 km interval we estimate an 'optimal" value of k(CO2-O) needed to minimize the discrepancy between the simulated 15 micron CO2 radiance and that measured by the SABER/TIMED instrument. The k(CO2-O) obtained in this way varies in altitude from 3.5 x 10(exp -12)cu cm/s at 80 km to 5.2 x 10(exp -12)cu cm/s for altitudes above 95 km. We discuss this variation of the rate constant and its impact on temperature retrievals from 15 pm radiance measurements and on the energy budget of MLT.

  11. Absolute Value Boundedness, Operator Decomposition, and Stochastic Media and Equations

    NASA Technical Reports Server (NTRS)

    Adomian, G.; Miao, C. C.

    1973-01-01

    The research accomplished during this period is reported. Published abstracts and technical reports are listed. Articles presented include: boundedness of absolute values of generalized Fourier coefficients, propagation in stochastic media, and stationary conditions for stochastic differential equations.

  12. Optomechanics for absolute rotation detection

    NASA Astrophysics Data System (ADS)

    Davuluri, Sankar

    2016-07-01

    In this article, we present an application of optomechanical cavity for the absolute rotation detection. The optomechanical cavity is arranged in a Michelson interferometer in such a way that the classical centrifugal force due to rotation changes the length of the optomechanical cavity. The change in the cavity length induces a shift in the frequency of the cavity mode. The phase shift corresponding to the frequency shift in the cavity mode is measured at the interferometer output to estimate the angular velocity of absolute rotation. We derived an analytic expression to estimate the minimum detectable rotation rate in our scheme for a given optomechanical cavity. Temperature dependence of the rotation detection sensitivity is studied.

  13. Ring polymer molecular dynamics fast computation of rate coefficients on accurate potential energy surfaces in local configuration space: Application to the abstraction of hydrogen from methane.

    PubMed

    Meng, Qingyong; Chen, Jun; Zhang, Dong H

    2016-04-21

    To fast and accurately compute rate coefficients of the H/D + CH4 → H2/HD + CH3reactions, we propose a segmented strategy for fitting suitable potential energy surface (PES), on which ring-polymer molecular dynamics (RPMD) simulations are performed. On the basis of recently developed permutation invariant polynomial neural-network approach [J. Li et al., J. Chem. Phys. 142, 204302 (2015)], PESs in local configuration spaces are constructed. In this strategy, global PES is divided into three parts, including asymptotic, intermediate, and interaction parts, along the reaction coordinate. Since less fitting parameters are involved in the local PESs, the computational efficiency for operating the PES routine is largely enhanced by a factor of ∼20, comparing with that for global PES. On interaction part, the RPMD computational time for the transmission coefficient can be further efficiently reduced by cutting off the redundant part of the child trajectories. For H + CH4, good agreements among the present RPMD rates and those from previous simulations as well as experimental results are found. For D + CH4, on the other hand, qualitative agreement between present RPMD and experimental results is predicted.

  14. Co2(nu2)-o Quenching Rate Coefficient Derived from Coincidental SABER-TIMED and Fort Collins Lidar Observations of the Mesosphere and Lower Thermosphere

    NASA Technical Reports Server (NTRS)

    Feofilov, A. G.; Kutepov, A. A.; She, C.-Y.; Smith, A. K.; Pesnell, W. D.; Goldberg, R. A.

    2012-01-01

    Among the processes governing the energy balance in the mesosphere and lower thermosphere (MLT), the quenching of CO2(nu2) vibrational levels by collisions with O atoms plays an important role. However, there is a factor of 3-4 discrepancy between the laboratory measurements of the CO2-O quenching rate coefficient, k(sub VT),and its value estimated from the atmospheric observations. In this study, we retrieve k(sub VT) in the altitude region85-105 km from the coincident SABER/TIMED and Fort Collins sodium lidar observations by minimizing the difference between measured and simulated broadband limb 15 micron radiation. The averaged k(sub VT) value obtained in this work is 6.5 +/- 1.5 X 10(exp -12) cubic cm/s that is close to other estimates of this coefficient from the atmospheric observations.However, the retrieved k(sub VT) also shows altitude dependence and varies from 5.5 1 +/-1 10(exp -12) cubic cm/s at 90 km to 7.9 +/- 1.2 10(exp -12) cubic cm/s at 105 km. Obtained results demonstrate the deficiency in current non-LTE modeling of the atmospheric 15 micron radiation, based on the application of the CO2-O quenching and excitation rates, which are linked by the detailed balance relation. We discuss the possible model improvements, among them accounting for the interaction of the non-thermal oxygen atoms with CO2 molecules.

  15. Ring polymer molecular dynamics fast computation of rate coefficients on accurate potential energy surfaces in local configuration space: Application to the abstraction of hydrogen from methane

    NASA Astrophysics Data System (ADS)

    Meng, Qingyong; Chen, Jun; Zhang, Dong H.

    2016-04-01

    To fast and accurately compute rate coefficients of the H/D + CH4 → H2/HD + CH3 reactions, we propose a segmented strategy for fitting suitable potential energy surface (PES), on which ring-polymer molecular dynamics (RPMD) simulations are performed. On the basis of recently developed permutation invariant polynomial neural-network approach [J. Li et al., J. Chem. Phys. 142, 204302 (2015)], PESs in local configuration spaces are constructed. In this strategy, global PES is divided into three parts, including asymptotic, intermediate, and interaction parts, along the reaction coordinate. Since less fitting parameters are involved in the local PESs, the computational efficiency for operating the PES routine is largely enhanced by a factor of ˜20, comparing with that for global PES. On interaction part, the RPMD computational time for the transmission coefficient can be further efficiently reduced by cutting off the redundant part of the child trajectories. For H + CH4, good agreements among the present RPMD rates and those from previous simulations as well as experimental results are found. For D + CH4, on the other hand, qualitative agreement between present RPMD and experimental results is predicted.

  16. The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions.

    PubMed

    Kurnosov, Alexander; Cacciatore, Mario; Laganà, Antonio; Pirani, Fernando; Bartolomei, Massimiliano; Garcia, Ernesto

    2014-04-05

    The rate coefficients for N2-N2 collision-induced vibrational energy exchange (important for the enhancement of several modern innovative technologies) have been computed over a wide range of temperature. Potential energy surfaces based on different formulations of the intramolecular and intermolecular components of the interaction have been used to compute quasiclassically and semiclassically some vibrational to vibrational energy transfer rate coefficients. Related outcomes have been rationalized in terms of state-to-state probabilities and cross sections for quasi-resonant transitions and deexcitations from the first excited vibrational level (for which experimental information are available). On this ground, it has been possible to spot critical differences on the vibrational energy exchange mechanisms supported by the different surfaces (mainly by their intermolecular components) in the low collision energy regime, though still effective for temperatures as high as 10,000 K. It was found, in particular, that the most recently proposed intermolecular potential becomes the most effective in promoting vibrational energy exchange near threshold temperatures and has a behavior opposite to the previously proposed one when varying the coupling of vibration with the other degrees of freedom.

  17. Analytic expressions for perturbations and partial derivatives of range and range rate of a spacecraft with respect to the coefficient of the second harmonic

    NASA Technical Reports Server (NTRS)

    Georgevic, R. M.

    1973-01-01

    Closed-form analytic expressions for the time variations of instantaneous orbital parameters and of the topocentric range and range rate of a spacecraft moving in the gravitational field of an oblate large body are derived using a first-order variation of parameters technique. In addition, the closed-form analytic expressions for the partial derivatives of the topocentric range and range rate are obtained, with respect to the coefficient of the second harmonic of the potential of the central body (J sub 2). The results are applied to the motion of a point-mass spacecraft moving in the orbit around the equatorially elliptic, oblate sun, with J sub 2 approximately equal to .000027.

  18. Absolute rate constants for the quenching of reactive excited states by melanin and related 5,6-dihydroxyindole metabolites: implications for their antioxidant activity.

    PubMed

    Zhang, X; Erb, C; Flammer, J; Nau, W M

    2000-05-01

    The triplet-excited state of benzophenone and the singlet-excited state of 2,3-diazabicyclo[2.2.2]oct-2-ene (Fluorazophore-P) have been employed as kinetic probes to obtain information on the antioxidant activity of the skin and eye pigment melanin and its biogenetic precursors 5,6-dihydroxyindole (DHI) and 5,6-dihydroxyindole-2-carboxylic acid (DHICA). The excited states were generated by the laser-flash photolysis technique and their reaction kinetics was examined by time-resolved transient absorption or fluorescence spectroscopy, respectively. The reaction between triplet benzophenone and DHI produced with unit efficiency the corresponding 6O-centered semiquinone radical, which was characterized by its characteristic transient absorption. The quenching rate constants for DHI (3.1-8.4 x 10(9) M-1 s-1) and DHICA (3.3-5.5 x 10(9) M-1 s-1) were near the diffusion-controlled limit, indicating excellent antioxidant properties. Kinetic solvent effects were observed. The reactivity of synthetic melanin, assessed through the quenching rate constant of Fluorazophore-P and normalized to the number of monomer units, was more than one order of magnitude lower (2.7 x 10(8) M-1 s-1) than that of its precursors. The trend of the quenching rate constants, i.e. DHI > DHICA approximately alpha-tocopherol > melanin, along with the preferential solubility of DHICA in aqueous environments, serves to account for several experimental results from biochemical studies on the inhibition of lipid peroxidation by these natural antioxidants.

  19. Absolute neutrino mass scale

    NASA Astrophysics Data System (ADS)

    Capelli, Silvia; Di Bari, Pasquale

    2013-04-01

    Neutrino oscillation experiments firmly established non-vanishing neutrino masses, a result that can be regarded as a strong motivation to extend the Standard Model. In spite of being the lightest massive particles, neutrinos likely represent an important bridge to new physics at very high energies and offer new opportunities to address some of the current cosmological puzzles, such as the matter-antimatter asymmetry of the Universe and Dark Matter. In this context, the determination of the absolute neutrino mass scale is a key issue within modern High Energy Physics. The talks in this parallel session well describe the current exciting experimental activity aiming to determining the absolute neutrino mass scale and offer an overview of a few models beyond the Standard Model that have been proposed in order to explain the neutrino masses giving a prediction for the absolute neutrino mass scale and solving the cosmological puzzles.

  20. Absolute bioavailability and absorption characteristics of divalproex sodium extended-release tablets in healthy volunteers.

    PubMed

    Dutta, Sandeep; Reed, Ronald C; Cavanaugh, John H

    2004-07-01

    Conventional delayed-release, enteric-coated divalproex sodium tablet has an absolute bioavailability of approximately 100%. Divalproex sodium extended-release (ER) tablet is a novel formulation of valproic acid (VPA) designed to release the drug slowly at a constant zero-order rate. The purpose of this study was to evaluate the absolute bioavailability and absorption characteristics of divalproex ER. Healthy adult volunteers (n = 16) received divalproex ER and intravenous VPA in crossover fashion. Absolute bioavailability was calculated as the divalproex ER/intravenous VPA ratio of area under the curve extrapolated to infinity. The duration and rate of absorption of VPA from divalproex ER tablets were determined by deconvolution analysis. The geometric mean absolute bioavailability of divalproex ER was 0.896. The mean (coefficient of variation) duration of drug absorption from divalproex ER was 21.8 (17%) hours, and the zero-order absorption rate was 21.6 (24%) mg/h for a 500-mg tablet. Divalproex ER has a lower absolute bioavailability than conventional divalproex tablets but exhibits good extended-release characteristics without any dose dumping.

  1. The absolute path command

    SciTech Connect

    Moody, A.

    2012-05-11

    The ap command traveres all symlinks in a given file, directory, or executable name to identify the final absolute path. It can print just the final path, each intermediate link along with the symlink chan, and the permissions and ownership of each directory component in the final path. It has functionality similar to "which", except that it shows the final path instead of the first path. It is also similar to "pwd", but it can provide the absolute path to a relative directory from the current working directory.

  2. Rate Coefficients for O-Atom Three-Body Recombination in N2 at Temperatures in the Range 170--320 K

    NASA Astrophysics Data System (ADS)

    Pejakovic, D. A.; Kalogerakis, K. S.; Copeland, R. A.; Huestis, D. L.; Robertson, R. M.; Smith, G. P.

    2005-12-01

    Three-body recombination of O-atoms, O + O + M → O_2* + M is one of the most important reactions in the upper atmospheres of Earth, Venus, and Mars. It is the only source for O2 nightglow, and the resulting emissions of electronically excited O2 are key tracers for photochemical and wave activity near the mesopause. Thus, knowledge of the rate coefficient for recombination of atomic oxygen is essential for modeling atmospheric composition. However, there exists a large discrepancy in the published estimates for this rate coefficient. For M = N2, the room temperature coefficient varies between about 3 × 10-33 cm6s-1, which is the value used in the combustion science community, and 5 × 10-33 cm6s-1, a value adopted in the atmospheric modeling community. We report measurements of the rate coefficient for O-atom recombination with N2 as the third body by two different experimental approaches. In the first experiment, we employ the pulsed output of a F2 laser at 157 nm to achieve high levels of photodissociation of molecular oxygen. In a high-pressure (760 Torr) background of N2 the produced O-atoms recombine in a time scale of several milliseconds. Oxygen atom population is monitored by observing fluorescence at 845 nm, induced by the output of a second laser near 226 nm. In the second experiment, the focused output of a KrF excimer laser at 248 nm is used to achieve complete photodissociation of measured amounts of ozone (0.2--0.9 Torr) in a background of ~500 Torr of N2, producing known initial concentrations of O-atoms. Their population decay is monitored by laser-induced fluorescence excited by the 226 nm radiation from a delayed frequency-doubled OPO system. The reaction cell can be cooled by dry ice or liquid nitrogen baths. The preliminary results of the O2 photolysis experiments give a room-temperature value for the rate coefficient of about 2.8 × 10-33 cm6s-1. The ozone photolysis experiments at 316 K (including effects of laser and kinetic heating of the

  3. Rate coefficients for the gas-phase reactions of the nitrate radical with (Z)-3-hexenol (`leaf alcohol`) and its isomers

    NASA Astrophysics Data System (ADS)

    Pfrang, C.; Kasyutich, V. L.; Canosa-Mas, C. E.; Vaughan, S.; Wayne, R. P.

    2003-04-01

    The nitrate radical, NO_3, is a key species in the night-time tropospheric oxidation of a variety of volatile organic compounds (VOCs), including those emitted by living vegetation. In addition to the VOC emissions from intact plants, it is well known that wounding induces the release of a series of C_6 aldehydes and C_6 alcohols, as can be readily sensed in the odour of freshly mown grass. Large emissions of the "leaf alcohol", (Z)-3-hexenol, have been observed after wounding, during drying, and following pathogen attack, while (Z)-2-hexenol has been reported as an emission from clipped clover. Rate coefficients for the gas-phase reactions of the nitrate radical with these two isomeric compounds have been measured using the discharge-flow technique at room temperature. Because of the relatively low volatility of these compounds, it is necessary to employ low concentrations of NO_3 in order to determine the kinetics satisfactorily. To this end, we used a technique not hitherto applied in kinetic experiments on NO_3: that of off-axis continuous-wave cavity-enhanced absorption spectroscopy (CW CEAS) for the detection of NO_3, using a broadband absorption line at λ = 662 nm. A noise-equivalent detection sensitivity of 5.5 × 10^9 molecule cm-3 for the nitrate radical (Kasyutich et al., Appl. Phys. B, 2002, 75, 755--761) enabled us to work with the hexenol compounds in excess over NO_3. The rate coefficients were determined to be (2.80 ± 0.12) × 10-13 cm^3 molecule-1 s-1 and (1.36 ± 0.08) × 10-13 cm^3 molecule-1 s-1, respectively, for (Z)-3-hexenol and (Z)-2-hexenol. The rate constant for reaction with (Z)-3-hexenol lies within the combined error limits of the single measurement of the rate coefficient using relative rate methods of (2.72 ± 0.83) × 10-13 cm^3 molecule-1 s-1 (Atkinson et al., Int. J. Chem. Kinetics, 1995, 27, 941--955). However, for (Z)-3-hexenol there is some evidence for upward curvature of the second-order plot at longer contact times, and

  4. CO2(v2)-O Quenching Rate Coefficient Derived From Coincidental SABER/TIMED And Ground-Based Lidar Observations Of The Mesosphere And Lower Thermosphere

    NASA Astrophysics Data System (ADS)

    Feofilov, A.; Kutepov, A.; Chu, X.; Smith, A. K.

    2012-12-01

    Infrared emission in 15 μm CO2 band (I15 μm) is the dominant cooling mechanism in the Earth's mesosphere and lower thermosphere (MLT). On Earth, the magnitude of the MLT cooling affects both the mesopause temperature and height; the stronger the cooling, the colder and higher is the mesopause. This process is also important for the energy budgets of Martian and, especially, Venusian atmospheres, where CO2 cooling compensates for the EUV heating of the dayside upper atmosphere. The I15 μm radiation is used to retrieve vertical temperature distributions T(z) in Earth's atmosphere by a number of satellite instruments. Both the cooling efficiency and I15 μm strongly depend on the rate coefficient of the quenching of the CO2(ν2) vibrational levels by collisions with oxygen atoms. However, there is a factor of 3-4 discrepancy between the laboratory measurements of this rate coefficient, kVT, and its value estimated from the atmospheric observations. In this study, we retrieve kVT in the altitude region 85-105 km from the coincident SABER/TIMED and ground-based lidar observations in different locations by minimizing the difference between measured and simulated broadband limb 15 μm radiation. Obtained results demonstrate the deficiency in current non-LTE modeling of the atmospheric 15 μm radiation, based on the application of the CO2-O quenching and excitation rates, which are linked by the detailed balance relation. We discuss the possible model improvements, among them accounting for the interaction of the "non-thermal" oxygen atoms with CO2 molecules.

  5. Determination of electron-impact transfer rate coefficients between argon 1s2 and 1s3 states by laser pump-probe technique

    NASA Astrophysics Data System (ADS)

    Carbone, E. A. D.; Hübner, S.; van der Mullen, J. J. A. M.; Kroesen, G. M. W.; Sadeghi, N.

    2013-10-01

    In a microwave argon plasma, the electron-impact population transfers between the first four excited states of argon are studied by time-resolved laser pump-probe technique. Metastable atoms in the 1s5 state (in Paschen's notation) are selectively pumped up to the 2p3 state, with a nanosecond pulsed dye laser tuned to the 706 nm argon transition and the temporal response of the densities in the 1s3, 1s4 and 1s5 states are monitored by time-resolved laser diode absorption. The electron density and temperature are also measured by Thomson scattering along the plasma column for different pressures. The rate coefficient measured for the 1s3 to 1s2 state transfer, for which only rough estimations exist in the literature is found to be 9 × 10-13 m3 s-1, almost five times larger than the value commonly assumed.

  6. First principles transport coefficients and reaction rates of Ar{sub 2}{sup +} ions in argon for cold plasma jet modeling

    SciTech Connect

    Chicheportiche, Alexandre; Benhenni, Malika; Yousfi, Mohammed; Stachoň, Martin; Kalus, René; Gadéa, Florent Xavier

    2014-10-07

    Momentum-transfer collision cross-sections and integral collision cross-sections for the collision-induced dissociation are calculated for collisions of ionized argon dimers with argon atoms using a nonadiabatic semiclassical method with the electronic Hamiltonian calculated on the fly via a diatomics-in-molecules semiempirical model as well as inverse-method modeling based on simple isotropic rigid-core potential. The collision cross-sections are then used in an optimized Monte Carlo code for evaluations of the Ar{sub 2}{sup +} mobility in argon gas, longitudinal diffusion coefficient, and collision-induced dissociation rates. A thorough comparison of various theoretical calculations as well as with available experimental data on the Ar{sub 2}{sup +} mobility and collision cross-sections is performed. Good agreement is found between both theoretical approaches and the experiment. Analysis of the role of inelastic processes in Ar{sub 2}{sup +}/Ar collisions is also provided.

  7. Collisional rate coefficients of SiH(X2 Π) open-shell molecule induced by its collision with He(1 S)

    NASA Astrophysics Data System (ADS)

    Tchakoua, T.; Nsangou, M.; Motapon, O.

    2017-01-01

    New adiabatic potential energy surfaces (PESs) for 2A‧ and 2A″ states of SiH(X2 Π)-He(1 S) complex have been calculated at the restricted coupled cluster level of theory including single, double and triple excitation [RCCSD(T)]. The RKHS method was used for the analytic fit of these PESs. The resulting PESs were employed later in the close-coupling approach for the computation of the inelastic integral cross sections which take into account the fine-structure of the SiH radical. Scattering calculations, are done on a grid of collision energies large enough to ensure converged state-to-state rate coefficients for the temperature ranging from 8 K up to 300 K.

  8. A theoretical investigation of the atmospherically important reaction between chlorine atoms and formic acid: determination of the reaction mechanism and calculation of the rate coefficient at different temperatures

    NASA Astrophysics Data System (ADS)

    Ng, Maggie; Mok, Daniel K. W.; Lee, Edmond P. F.; Dyke, John M.

    2015-07-01

    The Cl + HCOOH reaction is important in the atmosphere, as the chlorine (Cl) atom is an important oxidant, especially in the marine boundary layer, and formic acid (HCOOH) is one of the most abundant organic acids in the troposphere. The reaction surfaces of the two H abstraction channels were computed by second-order unrestricted Møller-Plesset perturbation theory (UMP2) and density functional theory (DFT) calculations. Relative electronic energies were improved to the RCCSD(T)/CBS and UCCSD(T)-F12/CBS levels. The barrier of the C-H hydrogen abstraction channel was found to be lower by about 10 kcal mol-1. Rate coefficients (k) of this channel were calculated at different temperatures at various variational transition state theory (VTST) levels including tunnelling. For single-level direct dynamics VTST calculations, the computed k (2.5 × 10-13 cm3 molecule-1 s-1) using the BMK (Boese and Martin meta hybrid) functional at the highest level (ICVT/SCT) agrees the best with experimental values at 298 K (1.8 and 2.0 × 10-13 cm3 molecule-1 s-1). For dual-level direct dynamics calculations (RCCSD(T)/CBS//MP2 MEP), an adjusted barrier height of 3.1 kcal mol-1 is required to match the ICVT/SCT k with the experimental values. The computed rate coefficients of the Cl + HCOOH reaction is reported for the first time with a temperature range of 200-1500 K. The implications of the results obtained to atmospheric chemistry are discussed.

  9. Measurement of the rate coefficient for collisional removal of O2(X3Sigma- g, upsilon=1) by O(3P).

    PubMed

    Kalogerakis, Konstantinos S; Copeland, Richard A; Slanger, Tom G

    2005-11-15

    We report a laboratory measurement of the rate coefficient for the collisional removal of O(2)(X(3)Sigma(g) (-),upsilon=1) by O((3)P) atoms. In the experiments, 266-nm laser light photodissociates ozone in a mixture of molecular oxygen and ozone. The photolysis step produces vibrationally excited O(2)(a(1)Delta(g)) that is rapidly converted to O(2)(X(3)Sigma(g) (-),upsilon=1-3) in a near-resonant electronic energy-transfer process with ground-state O(2). In parallel, a large amount of O((1)D) atoms is generated that promptly relaxes to O((3)P). Under the conditions of the experiments, only collisions with the photolytically produced O((3)P) atoms control the lifetime of O(2)(X(3)Sigma(g) (-),upsilon=1), because its removal by molecular oxygen at room temperature is extremely slow. Tunable 193-nm laser light monitors the temporal evolution of the O(2)(X(3)Sigma(g) (-),upsilon=1) population by detection of laser-induced fluorescence near 360 nm. The removal rate coefficient for O(2)(X(3)Sigma(g) (-),upsilon=1) by O((3)P) atoms is (3.2+/-1.0)x10(-12) cm(3) s(-1) (2sigma) at a temperature of 315+/-15 K (2sigma). This result is essential for the analysis and correct interpretation of the 6.3-mum H(2)O(nu(2)) band emission in the Earth's mesosphere and indicates that the deactivation of O(2)(X (3)Sigma(g) (-),upsilon=1) by O((3)P) atoms is significantly faster than the nominal values recently used in atmospheric models.

  10. Electronic Absolute Cartesian Autocollimator

    NASA Technical Reports Server (NTRS)

    Leviton, Douglas B.

    2006-01-01

    An electronic absolute Cartesian autocollimator performs the same basic optical function as does a conventional all-optical or a conventional electronic autocollimator but differs in the nature of its optical target and the manner in which the position of the image of the target is measured. The term absolute in the name of this apparatus reflects the nature of the position measurement, which, unlike in a conventional electronic autocollimator, is based absolutely on the position of the image rather than on an assumed proportionality between the position and the levels of processed analog electronic signals. The term Cartesian in the name of this apparatus reflects the nature of its optical target. Figure 1 depicts the electronic functional blocks of an electronic absolute Cartesian autocollimator along with its basic optical layout, which is the same as that of a conventional autocollimator. Referring first to the optical layout and functions only, this or any autocollimator is used to measure the compound angular deviation of a flat datum mirror with respect to the optical axis of the autocollimator itself. The optical components include an illuminated target, a beam splitter, an objective or collimating lens, and a viewer or detector (described in more detail below) at a viewing plane. The target and the viewing planes are focal planes of the lens. Target light reflected by the datum mirror is imaged on the viewing plane at unit magnification by the collimating lens. If the normal to the datum mirror is parallel to the optical axis of the autocollimator, then the target image is centered on the viewing plane. Any angular deviation of the normal from the optical axis manifests itself as a lateral displacement of the target image from the center. The magnitude of the displacement is proportional to the focal length and to the magnitude (assumed to be small) of the angular deviation. The direction of the displacement is perpendicular to the axis about which the

  11. Absolute airborne gravimetry

    NASA Astrophysics Data System (ADS)

    Baumann, Henri

    This work consists of a feasibility study of a first stage prototype airborne absolute gravimeter system. In contrast to relative systems, which are using spring gravimeters, the measurements acquired by absolute systems are uncorrelated and the instrument is not suffering from problems like instrumental drift, frequency response of the spring and possible variation of the calibration factor. The major problem we had to resolve were to reduce the influence of the non-gravitational accelerations included in the measurements. We studied two different approaches to resolve it: direct mechanical filtering, and post-processing digital compensation. The first part of the work describes in detail the different mechanical passive filters of vibrations, which were studied and tested in the laboratory and later in a small truck in movement. For these tests as well as for the airborne measurements an absolute gravimeter FG5-L from Micro-G Ltd was used together with an Inertial navigation system Litton-200, a vertical accelerometer EpiSensor, and GPS receivers for positioning. These tests showed that only the use of an optical table gives acceptable results. However, it is unable to compensate for the effects of the accelerations of the drag free chamber. The second part describes the strategy of the data processing. It is based on modeling the perturbing accelerations by means of GPS, EpiSensor and INS data. In the third part the airborne experiment is described in detail, from the mounting in the aircraft and data processing to the different problems encountered during the evaluation of the quality and accuracy of the results. In the part of data processing the different steps conducted from the raw apparent gravity data and the trajectories to the estimation of the true gravity are explained. A comparison between the estimated airborne data and those obtained by ground upward continuation at flight altitude allows to state that airborne absolute gravimetry is feasible and

  12. On the solar cycle variation in the barometer coefficients of high latitude neutron monitors

    NASA Technical Reports Server (NTRS)

    Kusunose, M.; Ogita, N.

    1985-01-01

    Evaluation of barometer coefficients of neutron monitors located at high latitudes has been performed by using the results of the spherical harmonic analysis based on the records from around twenty stations for twelve years from January 1966 to December 1977. The average of data at eight stations, where continuous records are available for twelve years, show that the absolute value of barometer coefficient is in positive correlation with the cosmic ray neutron intensity. The variation rate of the barometer coefficient to the cosmic ray neutron intensity is influenced by the changes in the cutoff rigidity and in the primary spectrum.

  13. Absolute-structure reports.

    PubMed

    Flack, Howard D

    2013-08-01

    All the 139 noncentrosymmetric crystal structures published in Acta Crystallographica Section C between January 2011 and November 2012 inclusive have been used as the basis of a detailed study of the reporting of absolute structure. These structure determinations cover a wide range of space groups, chemical composition and resonant-scattering contribution. Defining A and D as the average and difference of the intensities of Friedel opposites, their level of fit has been examined using 2AD and selected-D plots. It was found, regardless of the expected resonant-scattering contribution to Friedel opposites, that the Friedel-difference intensities are often dominated by random uncertainty and systematic error. An analysis of data collection strategy is provided. It is found that crystal-structure determinations resulting in a Flack parameter close to 0.5 may not necessarily be from crystals twinned by inversion. Friedifstat is shown to be a robust estimator of the resonant-scattering contribution to Friedel opposites, very little affected by the particular space group of a structure nor by the occupation of special positions. There is considerable confusion in the text of papers presenting achiral noncentrosymmetric crystal structures. Recommendations are provided for the optimal way of treating noncentrosymmetric crystal structures for which the experimenter has no interest in determining the absolute structure.

  14. Circadian Variations in Blood Pressure, Heart Rate, and HR-BP Cross-Correlation Coefficient during Progression of Diabetes Mellitus in Rat.

    PubMed

    Anigbogu, Chikodi N; Williams, Daniel T; Brown, David R; Silcox, Dennis L; Speakman, Richard O; Brown, Laura C; Karounos, Dennis G; Randall, David C

    2011-01-01

    Circadian changes in cardiovascular function during the progression of diabetes mellitus in the diabetes prone rat (BBDP) (n = 8) were studied. Age-matched diabetes-resistant rats (BBDR) served as controls. BP was recorded via telemetry in contiguous 4 hr time periods over 24 hours starting with 12 midnight to 4 am as period zero (P0). Prior to onset of diabetes BP was high at P0, peaked at P2, and then fell again at P3; BP and heart rate (HR) then increased gradually at P4 and leveled off at P5, thereby exhibiting a bipodal rhythm. These patterns changed during long-term diabetes. The cross-correlation coefficient of BP and HR was not significantly different across groups at onset, but it fell significantly at 9 months of duration of diabetes (BBDP: 0.39 ± 0.06; BBDR: 0.65 ± 0.03; P < .05). These results show that changes in circadian cardiovascular rhythms in diabetes mellitus became significant at the late stage of the disease.

  15. Kinetic study of the concentration dependence of the mass transfer rate coefficient in anion-exchange chromatography of bovine serum albumin

    SciTech Connect

    Miyabe, Kanji; Guiochon, G. |

    1999-07-01

    The experimental results of a previous study of the mass transfer kinetics of bovine serum albumin (BSA) in ion-exchange chromatography under nonlinear conditions are reevaluated. The analysis of the concentration dependence of the lumped mass-transfer rate coefficient (k{sub m,L}) provides information on the kinetics of axial dispersion, fluid-to-particle mass transfer, intraparticle mass transfer, and adsorption/desorption. The new analysis shows that the contribution of intraparticle mass transfer is the dominant one. Similar to k{sub m,L}, the surface diffusivity (D{sub s}) of BSA increases with increasing concentration. The linear concentration dependence of k{sub m,L} seems to originate in a similar dependence of D{sub s}. The use of a heterogeneous-surface model for the anion-exchange resin provides an explanation of the positive concentration dependence of D{sub s}. This work illustrates how frontal analysis data can be used for a detailed investigation of the kinetics of mass transfer between the phases of a chromatographic column, in addition to its conventional use in the determination of the thermodynamic characteristics of the phase equilibrium.

  16. Experimental measurements of low temperature rate coefficients for neutral-neutral reactions of interest for atmospheric chemistry of Titan, Pluto and Triton: reactions of the CN radical.

    PubMed

    Morales, Sébastien B; Le Picard, Sébastien D; Canosa, André; Sims, Ian R

    2010-01-01

    The kinetics of the reactions of cyano radical, CN (X2sigma+) with three hydrocarbons, propane (CH3CH2CH3), propene (CH3CH=CH2) and 1-butyne (CH[triple band]CCH2CH3) have been studied over the temperature range of 23-298 K using a CRESU (Cinétique de Réaction en Ecoulement Supersonique Uniforme or Reaction Kinetics in Uniform Supersonic Flow) apparatus combined with the pulsed laser photolysis-laser induced fluorescence technique. These reactions are of interest for the cold atmospheres of Titan, Pluto and Triton, as they might participate in the formation of nitrogen and carbon bearing molecules, including nitriles, that are thought to play an important role in the formation of hazes and biological molecules. All three reactions are rapid with rate coefficients in excess of 10(-10) cm3 molecule(-1) s(-1) at the lowest temperatures of this study and show behaviour characteristic of barrierless reactions. Temperature dependences, different for each reaction, are compared to those used in the most recent photochemical models of Titan's atmosphere.

  17. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  18. Gas-phase rate coefficients for reactions of NO 3, OH, O 3 and O( 3P) with unsaturated alcohols and ethers: Correlations and structure-activity relations (SARs)

    NASA Astrophysics Data System (ADS)

    Pfrang, Christian; King, Martin D.; Braeckevelt, Mareike; Canosa-Mas, Carlos E.; Wayne, Richard P.

    Experimental difficulties sometimes force modellers to use predicted rate coefficients for reactions of oxygenated volatile organic compounds (oVOCs). We examine here methods for making the predictions for reactions of atmospheric initiators of oxidation, NO 3, OH, O 3 and O( 3P), with unsaturated alcohols and ethers. Logarithmic correlations are found between measured rate coefficients and calculated orbital energies, and these correlations may be used directly to estimate rate coefficients for compounds where measurements have not been performed. To provide a shortcut that obviates the need to calculate orbital energies, structure-activity relations (SARs) are developed. Our SARs are tested for predictive power against compounds for which experimental rate coefficients exist, and their accuracy is discussed. Estimated atmospheric lifetimes for oVOCs are presented. The SARs for alkenols successfully predict key rate coefficients, and thus can be used to enhance the scope of atmospheric models incorporating detailed chemistry. SARs for the ethers have more limited applicability, but can still be useful in improving tropospheric models.

  19. Absolute multilateration between spheres

    NASA Astrophysics Data System (ADS)

    Muelaner, Jody; Wadsworth, William; Azini, Maria; Mullineux, Glen; Hughes, Ben; Reichold, Armin

    2017-04-01

    Environmental effects typically limit the accuracy of large scale coordinate measurements in applications such as aircraft production and particle accelerator alignment. This paper presents an initial design for a novel measurement technique with analysis and simulation showing that that it could overcome the environmental limitations to provide a step change in large scale coordinate measurement accuracy. Referred to as absolute multilateration between spheres (AMS), it involves using absolute distance interferometry to directly measure the distances between pairs of plain steel spheres. A large portion of each sphere remains accessible as a reference datum, while the laser path can be shielded from environmental disturbances. As a single scale bar this can provide accurate scale information to be used for instrument verification or network measurement scaling. Since spheres can be simultaneously measured from multiple directions, it also allows highly accurate multilateration-based coordinate measurements to act as a large scale datum structure for localized measurements, or to be integrated within assembly tooling, coordinate measurement machines or robotic machinery. Analysis and simulation show that AMS can be self-aligned to achieve a theoretical combined standard uncertainty for the independent uncertainties of an individual 1 m scale bar of approximately 0.49 µm. It is also shown that combined with a 1 µm m‑1 standard uncertainty in the central reference system this could result in coordinate standard uncertainty magnitudes of 42 µm over a slender 1 m by 20 m network. This would be a sufficient step change in accuracy to enable next generation aerospace structures with natural laminar flow and part-to-part interchangeability.

  20. The Effective Diffusion Coefficient of Dissolved Oxygen and Oxidation Rate of Pyrite by Dissolved Oxygen in Compacted Purified and Crude Sodium Bentonites in Carbonate Buffered Solution

    SciTech Connect

    Manaka, Mitsuo

    2003-09-15

    Immediately after the geological disposal of high-level radioactive waste, the oxygen initially existing in the repository is expected to strongly affect the redox condition of the near field. The oxygen dissolves in the groundwater, is transported by diffusion through it, and is consumed by the oxidation of pyrite as an impurity in bentonite. To assess the influence of the oxygen, this study was conducted to estimate the diffusion of dissolved oxygen (DO) and the rate of pyrite oxidation by DO in compacted purified and crude sodium bentonites (SBs) in more detail than the Manaka et al. study. The effective diffusion coefficient (De) of DO in the compacted purified SB was measured in low ionic strength solution (carbonate buffered solution with pH {approx} 9) using the electrochemical method. The empirical equation between De value of DO and dry density (0.5 x 10{sup 3}-1.8 x 10{sup 3} kg m{sup -3}) of purified SB was obtained as follows:De{sub DO}{sup Kunipia-F} = 8.2 {+-} 1.5 x 10{sup -10}x exp(-2.6 {+-} 0.2 x10{sup -3}{rho},where De{sub DO}{sup Kunipia-F} is the De of DO in compacted purified SB (Kunipia F) (m{sup 2} s{sup -1}) and {rho} is the dry density of the SB (kg m{sup -3}).On the other hand, the De value of DO in the compacted crude SB was estimated using the relationship between De values of tritiated water in compacted purified and crude SBs. The empirical equation between the De value of DO and dry density (0.5 x 10{sup 3}-1.8 x 10{sup 3} kg m{sup -3}) of crude SB was derived as follows:De{sub DO}{sup Kunigel-V1} = 2.04 x 10{sup -9} exp(-2.6 x 10{sup -3}{rho}),where De{sub DO}{sup Kunigel-V1} is the De of DO in compacted crude SB (Kunigel V1) (m{sup 2} s{sup -1}) and {rho} is the dry density of the SB (kg m{sup -3}).The rates of pyrite oxidation by DO were estimated from the experimental data in pyrite-purified SB systems using the obtained De values of DO. The relation between rate constant (k') of pyrite oxidation by DO and dry density ({rho}) of

  1. The impact of aerosol hygroscopic growth on the single-scattering albedo and its application on the NO2 photolysis rate coefficient

    NASA Astrophysics Data System (ADS)

    Tao, Jiangchuan; Zhao, Chunsheng

    2016-04-01

    Hygroscopic growth of aerosol particles can significantly affect their single-scattering albedo (ω), and consequently alters the aerosol effect on tropospheric photochemistry. In this study, the impact of aerosol hygroscopic growth on ω and its application to the NO2 photolysis rate coefficient (JNO2) are investigated for a typical aerosol particle population in the North China Plain (NCP). The variations of aerosol optical properties with relative humidity (RH) are calculated using a Mie theory aerosol optical model, on the basis of field measurements of number-size distribution and hygroscopic growth factor (at RH values above 90 %) from the 2009 HaChi (Haze in China) project. Results demonstrate that ambient ω has pronouncedly different diurnal patterns from ω measured at dry state, and is highly sensitive to the ambient RHs. Ambient ω in the NCP can be described by a dry state ω value of 0.863, increasing with the RH following a characteristic RH dependence curve. A Monte Carlo simulation shows that the uncertainty ofω from the propagation of uncertainties in the input parameters decreases from 0.03 (at dry state) to 0.015 (RHs > 90 %). The impact of hygroscopic growth on ω is further applied in the calculation of the radiative transfer process. Hygroscopic growth of the studied aerosol particle population generally inhibits the photolysis of NO2 at the ground level, whereas accelerates it above the moist planetary boundary layer. Compared with dry state, the calculated JNO2 at RH of 98 % at the height of 1 km increases by 30.4 %, because of the enhancement of ultraviolet radiation by the humidified scattering-dominant aerosol particles. The increase of JNO2 due to the aerosol hygroscopic growth above the upper boundary layer may affect the tropospheric photochemical processes and this needs to be taken into account in the atmospheric chemical models.

  2. Rate Coefficients of C2H with C2H4, C2H6, and H2 from 150 to 359 K

    NASA Technical Reports Server (NTRS)

    Opansky, Brian J.; Leone, Stephen R.

    1996-01-01

    Rate coefficients for the reactions C2H with C2H4, C2H6, and H2 are measured over the temperature range 150-359 K using transient infrared laser absorption spectroscopy. The ethynyl radical is formed by photolysis of C2H2 with a pulsed excimer laser at 193 nm, and its transient absorption is monitored with a color center laser on the Q(sub 11)(9) line of the A(sup 2) Pi-Chi(sup 2) Sigma transition at 3593.68 cm(exp -1). Over the experimental temperature range 150-359 K the rate constants of C2H with C2H4, C2H6, and H2 can be fitted to the Arrhenius expressions k(sub C2H4) = (7.8 +/- 0.6) x 10(exp -11) exp[(134 +/- 44)/T], k(sub C2H6) = (3.5 +/- 0.3) x 10(exp -11) exp[(2.9 +/- 16)/T], and k(sub H2) = (1.2 +/- 0.3) x 10(exp -11) exp[(-998 +/- 57)]/T cm(exp 3) molecule(exp -1) sec(exp -1). The data for C2H with C2H4 and C2H6 indicate a negligible activation energy to product formation shown by the mild negative temperature dependence of both reactions. When the H2 data are plotted together with the most recent high-temperature results from 295 to 854 K, a slight curvature is observed. The H2 data can be fit to the non-Arrhenius form k(sub H2) = 9.2 x 10(exp -18) T(sup 2.17 +/- 0.50) exp[(-478 +/- 165)/T] cm(exp 3) molecules(exp -1) sec(exp -1). The curvature in the Arrhenius plot is discussed in terms of both quantum mechanical tunneling of the H atom from H2 to the C2H radical and bending mode contributions to the partition function.

  3. Comparing spatially varying coefficient models: a case study examining violent crime rates and their relationships to alcohol outlets and illegal drug arrests

    NASA Astrophysics Data System (ADS)

    Wheeler, David C.; Waller, Lance A.

    2009-03-01

    In this paper, we compare and contrast a Bayesian spatially varying coefficient process (SVCP) model with a geographically weighted regression (GWR) model for the estimation of the potentially spatially varying regression effects of alcohol outlets and illegal drug activity on violent crime in Houston, Texas. In addition, we focus on the inherent coefficient shrinkage properties of the Bayesian SVCP model as a way to address increased coefficient variance that follows from collinearity in GWR models. We outline the advantages of the Bayesian model in terms of reducing inflated coefficient variance, enhanced model flexibility, and more formal measuring of model uncertainty for prediction. We find spatially varying effects for alcohol outlets and drug violations, but the amount of variation depends on the type of model used. For the Bayesian model, this variation is controllable through the amount of prior influence placed on the variance of the coefficients. For example, the spatial pattern of coefficients is similar for the GWR and Bayesian models when a relatively large prior variance is used in the Bayesian model.

  4. Methyl-perfluoroheptene-ethers (CH3OC7F13): measured OH radical reaction rate coefficients for several isomers and enantiomers and their atmospheric lifetimes and global warming potentials.

    PubMed

    Jubb, Aaron M; Gierczak, Tomasz; Baasandorj, Munkhbayar; Waterland, Robert L; Burkholder, James B

    2014-05-06

    Mixtures of methyl-perfluoroheptene-ethers (CH3OC7F13, MPHEs) are currently in use as replacements for perfluorinated alkanes (PFCs) and poly-ether heat transfer fluids, which are persistent greenhouse gases with lifetimes >1000 years. At present, the atmospheric processing and environmental impact from the use of MPHEs is unknown. In this work, rate coefficients at 296 K for the gas-phase reaction of the OH radical with six key isomers (including stereoisomers and enantiomers) of MPHEs used commercially were measured using a relative rate method. Rate coefficients for the six MPHE isomers ranged from ∼ 0.1 to 2.9 × 10(-12) cm(3) molecule(-1) s(-1) with a strong stereoisomer and -OCH3 group position dependence; the (E)-stereoisomers with the -OCH3 group in an α- position relative to the double bond had the greatest reactivity. Rate coefficients measured for the d3-MPHE isomer analogues showed decreased reactivity consistent with a minor contribution of H atom abstraction from the -OCH3 group to the overall reactivity. Estimated atmospheric lifetimes for the MPHE isomers range from days to months. Atmospheric lifetimes, radiative efficiencies, and global warming potentials for these short-lived MPHE isomers were estimated based on the measured OH rate coefficients along with measured and theoretically calculated MPHE infrared absorption spectra. Our results highlight the importance of quantifying the atmospheric impact of individual components in an isomeric mixture.

  5. Noninvasive absolute cerebral oximetry with frequency-domain near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Hallacoglu, Bertan

    Near-infrared spectroscopy (NIRS) measurements of absolute concentrations of oxy-hemoglobin and deoxy-hemoglobin in the human brain can provide critical information about cerebral physiology in terms of cerebral blood volume, blood flow, oxygen delivery, and metabolic rate of oxygen. We developed several frequency domain NIRS data acquisition and analysis methods aimed at absolute measurements of hemoglobin concentration and saturation in cerebral tissue of adult human subjects. Extensive experimental investigations were carried out in various homogenous and two-layered tissue-mimicking phantoms, and biological tissues. The advantages and limitations of commonly used homogenous models and inversion strategies were thoroughly investigated. Prior to human subjects, extensive studies were carried out in in vivo animal models. In rabbits, absolute hemoglobin oxygen desaturation was shown to depend strongly on surgically induced testicular torsion. Methods developed in this study were then adapted for measurements in the rat brain. Absolute values were demonstrated to discern cerebrovascular impairment in a rat model of diet-induced vascular cognitive impairment. These results facilitated the development of clinically useful optical measures of cerebrovascular health. In a large group of human subjects, employing a homogeneous model for absolute measurements was shown to be reliable and robust. However, it was also shown to be limited due to the relatively thick extracerebral tissue. The procedure we develop in this work and the thesis thereof performs a nonlinear inversion procedure with six unknown parameters with no other prior knowledge for the retrieval of the optical coefficients and top layer thickness with high accuracy on two-layered media. Our absolute measurements of cerebral hemoglobin concentration and saturation are based on the discrimination of extracerebral and cerebral tissue layers, and they can enhance the impact of NIRS for cerebral hemodynamics and

  6. Weighted Wilcoxon-type Smoothly Clipped Absolute Deviation Method

    PubMed Central

    Wang, Lan; Li, Runze

    2009-01-01

    Summary Shrinkage-type variable selection procedures have recently seen increasing applications in biomedical research. However, their performance can be adversely influenced by outliers in either the response or the covariate space. This paper proposes a weighted Wilcoxon-type smoothly clipped absolute deviation (WW-SCAD) method, which deals with robust variable selection and robust estimation simultaneously. The new procedure can be conveniently implemented with the statistical software R. We establish that the WW-SCAD correctly identifies the set of zero coefficients with probability approaching one and estimates the nonzero coefficients with the rate n−1/2. Moreover, with appropriately chosen weights the WW-SCAD is robust with respect to outliers in both the x and y directions. The important special case with constant weights yields an oracle-type estimator with high efficiency at the presence of heavier-tailed random errors. The robustness of the WW-SCAD is partly justified by its asymptotic performance under local shrinking contamination. We propose a BIC-type tuning parameter selector for the WW-SCAD. The performance of the WW-SCAD is demonstrated via simulations and by an application to a study that investigates the effects of personal characteristics and dietary factors on plasma beta-carotene level. PMID:18647294

  7. Low temperature rate coefficients of the H + CH{sup +} → C{sup +} + H{sub 2} reaction: New potential energy surface and time-independent quantum scattering

    SciTech Connect

    Werfelli, Ghofran; Halvick, Philippe; Stoecklin, Thierry; Honvault, Pascal; Kerkeni, Boutheïna

    2015-09-21

    The observed abundances of the methylidyne cation, CH{sup +}, in diffuse molecular clouds can be two orders of magnitude higher than the prediction of the standard gas-phase models which, in turn, predict rather well the abundances of neutral CH. It is therefore necessary to investigate all the possible formation and destruction processes of CH{sup +} in the interstellar medium with the most abundant species H, H{sub 2}, and e{sup −}. In this work, we address the destruction process of CH{sup +} by hydrogen abstraction. We report a new calculation of the low temperature rate coefficients for the abstraction reaction, using accurate time-independent quantum scattering and a new high-level ab initio global potential energy surface including a realistic model of the long-range interaction between the reactants H and CH{sup +}. The calculated thermal rate coefficient is in good agreement with the experimental data in the range 50 K–800 K. However, at lower temperatures, the experimental rate coefficient takes exceedingly small values which are not reproduced by the calculated rate coefficient. Instead, the latter rate coefficient is close to the one given by the Langevin capture model, as expected for a reaction involving an ion and a neutral species. Several recent theoretical works have reported a seemingly good agreement with the experiment below 50 K, but an analysis of these works show that they are based on potential energy surfaces with incorrect long-range behavior. The experimental results were explained by a loss of reactivity of the lowest rotational states of the reactant; however, the quantum scattering calculations show the opposite, namely, a reactivity enhancement with rotational excitation.

  8. Diffusion coefficients significant in modeling the absorption rate of carbon dioxide into aqueous blends of N-methyldiethanolamine and diethanolamine and of hydrogen sulfide into aqueous N-methyldiethanolamine

    SciTech Connect

    Adams, M.E.; Marshall, T.L.; Rowley, R.L.

    1998-07-01

    Absorption rates of gaseous CO{sub 2} into aqueous blends of N-methyldiethanolamine (MDEA) and diethanolamine (DEA) and of gaseous H{sub 2}S into aqueous MDEA were measured in a quiescent, inverted-tube diffusiometer by monitoring the rate of pressure drop. A numerical model for absorption, diffusion, and reaction of CO{sub 2} and H{sub 2}S in blends of MDEA, DEA, and water was developed. The model was used to regress diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} for the case of CO{sub 2} absorption and of bisulfide ion for the case of H{sub 2}S absorption from measured absorption rates. CO{sub 2} absorption rates and diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} were obtained at 298.2 K and 318.2 K in aqueous solutions containing 50 mass % total amine at DEA:MDEA mole ratios of 1:20, 1:4, 1L3, and 2:3. H{sub 2}S absorption rates and diffusion coefficients of bisulfide ion were obtained at 298.2 K and 318.2 K in aqueous solutions containing 20, 35, and 50 mass % MDEA.

  9. Absolute Humidity and the Seasonality of Influenza (Invited)

    NASA Astrophysics Data System (ADS)

    Shaman, J. L.; Pitzer, V.; Viboud, C.; Grenfell, B.; Goldstein, E.; Lipsitch, M.

    2010-12-01

    Much of the observed wintertime increase of mortality in temperate regions is attributed to seasonal influenza. A recent re-analysis of laboratory experiments indicates that absolute humidity strongly modulates the airborne survival and transmission of the influenza virus. Here we show that the onset of increased wintertime influenza-related mortality in the United States is associated with anomalously low absolute humidity levels during the prior weeks. We then use an epidemiological model, in which observed absolute humidity conditions temper influenza transmission rates, to successfully simulate the seasonal cycle of observed influenza-related mortality. The model results indicate that direct modulation of influenza transmissibility by absolute humidity alone is sufficient to produce this observed seasonality. These findings provide epidemiological support for the hypothesis that absolute humidity drives seasonal variations of influenza transmission in temperate regions. In addition, we show that variations of the basic and effective reproductive numbers for influenza, caused by seasonal changes in absolute humidity, are consistent with the general timing of pandemic influenza outbreaks observed for 2009 A/H1N1 in temperate regions. Indeed, absolute humidity conditions correctly identify the region of the United States vulnerable to a third, wintertime wave of pandemic influenza. These findings suggest that the timing of pandemic influenza outbreaks is controlled by a combination of absolute humidity conditions, levels of susceptibility and changes in population mixing and contact rates.

  10. Distortion of bulk-ion distribution function due to nuclear elastic scattering and its effect on T(d,n){sup 4}He reaction rate coefficient in neutral-beam-injected deuterium-tritium plasmas

    SciTech Connect

    Matsuura, H.; Nakao, Y.

    2007-05-15

    An effect of nuclear elastic scattering on the rate coefficient of fusion reaction between field deuteron and triton in the presence of neutral beam injection heating is studied. Without assuming a Maxwellian for bulk-ion distribution function, the Boltzmann-Fokker-Planck (BFP) equations for field (bulk) deuteron, field (bulk) triton, {alpha}-particle, and beam deuteron are simultaneously solved in an ITER-like deuterium-tritium thermonuclear plasma [R. Aymar, Fusion Eng. Des. 55, 107 (2001)]. The BFP calculation shows that enhancement of the reaction rate coefficient due to knock-on tail formation in fuel-ion distribution functions becomes appreciable, especially in the case of low-density operations.

  11. Calculation of State Specific Rate Coefficients for Non-Equilibrium Hypersonics Applications: from H(Psi) = E(Psi) to k(T) = A *exp(-E(sub a)/RT)

    NASA Technical Reports Server (NTRS)

    Jaffe, Richard; Schwenke, David; Chaban, Galina; Panesi, Marco

    2014-01-01

    Development of High-Fidelity Physics-Based Models to describe hypersonic flight through the atmospheres of Earth and Mars is underway at NASA Ames Research Center. The goal is to construct chemistry models of the collisional and radiative processes that occur in the bow shock and boundary layers of spacecraft during atmospheric entry that are free of empiricism. In this talk I will discuss our philosophy and describe some of our progress. Topics to be covered include thermochemistry, internal energy relaxation, collisional dissociation and radiative emission and absorption. For this work we start by solving the Schrodinger equation to obtain accurate interaction potentials and radiative properties. Then we invoke classical mechanics to compute state-specific heavy particle collision cross sections and reaction rate coefficients. Finally, phenomenological rate coefficients and relaxation times are determined from master equation solutions.

  12. Rate coefficients at 298 K and 1 atm for the tropospheric degradation of a series of C6, C7 and C8 biogenic unsaturated alcohols initiated by Cl atoms

    NASA Astrophysics Data System (ADS)

    Gibilisco, Rodrigo G.; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; Teruel, Mariano A.

    2014-09-01

    Rate coefficients for the gas-phase reactions of Cl atoms with a series of unsaturated biogenic alcohols at 298 ± 3 K and 1 atm have been measured by the relative technique in an environmental chamber with in situ FTIR detection of reactants. The rate coefficients obtained using 1-butene and isobutene as reference compounds were (in units of 10-10 cm3 molecule-1 s-1): k1((E)-2-hexen-1-ol) = (3.49 ± 0.82), k2((E)-3-hexen-1-ol) = (3.42 ± 0.79), k3 ((Z)-3-hexen-1-ol) = (2.94 ± 0.72), k4((Z)-3-hepten-1-ol) = (3.80 ± 0.86) and k5((Z)-3-octen-1-ol) = (4.13 ± 0.68). This work constitutes the first kinetic study of the reactions cited above. The rate coefficients are compared with those for other unsaturated alcohols and a correlation between the reactivity of unsaturated alcohols toward Cl atoms and the energy of the HOMO of the unsaturated alcohols is presented. Based on the obtained results, the atmospheric lifetimes of the unsaturated alcohols have been estimated and possible atmospheric implications assessed.

  13. On the emission coefficient of uranium plasmas.

    NASA Technical Reports Server (NTRS)

    Schneider, R. T.; Campbell, H. D.; Mack, J. M.

    1973-01-01

    The emission coefficient for uranium plasmas (temperature: 8000 K) was measured for the wavelength range from 1200 to 6000 A. The results were compared to theoretical calculations and other measurements. Reasonable agreement between theoretical predictions and our measurements was found in the region from 1200 to 2000 A. Although it was difficult to make absolute comparisons among the different reported measurements, considerable disagreement was found for the higher wavelength region. A short discussion regarding the overall comparisons is given, and final suggestions are made as to the most appropriate emission coefficient values to be used in future design calculations. The absorption coefficient for the same wavelength interval is also reported.

  14. Database applicaton for absolute spectrophotometry

    NASA Astrophysics Data System (ADS)

    Bochkov, Valery V.; Shumko, Sergiy

    2002-12-01

    32-bit database application with multidocument interface for Windows has been developed to calculate absolute energy distributions of observed spectra. The original database contains wavelength calibrated observed spectra which had been already passed through apparatus reductions such as flatfielding, background and apparatus noise subtracting. Absolute energy distributions of observed spectra are defined in unique scale by means of registering them simultaneously with artificial intensity standard. Observations of sequence of spectrophotometric standards are used to define absolute energy of the artificial standard. Observations of spectrophotometric standards are used to define optical extinction in selected moments. FFT algorithm implemented in the application allows performing convolution (deconvolution) spectra with user-defined PSF. The object-oriented interface has been created using facilities of C++ libraries. Client/server model with Windows Socket functionality based on TCP/IP protocol is used to develop the application. It supports Dynamic Data Exchange conversation in server mode and uses Microsoft Exchange communication facilities.

  15. Atomic data from the iron project. 3: Rate coefficients for electron impact excitation of boron-like ions: Ne VI, Mg VIII, Al IX, Si X, S XII, Ar XIV, Ca XVI and Fe XXII

    NASA Technical Reports Server (NTRS)

    Zhang, Hong Lin; Graziani, Mark; Pradhan, Anil K.

    1994-01-01

    Collison strengths and maxwellian averaged rate coefficients have been calculated for the 105 transitions among all 15 fine structure levels of the 8 LS terms 2s(sup 2) 2 P(P-2(sup 0 sub 1/, 3/2)), 2s2p(sup 2)(P-4(sub 1/2,3/2,5/2), D-2(sub 3/2, 5/2), S-2(sub 1/2), P-2(sub 1/2, 3/2)), 2p(sup 3)(S-4(sup 0)(sub 3/2), D-2(sup 0 sub 3/2, 5/2), P-2(sup 0 sub 1/2, 3/2)) in highly- charged B-like Ne, Mg, Al, Si, S, Ar, Ca and Fe. Rate coefficients have been tabulated at a wide range of temperatures, depending on the ion charge and abundance in plasma sources. Earlier work for O IV has also been extended to include the high temperature range. A brief discussion of the calculations, sample results, and comparison with earlier works is also given. While much of the new data should be applicable to UV spectral diagnostics, the new rates for the important ground state fine structure transition P-2(sup 0 sub 1/2)-P-2(sup 0 sub 3/2) should result in significant revision of the IR cooling rates in plasmas where B-like ions are prominent constituents, since the new rate coefficients are generally higher by several factors compared with the older data.

  16. Absolute classification with unsupervised clustering

    NASA Technical Reports Server (NTRS)

    Jeon, Byeungwoo; Landgrebe, D. A.

    1992-01-01

    An absolute classification algorithm is proposed in which the class definition through training samples or otherwise is required only for a particular class of interest. The absolute classification is considered as a problem of unsupervised clustering when one cluster is known initially. The definitions and statistics of the other classes are automatically developed through the weighted unsupervised clustering procedure, which is developed to keep the cluster corresponding to the class of interest from losing its identity as the class of interest. Once all the classes are developed, a conventional relative classifier such as the maximum-likelihood classifier is used in the classification.

  17. Communication: Rate coefficients of the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction from ring polymer molecular dynamics on a highly accurate potential energy surface

    SciTech Connect

    Meng, Qingyong Chen, Jun Zhang, Dong H.

    2015-09-14

    The ring polymer molecular dynamics (RPMD) calculations are performed to calculate rate constants for the title reaction on the recently constructed potential energy surface based on permutation invariant polynomial (PIP) neural-network (NN) fitting [J. Li et al., J. Chem. Phys. 142, 204302 (2015)]. By inspecting convergence, 16 beads are used in computing free-energy barriers at 300 K ≤ T ≤ 1000 K, while different numbers of beads are used for transmission coefficients. The present RPMD rates are in excellent agreement with quantum rates computed on the same potential energy surface, as well as with the experimental measurements, demonstrating further that the RPMD is capable of producing accurate rates for polyatomic chemical reactions even at rather low temperatures.

  18. CAN WE DETERMINE PENETRATION COEFFICIENTS AND DEPOSITION RATES FROM FIELD STUDIES? RESULTS OF A 37-PERSON PANEL STUDY IN NORTH CAROLINA

    EPA Science Inventory

    The contribution of outdoor particles to indoor concentrations is governed by three physical processes: air exchange, penetration, and deposition. Air exchange rates can be measured during field studies, but the other two parameters must be estimated. Over the past few years,...

  19. Robust control design with real parameter uncertainty using absolute stability theory. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    How, Jonathan P.; Hall, Steven R.

    1993-01-01

    The purpose of this thesis is to investigate an extension of mu theory for robust control design by considering systems with linear and nonlinear real parameter uncertainties. In the process, explicit connections are made between mixed mu and absolute stability theory. In particular, it is shown that the upper bounds for mixed mu are a generalization of results from absolute stability theory. Both state space and frequency domain criteria are developed for several nonlinearities and stability multipliers using the wealth of literature on absolute stability theory and the concepts of supply rates and storage functions. The state space conditions are expressed in terms of Riccati equations and parameter-dependent Lyapunov functions. For controller synthesis, these stability conditions are used to form an overbound of the H2 performance objective. A geometric interpretation of the equivalent frequency domain criteria in terms of off-axis circles clarifies the important role of the multiplier and shows that both the magnitude and phase of the uncertainty are considered. A numerical algorithm is developed to design robust controllers that minimize the bound on an H2 cost functional and satisfy an analysis test based on the Popov stability multiplier. The controller and multiplier coefficients are optimized simultaneously, which avoids the iteration and curve-fitting procedures required by the D-K procedure of mu synthesis. Several benchmark problems and experiments on the Middeck Active Control Experiment at M.I.T. demonstrate that these controllers achieve good robust performance and guaranteed stability bounds.

  20. Absolute transition probabilities of phosphorus.

    NASA Technical Reports Server (NTRS)

    Miller, M. H.; Roig, R. A.; Bengtson, R. D.

    1971-01-01

    Use of a gas-driven shock tube to measure the absolute strengths of 21 P I lines and 126 P II lines (from 3300 to 6900 A). Accuracy for prominent, isolated neutral and ionic lines is estimated to be 28 to 40% and 18 to 30%, respectively. The data and the corresponding theoretical predictions are examined for conformity with the sum rules.-

  1. Relativistic Absolutism in Moral Education.

    ERIC Educational Resources Information Center

    Vogt, W. Paul

    1982-01-01

    Discusses Emile Durkheim's "Moral Education: A Study in the Theory and Application of the Sociology of Education," which holds that morally healthy societies may vary in culture and organization but must possess absolute rules of moral behavior. Compares this moral theory with current theory and practice of American educators. (MJL)

  2. Absolute Standards for Climate Measurements

    NASA Astrophysics Data System (ADS)

    Leckey, J.

    2016-10-01

    In a world of changing climate, political uncertainty, and ever-changing budgets, the benefit of measurements traceable to SI standards increases by the day. To truly resolve climate change trends on a decadal time scale, on-orbit measurements need to be referenced to something that is both absolute and unchanging. One such mission is the Climate Absolute Radiance and Refractivity Observatory (CLARREO) that will measure a variety of climate variables with an unprecedented accuracy to definitively quantify climate change. In the CLARREO mission, we will utilize phase change cells in which a material is melted to calibrate the temperature of a blackbody that can then be observed by a spectrometer. A material's melting point is an unchanging physical constant that, through a series of transfers, can ultimately calibrate a spectrometer on an absolute scale. CLARREO consists of two primary instruments: an infrared (IR) spectrometer and a reflected solar (RS) spectrometer. The mission will contain orbiting radiometers with sufficient accuracy to calibrate other space-based instrumentation and thus transferring the absolute traceability. The status of various mission options will be presented.

  3. Temperature and pressure dependent rate coefficients for the reaction of C2H4 + HO2 on the C2H4O2H potential energy surface.

    PubMed

    Guo, JunJiang; Xu, JiaQi; Li, ZeRong; Tan, NingXin; Li, XiangYuan

    2015-04-02

    The potential energy surface (PES) for reaction C2H4 + HO2 was examined by using the quantum chemical methods. All rates were determined computationally using the CBS-QB3 composite method combined with conventional transition state theory(TST), variational transition-state theory (VTST) and Rice-Ramsberger-Kassel-Marcus/master-equation (RRKM/ME) theory. The geometries optimization and the vibrational frequency analysis of reactants, transition states, and products were performed at the B3LYP/CBSB7 level. The composite CBS-QB3 method was applied for energy calculations. The major product channel of reaction C2H4 + HO2 is the formation C2H4O2H via an OH(···)π complex with 3.7 kcal/mol binding energy which exhibits negative-temperature dependence. We further investigated the reactions related to this complex, which were ignored in previous studies. Thermochemical properties of the species involved in the reactions were determined using the CBS-QB3 method, and enthalpies of formation of species were compared with literature values. The calculated rate constants are in good agreement with those available from literature and given in modified Arrhenius equation form, which are serviceable in combustion modeling of hydrocarbons. Finally, in order to illustrate the effect for low-temperature ignition of our new rate constants, we have implemented them into the existing mechanisms, which can predict ethylene ignition in a shock tube with better performance.

  4. Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether

    NASA Astrophysics Data System (ADS)

    Meng, Qingyong; Chen, Jun

    2017-01-01

    To accurately compute the rates of the abstraction channels of hydrogen plus ethane (Et), propane (Pr), and dimethyl ether (DME), ring-polymer molecular dynamics (RPMD) method is used in conjunction with the recently constructed local permutation invariant polynomial neural-networks potential energy surface of the parent H + CH4 system [Q. Meng et al., J. Chem. Phys. 144, 154312 (2016)]. For H + Et, one of the H atoms in CH4 of the parent system is replaced by a methyl group, while for the H + DME reaction, it is replaced by the methoxyl group. For the H + Pr reaction, replacing one of the H atoms in CH4 by an ethyl group, the terminal channel is built, meanwhile the middle channel is considered through replacing two H atoms in CH4 by two methyl groups. Since the potential energy barriers of the title reactions must differ from the H + CH4 barrier, the corrections have to be made by computing the ratio of free-energy barriers between H + CH4 and the title reactions at coupled cluster with a full treatment singles and doubles (where the triples contribution is calculated by perturbation theory, that is, CCSD(T)) level. Comparing the present RPMD rates with the previous theoretical and experimental results, good agreement can be found. Moreover, probable reasons for the deviation between the present RPMD rates and the previous experimental ones are discussed.

  5. An agreement coefficient for image comparison

    USGS Publications Warehouse

    Ji, L.; Gallo, K.

    2006-01-01

    Combination of datasets acquired from different sensor systems is necessary to construct a long time-series dataset for remotely sensed land-surface variables. Assessment of the agreement of the data derived from various sources is an important issue in understanding the data continuity through the time-series. Some traditional measures, including correlation coefficient, coefficient of determination, mean absolute error, and root mean square error, are not always optimal for evaluating the data agreement. For this reason, we developed a new agreement coefficient for comparing two different images. The agreement coefficient has the following properties: non-dimensional, bounded, symmetric, and distinguishable between systematic and unsystematic differences. The paper provides examples of agreement analyses for hypothetical data and actual remotely sensed data. The results demonstrate that the agreement coefficient does include the above properties, and therefore is a useful tool for image comparison. ?? 2006 American Society for Photogrammetry and Remote Sensing.

  6. Relative and absolute reliability of measures of linoleic acid-derived oxylipins in human plasma.

    PubMed

    Gouveia-Figueira, Sandra; Bosson, Jenny A; Unosson, Jon; Behndig, Annelie F; Nording, Malin L; Fowler, Christopher J

    2015-09-01

    Modern analytical techniques allow for the measurement of oxylipins derived from linoleic acid in biological samples. Most validatory work has concerned extraction techniques, repeated analysis of aliquots from the same biological sample, and the influence of external factors such as diet and heparin treatment upon their levels, whereas less is known about the relative and absolute reliability of measurements undertaken on different days. A cohort of nineteen healthy males were used, where samples were taken at the same time of day on two occasions, at least 7 days apart. Relative reliability was assessed using Lin's concordance correlation coefficients (CCC) and intraclass correlation coefficients (ICC). Absolute reliability was assessed by Bland-Altman analyses. Nine linoleic acid oxylipins were investigated. ICC and CCC values ranged from acceptable (0.56 [13-HODE]) to poor (near zero [9(10)- and 12(13)-EpOME]). Bland-Altman limits of agreement were in general quite wide, ranging from ±0.5 (12,13-DiHOME) to ±2 (9(10)-EpOME; log10 scale). It is concluded that relative reliability of linoleic acid-derived oxylipins varies between lipids with compounds such as the HODEs showing better relative reliability than compounds such as the EpOMEs. These differences should be kept in mind when designing and interpreting experiments correlating plasma levels of these lipids with factors such as age, body mass index, rating scales etc.

  7. Extracting the Asymptotic Normalization Coefficients in Neutron Transfer Reactions to Determine the Astrophysical Reaction Rates for {sup 22}Mg(p,{gamma}){sup 23}Al and {sup 17}F(p,{gamma}){sup 18}Ne

    SciTech Connect

    Al-Abdullah, T.; Chen, X.; Clark, H.; Fu, C.; Gagliardi, C. A.; Lui, Y.-W.; Mukhamedzhanov, A. M.; Tabacaru, G.; Tokimoto, Y.; Trache, L.; Tribble, R. E.; Zhai, Y.; Carstoiu, F.

    2008-01-24

    It was expected that {gamma} rays from {sup 18}F and {sup 22}Na would be observed in massive One novae, but neither has been to date. The {sup 17}F(p,{gamma}){sup 18}Ne and {sup 22}Mg(p,{gamma}){sup 23}Al reactions may play important roles in the production and destruction of {sup 18}F and {sup 22}Na. We have determined the asymptotic normalization coefficients for {sup 18}Ne and {sup 23}Al through measurements of peripheral neutron transfer reactions in the mirror nuclear systems. We use the ANCs to calculate the astrophysical S-factors and reaction rates for these two reactions.

  8. Absolute calibration of optical flats

    DOEpatents

    Sommargren, Gary E.

    2005-04-05

    The invention uses the phase shifting diffraction interferometer (PSDI) to provide a true point-by-point measurement of absolute flatness over the surface of optical flats. Beams exiting the fiber optics in a PSDI have perfect spherical wavefronts. The measurement beam is reflected from the optical flat and passed through an auxiliary optic to then be combined with the reference beam on a CCD. The combined beams include phase errors due to both the optic under test and the auxiliary optic. Standard phase extraction algorithms are used to calculate this combined phase error. The optical flat is then removed from the system and the measurement fiber is moved to recombine the two beams. The newly combined beams include only the phase errors due to the auxiliary optic. When the second phase measurement is subtracted from the first phase measurement, the absolute phase error of the optical flat is obtained.

  9. The Absolute Spectrum Polarimeter (ASP)

    NASA Technical Reports Server (NTRS)

    Kogut, A. J.

    2010-01-01

    The Absolute Spectrum Polarimeter (ASP) is an Explorer-class mission to map the absolute intensity and linear polarization of the cosmic microwave background and diffuse astrophysical foregrounds over the full sky from 30 GHz to 5 THz. The principal science goal is the detection and characterization of linear polarization from an inflationary epoch in the early universe, with tensor-to-scalar ratio r much greater than 1O(raised to the power of { -3}) and Compton distortion y < 10 (raised to the power of{-6}). We describe the ASP instrument and mission architecture needed to detect the signature of an inflationary epoch in the early universe using only 4 semiconductor bolometers.

  10. Physics of negative absolute temperatures

    NASA Astrophysics Data System (ADS)

    Abraham, Eitan; Penrose, Oliver

    2017-01-01

    Negative absolute temperatures were introduced into experimental physics by Purcell and Pound, who successfully applied this concept to nuclear spins; nevertheless, the concept has proved controversial: a recent article aroused considerable interest by its claim, based on a classical entropy formula (the "volume entropy") due to Gibbs, that negative temperatures violated basic principles of statistical thermodynamics. Here we give a thermodynamic analysis that confirms the negative-temperature interpretation of the Purcell-Pound experiments. We also examine the principal arguments that have been advanced against the negative temperature concept; we find that these arguments are not logically compelling, and moreover that the underlying "volume" entropy formula leads to predictions inconsistent with existing experimental results on nuclear spins. We conclude that, despite the counterarguments, negative absolute temperatures make good theoretical sense and did occur in the experiments designed to produce them.

  11. Low temperature rate coefficients for the reactions of 1CH2 with reactive and non-reactive species, and the implications for Titan's atmosphere

    NASA Astrophysics Data System (ADS)

    Douglas, Kevin; Slater, Eloise; Blitz, Mark; Plane, John; Heard, Dwayne; Seakins, Paul

    2016-04-01

    The Cassini-Huygens mission to Titan revealed unexpectedly large amounts of benzene in the troposphere, and confirmed the absence of a global ethane ocean as predicted by photochemical models of methane conversion over the lifetime of the solar system. An important chemical intermediate in both the production and loss of benzene and ethane is the first electronically excited state of methylene, 1CH2. For example, at room temperature an important reaction of 1CH2 is with acetylene (R1a), leading to the formation of propargyl (C3H3)[1]. The subsequent recombination of propargyl radicals is the major suggested route to benzene in Titan's atmosphere (R2)[2]. In addition to reaction of 1CH2 leading to products, there is also competition between inelastic electronic relaxation to form the ground triplet state 3CH2 (R1b). This ground state 3CH2 has a markedly different reactivity to the singlet, reacting primarily with methyl radicals (CH3) to form ethene (R3). As methyl radical recombination is the primary route to ethane (R4)[3], reactions of 1CH2 will also heavily influence the ethane budget on Titan. 1CH2 + C2H2 → C3H3 + H (R1a) 1CH2 + C2H2 → 3CH2 + C2H2 (R1b) C3H3 + C3H3 → C6H6 (R2) 3CH2 + CH3 → C2H4 + H (R3) CH3 + CH3 (+ M) → C2H6 (R4) Thus this competition between chemical reaction and electronic relaxation in the reactions of 1CH2 with H2, CH4, C2H4, and C2H6 will play an important role in determining the benzene and ethane budgets on Titan. Despite this there are no measurements of any rate constants for 1CH2 at temperatures relevant to Titan's atmosphere (60 - 170 K). Using a pulsed Laval nozzle apparatus coupled with pulsed laser photolysis laser-induced fluorescence, the low temperature reaction kinetics for the removal of 1CH2 with nitrogen, hydrogen, methane, ethane, ethene, acetylene, and oxygen, have been studied. The results revealed an increase in the removal rate of 1CH2 at temperatures below 200 K, with a sharp increase of around a factor of

  12. Factor Scores, Structure Coefficients, and Communality Coefficients

    ERIC Educational Resources Information Center

    Goodwyn, Fara

    2012-01-01

    This paper presents heuristic explanations of factor scores, structure coefficients, and communality coefficients. Common misconceptions regarding these topics are clarified. In addition, (a) the regression (b) Bartlett, (c) Anderson-Rubin, and (d) Thompson methods for calculating factor scores are reviewed. Syntax necessary to execute all four…

  13. Dynamical Correction of Thermoelectric Coefficients for Strongly Interacting Electrons in the Coulomb Blockade Regime

    NASA Astrophysics Data System (ADS)

    Yang, Kaike

    FOR MOLECULES WEAKLY COUPLED TO LEADS THE EXACT ZERO-BIAS KOHN-SHAM CONDUCTANCE CAN BE ORDERS OF MAGNITUDE LARGER THAN THE TRUE CONDUCTANCE DUE TO THE LACK OF DYNAMICAL EXCHANGE-CORRELATION (XC) EFFECTS. RECENTLY, IT HAS BEEN SHOWN HOW THESE DYNAMICAL XC CORRECTIONS CAN BE CALCULATED USING ONLY QUANTITIES OBTAINED FROM STATIC DENSITY FUNCTIONAL THEORY. HERE, WE INVESTIGATE THE THERMOELECTRIC TRANSPORT AND DERIVE THE XC CORRECTION TO THE SEEBECK COEFFICIENT. WE FIND THAT THE DYNAMICAL CORRECTION TO THE SEEBECK COEFFICIENT IS DETERMINANT IN EVALUATING THE THERMOPOWER: THE ABSOLUTE VALUE OF THE DYNAMICAL CORRECTION FOR THE SEEBECK COEFFICIENT IS, FOR CERTAIN VALUES OF GATE VOLTAGE, MUCH LARGER THAN THAT OF THE KOHN-SHAM TERM. FINALLY, WE COMPARE OUR DENSITY FUNCTIONAL CALCULATIONS TO THE RATE EQUATION AND THE EXPERIMENTAL RESULTS

  14. C2H2 absolutely optical frequency-stabilized and 40 GHz repetition-rate-stabilized, regeneratively mode-locked picosecond erbium fiber laser at 1.53 microm.

    PubMed

    Nakazawa, Masataka; Kasai, Keisuke; Yoshida, Masato

    2008-11-15

    We have succeeded in the simultaneous stabilization of the optical frequency and repetition rate of a regeneratively mode-locked picosecond erbium-doped fiber ring laser. The optical frequency was locked to the molecular absorption of C2H2 in the 1.5 microm band, and the repetition rate was stabilized to a 40 GHz synthesizer by using a microwave phase-locked loop. The optical frequency stability of the pulse train reached 2x10(-11) for tau=10-100 s. The key to success is the independent control of the repetition rate without disturbing the optical cavity condition.

  15. Absolute calibration of optical tweezers

    SciTech Connect

    Viana, N.B.; Mazolli, A.; Maia Neto, P.A.; Nussenzveig, H.M.; Rocha, M.S.; Mesquita, O.N.

    2006-03-27

    As a step toward absolute calibration of optical tweezers, a first-principles theory of trapping forces with no adjustable parameters, corrected for spherical aberration, is experimentally tested. Employing two very different setups, we find generally very good agreement for the transverse trap stiffness as a function of microsphere radius for a broad range of radii, including the values employed in practice, and at different sample chamber depths. The domain of validity of the WKB ('geometrical optics') approximation to the theory is verified. Theoretical predictions for the trapping threshold, peak position, depth variation, multiple equilibria, and 'jump' effects are also confirmed.

  16. Dissociative Recombination and Excitation of CH+5: Absolute Cross Sections and Branching Fractions

    NASA Astrophysics Data System (ADS)

    Semaniak, J.; Larson, Å.; Le Padellec, A.; Strömholm, C.; Larsson, M.; Rosén, S.; Peverall, R.; Danared, H.; Djuric, N.; Dunn, G. H.; Datz, S.

    1998-05-01

    The heavy-ion storage ring CRYRING was used to measure the absolute dissociative recombination and dissociative excitation cross sections for collision energies below 50 eV. Deduced thermal rates coefficients are consistent with previous beams data but are lower by a factor of 3 than the rates measured by means of the flowing afterglow Langmuir probe technique. A resonant structure in dissociative recombination cross section was found at 9 eV. We have determined the branching fractions in DR of CH+5 below 0.2 eV. The branching is dominated by three-body CH3 + H + H and CH2 + H2 + H dissociation channels, which occur with branching ratios of ~0.7 and ~0.2, respectively; thus methane is a minor species among dissociation products. Both the measured absolute cross sections and branching in dissociative recombination of CH+5 can have important implications for the models of dense interstellar clouds and abundance of CH2, CH3 and CH4 in these media.

  17. A theoretical study of the mechanism of the atmospherically relevant reaction of chlorine atoms with methyl nitrate, and calculation of the reaction rate coefficients at temperatures relevant to the troposphere.

    PubMed

    Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

    2015-03-21

    The reaction between atomic chlorine (Cl) and methyl nitrate (CH3ONO2) is significant in the atmosphere, as Cl is a key oxidant, especially in the marine boundary layer, and alkyl nitrates are important nitrogen-containing organic compounds, which are temporary reservoirs of the reactive nitrogen oxides NO, NO2 and NO3 (NOx). Four reaction channels HCl + CH2ONO2, CH3OCl + NO2, CH3Cl + NO3 and CH3O + ClNO2 were considered. The major channel is found to be the H abstraction channel, to give the products HCl + CH2ONO2. For all channels, geometry optimization and frequency calculations were carried out at the M06-2X/6-31+G** level, while relative electronic energies were improved to the UCCSD(T*)-F12/CBS level. The reaction barrier (ΔE(‡)0K) and reaction enthalpy (ΔH(RX)298K) of the H abstraction channel were computed to be 0.61 and -2.30 kcal mol(-1), respectively, at the UCCSD(T*)-F12/CBS//M06-2X/6-31+G** level. Reaction barriers (ΔE(‡)0K) for the other channels are more positive and these pathways do not contribute to the overall reaction rate coefficient in the temperature range considered (200-400 K). Rate coefficients were calculated for the H-abstraction channel at various levels of variational transition state theory (VTST) including tunnelling. Recommended ICVT/SCT rate coefficients in the temperature range 200-400 K are presented for the first time for this reaction. The values obtained in the 200-300 K region are particularly important as they will be valuable for atmospheric modelling calculations involving reactions with methyl nitrate. The implications of the results to atmospheric chemistry are discussed. Also, the enthalpies of formation, ΔHf,298K, of CH3ONO2 and CH2ONO2 were computed to be -29.7 and 19.3 kcal mol(-1), respectively, at the UCCSD(T*)-F12/CBS level.

  18. Stationary afterglow measurements of the temperature dependence of the electron–ion recombination rate coefficients of {{\\rm{H}}}_{2}{{\\rm{D}}}^{+} and {{HD}}_{2}^{+} in He/Ar/H2/D2 gas mixtures at T = 80–145 K 

    NASA Astrophysics Data System (ADS)

    Plašil, Radek; Dohnal, Petr; Kálosi, Ábel; Roučka, Štěpán; Johnsen, Rainer; Glosík, Juraj

    2017-03-01

    We report measurements of the binary and ternary recombination rate coefficients of deuterated isotopologues of {{{H}}}3+. A cavity ring-down absorption spectrometer was used to monitor the fractional abundances of {{{H}}}3+, {{{H}}}2{{{D}}}+, {{HD}}2+ and {{{D}}}3+ during the decay of a plasma in He/Ar/{{{H}}}2/{{{D}}}2 mixtures. A dependence of the measured effective recombination rate coefficients on the helium buffer gas density was observed and hence both the binary and the ternary recombination rate coefficients for {{{H}}}2{{{D}}}+ and {{HD}}2+ were obtained in the temperature range 80–145 K.

  19. The absolute threshold of cone vision

    PubMed Central

    Koeing, Darran; Hofer, Heidi

    2013-01-01

    We report measurements of the absolute threshold of cone vision, which has been previously underestimated due to sub-optimal conditions or overly strict subjective response criteria. We avoided these limitations by using optimized stimuli and experimental conditions while having subjects respond within a rating scale framework. Small (1′ fwhm), brief (34 msec), monochromatic (550 nm) stimuli were foveally presented at multiple intensities in dark-adapted retina for 5 subjects. For comparison, 4 subjects underwent similar testing with rod-optimized stimuli. Cone absolute threshold, that is, the minimum light energy for which subjects were just able to detect a visual stimulus with any response criterion, was 203 ± 38 photons at the cornea, ∼0.47 log units lower than previously reported. Two-alternative forced-choice measurements in a subset of subjects yielded consistent results. Cone thresholds were less responsive to criterion changes than rod thresholds, suggesting a limit to the stimulus information recoverable from the cone mosaic in addition to the limit imposed by Poisson noise. Results were consistent with expectations for detection in the face of stimulus uncertainty. We discuss implications of these findings for modeling the first stages of human cone vision and interpreting psychophysical data acquired with adaptive optics at the spatial scale of the receptor mosaic. PMID:21270115

  20. Age and forgetfulness: absolute versus comparison decisions about capability.

    PubMed

    Erber, J T; Prager, I G

    1997-01-01

    Perceivers were assigned to one of two decision conditions. In an absolute decision condition, perceivers rated how likely they would be to allow a young or old highly forgetful, slightly forgetful, or nonforgetful target to perform a challenging task. In a comparison decision condition, perceivers rated two targets, one young and one old, who had a similar level of forgetfulness. Separate Decision Type x Target Forgetfulness analyses of variance were conducted on ratings of the two target age groups. Young targets received higher ratings in the comparison than in the absolute condition, whereas old targets were rated the same in the two conditions. There was some preference for young targets in a comparison situation, but it was concluded that forgetfulness was a more important factor than age in perceivers' ratings.

  1. Absolute flux measurements for swift atoms

    NASA Technical Reports Server (NTRS)

    Fink, M.; Kohl, D. A.; Keto, J. W.; Antoniewicz, P.

    1987-01-01

    While a torsion balance in vacuum can easily measure the momentum transfer from a gas beam impinging on a surface attached to the balance, this measurement depends on the accommodation coefficients of the atoms with the surface and the distribution of the recoil. A torsion balance is described for making absolute flux measurements independent of recoil effects. The torsion balance is a conventional taut suspension wire design and the Young modulus of the wire determines the relationship between the displacement and the applied torque. A compensating magnetic field is applied to maintain zero displacement and provide critical damping. The unique feature is to couple the impinging gas beam to the torsion balance via a Wood's horn, i.e., a thin wall tube with a gradual 90 deg bend. Just as light is trapped in a Wood's horn by specular reflection from the curved surfaces, the gas beam diffuses through the tube. Instead of trapping the beam, the end of the tube is open so that the atoms exit the tube at 90 deg to their original direction. Therefore, all of the forward momentum of the gas beam is transferred to the torsion balance independent of the angle of reflection from the surfaces inside the tube.

  2. Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H{sub 2}) → HX + H(X = C({sup 1}D), S({sup 1}D))

    SciTech Connect

    Suleimanov, Yury V.; Kong, Wendi J.; Green, William H.; Guo, Hua

    2014-12-28

    Following our previous study of prototypical insertion reactions of energetically asymmetric type with the RPMD (Ring-Polymer Molecular Dynamics) method [Y. Li, Y. Suleimanov, and H. Guo, J. Phys. Chem. Lett. 5, 700 (2014)], we extend it to two other prototypical insertion reactions with much less exothermicity (near thermoneutral), namely, X + H{sub 2} → HX + H where X = C({sup 1}D), S({sup 1}D), in order to assess the accuracy of this method for calculating thermal rate coefficients for this class of reactions. For both chemical reactions, RPMD displays remarkable accuracy and agreement with the previous quantum dynamic results that make it encouraging for the future application of the RPMD to other barrier-less, complex-forming reactions involving polyatomic reactants with any exothermicity.

  3. Ring-polymer molecular dynamics: rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D)).

    PubMed

    Suleimanov, Yury V; Kong, Wendi J; Guo, Hua; Green, William H

    2014-12-28

    Following our previous study of prototypical insertion reactions of energetically asymmetric type with the RPMD (Ring-Polymer Molecular Dynamics) method [Y. Li, Y. Suleimanov, and H. Guo, J. Phys. Chem. Lett. 5, 700 (2014)], we extend it to two other prototypical insertion reactions with much less exothermicity (near thermoneutral), namely, X + H2 → HX + H where X = C((1)D), S((1)D), in order to assess the accuracy of this method for calculating thermal rate coefficients for this class of reactions. For both chemical reactions, RPMD displays remarkable accuracy and agreement with the previous quantum dynamic results that make it encouraging for the future application of the RPMD to other barrier-less, complex-forming reactions involving polyatomic reactants with any exothermicity.

  4. Reinvestigation of the laser-initiated Cl/sub 2//HBr chain reaction: absolute rate constants and the v = 2/v = 1 ratio from Cl + HBr. -->. HCl(v) + Br

    SciTech Connect

    Dolson, D.A.; Leone, S.R.

    1987-06-18

    The Cl/sub 2//HBr chain reaction is reinvestigated by using real time state-selected observations of ..delta..v = -1 chemiluminescence from the HCl(V) products following pulsed laser photolysis of Cl/sub 2/. These state-selected observations are analyzed with a more complete kinetic treatment to obtain room temperature rate constants for the chain propagation steps and the vibrational deactivation of HCl(V = 1,2) by HBr. The chain propagation rate constants are k/sub R1/ = (1.02 +/- 0.15) x 10/sup -11/ and k/sub R2/ = (1.1 +/- 0.4) x 10/sup -15/ cm/sup 3/ molecule/sup -1/ s/sup -1/, respectively, for Cl + HBr ..-->../sup kR1/ HCl(v) + Br and Br + Cl/sub 2/ ..-->../sup kR2/ BrCl + Cl. Rate constants for vibrational deactivation of HCl(v=1) and HCl(v=2) by HBr are k/sub V1/ = (1.06 +/- 0.16) x 10/sup -12/ and k/sub V2/ = (2.09 +/- 0.50) x 10/sup -12/ cm/sup 3/ molecule/sup -1/ s/sup -1/. Relative intensity measurements of the HCl v = 2 ..-->.. 1 and 1 ..-->.. 0 vibrational fluorescence are used to obtain an HCl(v) product branching ratio, N/sub v=2//N/sub v=1/ = 0.40 +/- 0.06. The kinetic analysis indicates that broad-band observations of infrared chemiluminescence may lead to erroneous rate constant determinations because of vibrational cascade, whereas the detection of individual vibrational states leads to correct results.

  5. The reaction NH2 + PH3 yields NH3 + PH2 - Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be indepenent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then contrasted with those for the corresponding reactions of H and OH with PH3.

  6. The reaction NH2 + PH3 yields NH3 + PH2: Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be independent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then constrasted with those for the corresponding reactions of H and OH with PH3.

  7. Channel specific rate constants for reactions of O(1D) with HCl and HBr

    NASA Technical Reports Server (NTRS)

    Wine, P. H.; Wells, J. R.; Ravishankara, A. R.

    1986-01-01

    The absolute rate coefficients and product yields for reactions of O(1D) with HCl(1) and HBr(2) at 287 K are presently determined by means of the time-resolved resonance fluorescence detection of O(3P) and H(2S) in conjunction with pulsed laser photolysis of O3/HX/He mixtures. Total rate coefficients for O(1D) removal are found to be, in units of 10 to the -10th cu cm/molecule per sec, k(1) = 1.50 + or - 0.18 and k(2) 1.48 + or - 0.16; the absolute accuracy of these rate coefficients is estimated to be + or - 20 percent.

  8. Convection coefficients at building surfaces

    NASA Astrophysics Data System (ADS)

    Kammerud, R. C.; Altmayer, E.; Bauman, F. S.; Gadgil, A.; Bohn, M.

    1982-09-01

    Correlations relating the rate of heat transfer from the surfaces of rooms to the enclosed air are being developed, based on empirical and analytic examinations of convection in enclosures. The correlations express the heat transfer rate in terms of boundary conditions relating to room geometry and surface temperatures. Work to date indicates that simple convection coefficient calculation techniques can be developed, which significantly improve accuracy of heat transfer predictions in comparison with the standard calculations recommended by ASHRAE.

  9. Cosmology with negative absolute temperatures

    NASA Astrophysics Data System (ADS)

    Vieira, J. P. P.; Byrnes, Christian T.; Lewis, Antony

    2016-08-01

    Negative absolute temperatures (NAT) are an exotic thermodynamical consequence of quantum physics which has been known since the 1950's (having been achieved in the lab on a number of occasions). Recently, the work of Braun et al. [1] has rekindled interest in negative temperatures and hinted at a possibility of using NAT systems in the lab as dark energy analogues. This paper goes one step further, looking into the cosmological consequences of the existence of a NAT component in the Universe. NAT-dominated expanding Universes experience a borderline phantom expansion (w < -1) with no Big Rip, and their contracting counterparts are forced to bounce after the energy density becomes sufficiently large. Both scenarios might be used to solve horizon and flatness problems analogously to standard inflation and bouncing cosmologies. We discuss the difficulties in obtaining and ending a NAT-dominated epoch, and possible ways of obtaining density perturbations with an acceptable spectrum.

  10. Accurate absolute GPS positioning through satellite clock error estimation

    NASA Astrophysics Data System (ADS)

    Han, S.-C.; Kwon, J. H.; Jekeli, C.

    2001-05-01

    An algorithm for very accurate absolute positioning through Global Positioning System (GPS) satellite clock estimation has been developed. Using International GPS Service (IGS) precise orbits and measurements, GPS clock errors were estimated at 30-s intervals. Compared to values determined by the Jet Propulsion Laboratory, the agreement was at the level of about 0.1 ns (3 cm). The clock error estimates were then applied to an absolute positioning algorithm in both static and kinematic modes. For the static case, an IGS station was selected and the coordinates were estimated every 30 s. The estimated absolute position coordinates and the known values had a mean difference of up to 18 cm with standard deviation less than 2 cm. For the kinematic case, data obtained every second from a GPS buoy were tested and the result from the absolute positioning was compared to a differential GPS (DGPS) solution. The mean differences between the coordinates estimated by the two methods are less than 40 cm and the standard deviations are less than 25 cm. It was verified that this poorer standard deviation on 1-s position results is due to the clock error interpolation from 30-s estimates with Selective Availability (SA). After SA was turned off, higher-rate clock error estimates (such as 1 s) could be obtained by a simple interpolation with negligible corruption. Therefore, the proposed absolute positioning technique can be used to within a few centimeters' precision at any rate by estimating 30-s satellite clock errors and interpolating them.

  11. Tropospheric oxidation of cyclic unsaturated ethers in the day-time: Comparison of the reactions with Cl, OH and O3 based on the determination of their rate coefficients at 298 K

    NASA Astrophysics Data System (ADS)

    Alwe, H. D.; Walavalkar, M. P.; Sharma, A.; Dhanya, S.; Naik, P. D.

    2014-01-01

    The rate coefficients of the reactions of three unsaturated cyclic ethers, 2,5-dihydrofuran (2,5-DHF), 2,3-dihydrofuran (2,3-DHF), and 3,4-dihydropyran (3,4-DHP), with the major day-time tropospheric oxidants - OH (kOH) and O3(kO3), and that of 3,4-DHP with Cl atom (kCl) are determined using relative rate method, at 298 K. The values of kOH are (6.45 ± 1.69), (11.95 ± 2.79) and (11.38 ± 2.64) × 10-11 cm3 molecule-1 s-1 for 2,5-DHF, 2,3-DHF and 3,4-DHP, respectively and kO3 are (1.65 ± 0.31), (443.20 ± 79.0) and (31.36 ± 5.80) × 10-17 cm3 molecule-1 s-1 for 2,5-DHF, 2,3-DHF and 3,4-DHP, respectively. The value of kCl for 3,4-DHP is (6.15 ± 0.84) × 10-10 cm3 molecule-1 s-1. The dominant pathway of tropospheric degradation of 2,5-DHF is the reaction with OH, whereas that of 2,3-DHF is the reaction with O3. Reaction with both OH and O3 are equally important in the case of 3,4-DHP. Under the conditions of marine boundary layer, the reaction with Cl atom is important in the tropospheric degradation of 2,5-DHF and 3,4-DHP, but insignificant in the case of 2,3-DHF (only 1.8%). The estimated tropospheric lifetimes in the day-time are 2.0, 0.08 and 0.62 h for 2,5-DHF, 2,3-DHF and 3,4-DHP respectively. The presence of O atom, unsaturation, conjugation etc. influences the rate coefficients in a complex manner. However, there is a good correlation of kOH with HOMO energy, which further improves by treating the molecules separately, either as ethers and hydrocarbons, or as cyclic and acyclic molecules. The values of kO3 of these ethers fit very well with the straight line regression derived for simple alkenes with their HOMO energy, except 2,3-DHF, which has a high strain enthalpy. The values of kCl also show a similar trend of increase with HOMO energy, but the correlation is not as good as that of kOH.

  12. Absolute photon-flux measurements in the vacuum ultraviolet

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Haddad, G. N.

    1974-01-01

    Absolute photon-flux measurements in the vacuum ultraviolet have extended to short wavelengths by use of rare-gas ionization chambers. The technique involves the measurement of the ion current as a function of the gas pressure in the ion chamber. The true value of the ion current, and hence the absolute photon flux, is obtained by extrapolating the ion current to zero gas pressure. Examples are given at 162 and 266 A. The short-wavelength limit is determined only by the sensitivity of the current-measuring apparatus and by present knowledge of the photoionization processes that occur in the rate gases.

  13. Rate of strontium sorption and the effects of variable aqueous concentrations of sodium and potassium on strontium distribution coefficients of a surficial sediment at the Idaho National Engineering Laboratory, Idaho

    USGS Publications Warehouse

    Bunde, R.L.; Rosentreter, J.J.; Liszewski, M.J.

    1998-01-01

    The rate of strontium sorption and the effects of variable aqueous concentrations of sodium and potassium on strontium sorption were measured as part of an investigation to determine strontium chemical transport properties of a surficial sediment at the Idaho National Engineering Laboratory (INEL), Idaho. Batch experimental techniques were used to determine the rate of strontium sorption and strontium distribution coefficients (K(d)s) between aqueous and solid phases. Rate experiments indicate that strontium in solution reached an apparent equilibrium with the sediment in 26 h. K(d)s were derived using the linear isotherm model at initial sodium concentrations from 100 to 5,000 mg/l and initial potassium concentrations from 2 to 150 mg/l. K(d)s ranged from 56 ?? 2 to 62 ?? 3 ml/g at initial aqueous concentrations of sodium and potassium equal to or less than 300 and 150 mg/l, respectively. K(d)s hinged from 4.7 ?? 0.2 to 19 ?? 1 ml/g with initial aqueous concentrations of sodium between 1,000 and 5,000 mg/l. These data indicate that sodium concentrations greater than 300 mg/l in wastewater increase the availability of strontium for transport beneath waste disposal ponds at the INEL by decreasing strontium sorption on the surficial sediment. Wastewater concentrations of sodium and potassium less than 300 and 150 mg/l, respectively, have little effect on the availability of strontium for transport.The rate of strontium sorption and the effects of variable aqueous concentrations of sodium and potassium on strontium sorption were measured as part of an investigation to determine strontium chemical transport properties of a surficial sediment at the Idaho National Engineering Laboratory (INEL), Idaho. Batch experimental techniques were used to determine the rate of strontium sorption and strontium distribution coefficients (Kds) between aqueous and solid phases. Rate experiments indicate that strontium in solution reached an apparent equilibrium with the sediment in 26

  14. Absolute GPS Positioning Using Genetic Algorithms

    NASA Astrophysics Data System (ADS)

    Ramillien, G.

    A new inverse approach for restoring the absolute coordinates of a ground -based station from three or four observed GPS pseudo-ranges is proposed. This stochastic method is based on simulations of natural evolution named genetic algorithms (GA). These iterative procedures provide fairly good and robust estimates of the absolute positions in the Earth's geocentric reference system. For comparison/validation, GA results are compared to the ones obtained using the classical linearized least-square scheme for the determination of the XYZ location proposed by Bancroft (1985) which is strongly limited by the number of available observations (i.e. here, the number of input pseudo-ranges must be four). The r.m.s. accuracy of the non -linear cost function reached by this latter method is typically ~10-4 m2 corresponding to ~300-500-m accuracies for each geocentric coordinate. However, GA can provide more acceptable solutions (r.m.s. errors < 10-5 m2), even when only three instantaneous pseudo-ranges are used, such as a lost of lock during a GPS survey. Tuned GA parameters used in different simulations are N=1000 starting individuals, as well as Pc=60-70% and Pm=30-40% for the crossover probability and mutation rate, respectively. Statistical tests on the ability of GA to recover acceptable coordinates in presence of important levels of noise are made simulating nearly 3000 random samples of erroneous pseudo-ranges. Here, two main sources of measurement errors are considered in the inversion: (1) typical satellite-clock errors and/or 300-metre variance atmospheric delays, and (2) Geometrical Dilution of Precision (GDOP) due to the particular GPS satellite configuration at the time of acquisition. Extracting valuable information and even from low-quality starting range observations, GA offer an interesting alternative for high -precision GPS positioning.

  15. Determination of the rate coefficients for the reactions IO + NO2 + M (air) --> IONO2 + M and O(3P) + NO2 --> O2 + NO using laser-induced fluorescence spectroscopy.

    PubMed

    Dillon, Terry J; Blitz, Mark A; Heard, Dwayne E

    2006-06-01

    Laser-induced fluorescence spectroscopy via excitation of the A2pi(3/2) <-- X2pi(3/2) (2,0) band at 445 nm was used to monitor IO in the presence of NO2 following its generation in the reactions O(3P) + CF3I and O(3P) + I2. Both photolysis of O3 (248 nm) and NO2 (351 nm) were used to initiate the production of IO. The rate coefficients for the thermolecular reaction IO + NO2 + M --> IONO2 + M were measured in air, N2, and O2 over the range P = 18-760 Torr, covering typical tropospheric conditions, and were found to be in the falloff region. No dependence of k1 upon bath gas identity was observed, and in general, the results are in good agreement with recent determinations. Using a Troe broadening factor of F(B) = 0.4, the falloff parameters k0(1) = (9.5 +/- 1.6) x 10(-31) cm6 molecule(-2) s(-1) and k(infinity)(1) = (1.7 +/- 0.3) x 10(-11) cm3 molecule(-1) s(-1) were determined at 294 K. The temporal profile of IO at elevated temperatures was used to investigate the thermal stability of the product, IONO2, but no evidence was observed for the regeneration of IO, consistent with recent calculations for the IO-NO2 bond strength being approximately 100 kJ mol(-1). Previous modeling studies of iodine chemistry in the marine boundary layer that utilize values of k1 measured in N2 are hence validated by these results conducted in air. The rate coefficient for the reaction O(3P) + NO2 --> O2 + NO at 294 K and in 100 Torr of air was determined to be k2 = (9.3 +/- 0.9) x 10(-12) cm3 molecule(-1) s(-1), in good agreement with recommended values. All uncertainties are quoted at the 95% confidence limit.

  16. Modified Biserial Correlation Coefficients.

    ERIC Educational Resources Information Center

    Kraemer, Helena Chmura

    1981-01-01

    Asymptotic distribution theory of Brogden's form of biserial correlation coefficient is derived and large sample estimates of its standard error obtained. Its relative efficiency to the biserial correlation coefficient is examined. Recommendations for choice of estimator of biserial correlation are presented. (Author/JKS)

  17. Absolute Radiometric Calibration of KOMPSAT-3A

    NASA Astrophysics Data System (ADS)

    Ahn, H. Y.; Shin, D. Y.; Kim, J. S.; Seo, D. C.; Choi, C. U.

    2016-06-01

    This paper presents a vicarious radiometric calibration of the Korea Multi-Purpose Satellite-3A (KOMPSAT-3A) performed by the Korea Aerospace Research Institute (KARI) and the Pukyong National University Remote Sensing Group (PKNU RSG) in 2015.The primary stages of this study are summarized as follows: (1) A field campaign to determine radiometric calibrated target fields was undertaken in Mongolia and South Korea. Surface reflectance data obtained in the campaign were input to a radiative transfer code that predicted at-sensor radiance. Through this process, equations and parameters were derived for the KOMPSAT-3A sensor to enable the conversion of calibrated DN to physical units, such as at-sensor radiance or TOA reflectance. (2) To validate the absolute calibration coefficients for the KOMPSAT-3A sensor, we performed a radiometric validation with a comparison of KOMPSAT-3A and Landsat-8 TOA reflectance using one of the six PICS (Libya 4). Correlations between top-of-atmosphere (TOA) radiances and the spectral band responses of the KOMPSAT-3A sensors at the Zuunmod, Mongolia and Goheung, South Korea sites were significant for multispectral bands. The average difference in TOA reflectance between KOMPSAT-3A and Landsat-8 image over the Libya 4, Libya site in the red-green-blue (RGB) region was under 3%, whereas in the NIR band, the TOA reflectance of KOMPSAT-3A was lower than the that of Landsat-8 due to the difference in the band passes of two sensors. The KOMPSAT-3Aensor includes a band pass near 940 nm that can be strongly absorbed by water vapor and therefore displayed low reflectance. Toovercome this, we need to undertake a detailed analysis using rescale methods, such as the spectral bandwidth adjustment factor.

  18. What is Needed for Absolute Paleointensity?

    NASA Astrophysics Data System (ADS)

    Valet, J. P.

    2015-12-01

    Many alternative approaches to the Thellier and Thellier technique for absolute paleointensity have been proposed during the past twenty years. One reason is the time consuming aspect of the experiments. Another reason is to avoid uncertainties in determinations of the paleofield which are mostly linked to the presence of multidomain grains. Despite great care taken by these new techniques, there is no indication that they always provide the right answer and in fact sometimes fail. We are convinced that the most valid approach remains the original double heating Thellier protocol provided that natural remanence is controlled by pure magnetite with a narrow distribution of small grain sizes, mostly single domains. The presence of titanium, even in small amount generates biases which yield incorrect field values. Single domain grains frequently dominate the magnetization of glass samples, which explains the success of this selective approach. They are also present in volcanic lava flows but much less frequently, and therefore contribute to the low success rate of most experiments. However the loss of at least 70% of the magnetization at very high temperatures prior to the Curie point appears to be an essential prerequisite that increases the success rate to almost 100% and has been validated from historical flows and from recent studies. This requirement can easily be tested by thermal demagnetization while low temperature experiments can document the detection of single domain magnetite using the δFC/δZFC parameter as suggested (Moskowitz et al, 1993) for biogenic magnetite.

  19. Atmospheric Sink of (E)-3-Hexen-1-ol, (Z)-3-Hepten-1-ol, and (Z)-3-Octen-1-ol: Rate Coefficients and Mechanisms of the OH-Radical Initiated Degradation.

    PubMed

    Gibilisco, Rodrigo G; Blanco, María B; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; Teruel, Mariano A

    2015-07-07

    A kinetic study of the gas-phase reactions of OH radicals with three unsaturated biogenic alcohols, (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol, and (Z)-3-octen-1-ol, has been performed. The rate coefficients obtained are (in units of 10(-10) cm(3) molecule(-1) s(-1)) k1 (OH + (E)-CH2(OH)CH2CH═CHCH2CH3) = (1.14 ± 0.14), k2 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH3) = (1.28 ± 0.23), and k3 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH2CH3) = (1.49 ± 0.35). In addition, a product study on the reactions of OH with (E)-3-hexen-1-ol and (Z)-3-hepten-1-ol is reported. All the experiments were performed at (298 ± 2) K and 1 atm of NOx-free air in a 1080 L photoreactor with in situ FTIR detection of organics. This work constitutes the first kinetic study of the reactions of OH radicals with (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol as well as the first determination of the fate of the hydroxy alkoxy radicals formed in the title reactions. An analysis of the available rates of addition of OH and Cl to the double bond of different unsaturated alcohols at 298 K has shown that they can be related by the expression log kOH = (0.29 ± 0.04) log kCl - 10.8. The atmospheric lifetimes of the alcohols studies were estimated to be around 1 h for reaction with OH radicals. The products formed in the title reactions are mainly carbonylic compounds that can contribute to the formation of ozone and PANs-type compounds in the troposphere.

  20. A gain-coefficient switched Alexandrite laser

    NASA Astrophysics Data System (ADS)

    Lee, Chris J.; van der Slot, Peter J. M.; Boller, Klaus-J.

    2013-01-01

    We report on a gain-coefficient switched Alexandrite laser. An electro-optic modulator is used to switch between high and low gain states by making use of the polarization dependent gain of Alexandrite. In gain-coefficient switched mode, the laser produces 85 ns pulses with a pulse energy of 240 mJ at a repetition rate of 5 Hz.

  1. Absolute optical metrology : nanometers to kilometers

    NASA Technical Reports Server (NTRS)

    Dubovitsky, Serge; Lay, O. P.; Peters, R. D.; Liebe, C. C.

    2005-01-01

    We provide and overview of the developments in the field of high-accuracy absolute optical metrology with emphasis on space-based applications. Specific work on the Modulation Sideband Technology for Absolute Ranging (MSTAR) sensor is described along with novel applications of the sensor.

  2. ON A SUFFICIENT CONDITION FOR ABSOLUTE CONTINUITY.

    DTIC Science & Technology

    The formulation of a condition which yields absolute continuity when combined with continuity and bounded variation is the problem considered in the...Briefly, the formulation is achieved through a discussion which develops a proof by contradiction of a sufficiently theorem for absolute continuity which uses in its hypothesis the condition of continuity and bounded variation .

  3. Introducing the Mean Absolute Deviation "Effect" Size

    ERIC Educational Resources Information Center

    Gorard, Stephen

    2015-01-01

    This paper revisits the use of effect sizes in the analysis of experimental and similar results, and reminds readers of the relative advantages of the mean absolute deviation as a measure of variation, as opposed to the more complex standard deviation. The mean absolute deviation is easier to use and understand, and more tolerant of extreme…

  4. Monolithically integrated absolute frequency comb laser system

    SciTech Connect

    Wanke, Michael C.

    2016-07-12

    Rather than down-convert optical frequencies, a QCL laser system directly generates a THz frequency comb in a compact monolithically integrated chip that can be locked to an absolute frequency without the need of a frequency-comb synthesizer. The monolithic, absolute frequency comb can provide a THz frequency reference and tool for high-resolution broad band spectroscopy.

  5. Overspecification of color, pattern, and size: salience, absoluteness, and consistency

    PubMed Central

    Tarenskeen, Sammie; Broersma, Mirjam; Geurts, Bart

    2015-01-01

    The rates of overspecification of color, pattern, and size are compared, to investigate how salience and absoluteness contribute to the production of overspecification. Color and pattern are absolute and salient attributes, whereas size is relative and less salient. Additionally, a tendency toward consistent responses is assessed. Using a within-participants design, we find similar rates of color and pattern overspecification, which are both higher than the rate of size overspecification. Using a between-participants design, however, we find similar rates of pattern and size overspecification, which are both lower than the rate of color overspecification. This indicates that although many speakers are more likely to include color than pattern (probably because color is more salient), they may also treat pattern like color due to a tendency toward consistency. We find no increase in size overspecification when the salience of size is increased, suggesting that speakers are more likely to include absolute than relative attributes. However, we do find an increase in size overspecification when mentioning the attributes is triggered, which again shows that speakers tend to refer in a consistent manner, and that there are circumstances in which even size overspecification is frequently produced. PMID:26594190

  6. Absolute instability of the Gaussian wake profile

    NASA Technical Reports Server (NTRS)

    Hultgren, Lennart S.; Aggarwal, Arun K.

    1987-01-01

    Linear parallel-flow stability theory has been used to investigate the effect of viscosity on the local absolute instability of a family of wake profiles with a Gaussian velocity distribution. The type of local instability, i.e., convective or absolute, is determined by the location of a branch-point singularity with zero group velocity of the complex dispersion relation for the instability waves. The effects of viscosity were found to be weak for values of the wake Reynolds number, based on the center-line velocity defect and the wake half-width, larger than about 400. Absolute instability occurs only for sufficiently large values of the center-line wake defect. The critical value of this parameter increases with decreasing wake Reynolds number, thereby indicating a shrinking region of absolute instability with decreasing wake Reynolds number. If backflow is not allowed, absolute instability does not occur for wake Reynolds numbers smaller than about 38.

  7. Coefficients of Effective Length.

    ERIC Educational Resources Information Center

    Edwards, Roger H.

    1981-01-01

    Under certain conditions, a validity Coefficient of Effective Length (CEL) can produce highly misleading results. A modified coefficent is suggested for use when empirical studies indicate that underlying assumptions have been violated. (Author/BW)

  8. Piezo-optic coefficients of CaWO4 crystals

    NASA Astrophysics Data System (ADS)

    Mytsyk, B. G.; Kost', Ya. P.; Demyanyshyn, N. M.; Andrushchak, A. S.; Solskii, I. M.

    2015-01-01

    All components of the piezo-optic coefficient matrix of calcium tungstate crystals, belonging to the 4/ m symmetry class, are determined. The reliability of the piezo-optic effect measurements in CaWO4 crystals is achieved by determining each piezo-optic coefficient from several experimental geometries and is also based on the correlation of the absolute piezo-electric coefficients and the path-difference coefficients. The rotation-shear diagonal coefficients π44 and π66 and three principal piezo-optic coefficients π11, π13, and π31 are refined by the polarization-optical method. It is confirmed that both the interferometric and polarization-optical methods should be used to study the piezo-optic effect with high accuracy. The results show that calcium tungstate is a promising material for acousto-optical and photoelastic modulation.

  9. Orion Absolute Navigation System Progress and Challenge

    NASA Technical Reports Server (NTRS)

    Holt, Greg N.; D'Souza, Christopher

    2012-01-01

    The absolute navigation design of NASA's Orion vehicle is described. It has undergone several iterations and modifications since its inception, and continues as a work-in-progress. This paper seeks to benchmark the current state of the design and some of the rationale and analysis behind it. There are specific challenges to address when preparing a timely and effective design for the Exploration Flight Test (EFT-1), while still looking ahead and providing software extensibility for future exploration missions. The primary onboard measurements in a Near-Earth or Mid-Earth environment consist of GPS pseudo-range and delta-range, but for future explorations missions the use of star-tracker and optical navigation sources need to be considered. Discussions are presented for state size and composition, processing techniques, and consider states. A presentation is given for the processing technique using the computationally stable and robust UDU formulation with an Agee-Turner Rank-One update. This allows for computational savings when dealing with many parameters which are modeled as slowly varying Gauss-Markov processes. Preliminary analysis shows up to a 50% reduction in computation versus a more traditional formulation. Several state elements are discussed and evaluated, including position, velocity, attitude, clock bias/drift, and GPS measurement biases in addition to bias, scale factor, misalignment, and non-orthogonalities of the accelerometers and gyroscopes. Another consideration is the initialization of the EKF in various scenarios. Scenarios such as single-event upset, ground command, and cold start are discussed as are strategies for whole and partial state updates as well as covariance considerations. Strategies are given for dealing with latent measurements and high-rate propagation using multi-rate architecture. The details of the rate groups and the data ow between the elements is discussed and evaluated.

  10. Absolute quantitation of protein posttranslational modification isoform.

    PubMed

    Yang, Zhu; Li, Ning

    2015-01-01

    Mass spectrometry has been widely applied in characterization and quantification of proteins from complex biological samples. Because the numbers of absolute amounts of proteins are needed in construction of mathematical models for molecular systems of various biological phenotypes and phenomena, a number of quantitative proteomic methods have been adopted to measure absolute quantities of proteins using mass spectrometry. The liquid chromatography-tandem mass spectrometry (LC-MS/MS) coupled with internal peptide standards, i.e., the stable isotope-coded peptide dilution series, which was originated from the field of analytical chemistry, becomes a widely applied method in absolute quantitative proteomics research. This approach provides more and more absolute protein quantitation results of high confidence. As quantitative study of posttranslational modification (PTM) that modulates the biological activity of proteins is crucial for biological science and each isoform may contribute a unique biological function, degradation, and/or subcellular location, the absolute quantitation of protein PTM isoforms has become more relevant to its biological significance. In order to obtain the absolute cellular amount of a PTM isoform of a protein accurately, impacts of protein fractionation, protein enrichment, and proteolytic digestion yield should be taken into consideration and those effects before differentially stable isotope-coded PTM peptide standards are spiked into sample peptides have to be corrected. Assisted with stable isotope-labeled peptide standards, the absolute quantitation of isoforms of posttranslationally modified protein (AQUIP) method takes all these factors into account and determines the absolute amount of a protein PTM isoform from the absolute amount of the protein of interest and the PTM occupancy at the site of the protein. The absolute amount of the protein of interest is inferred by quantifying both the absolute amounts of a few PTM

  11. Hydroxyl radical reaction rate coefficients as a function of temperature and IR absorption cross sections for CF3CH=CH2 (HFO-1243zf), potential replacement of CF3CH2F (HFC-134a).

    PubMed

    González, Sergio; Jiménez, Elena; Ballesteros, Bernabé; Martínez, Ernesto; Albaladejo, José

    2015-04-01

    CF3CH=CH2 (hydrofluoroolefin, HFO-1243zf) is a potential replacement of high global-warming potential (GWP) hydrofluorocarbon (HFC-134a, CF3CFH2). Both the atmospheric lifetime and the radiative efficiency of HFO-1243zf are parameters needed for estimating the GWP of this species. Therefore, the aim of this work is (i) to estimate the atmospheric lifetime of HFO-1243zf from the reported OH rate coefficients, k OH, determined under tropospheric conditions and (ii) to calculate its radiative efficiency from the reported IR absorption cross sections. The OH rate coefficient at 298 K also allows the estimation of the photochemical ozone creation potential (ε(POCP)). The pulsed laser photolysis coupled to a laser-induced fluorescence technique was used to determine k OH for the reaction of OH radicals with HFO-1243zf as a function of pressure (50-650 Torr of He) and temperature (263-358 K). Gas-phase IR spectra of HFO-1243zf were recorded at room temperature using a Fourier transform IR spectrometer between 500 and 4,000 cm(-1). At all temperatures, k OH did not depend on bath gas concentration (i.e., on the total pressure between 50 and 650 Torr of He). A slight but noticeable T dependence of k OH was observed in the temperature range investigated. The observed behavior is well described by the following Arrhenius expression: k OH(T) = (7.65 ± 0.26) × 10(-13) exp [(165 ± 10) / T] cm(3) molecule(-1) s(-1). Negligible IR absorption of HFO-1243zf was observed at wavenumbers greater than 1,700 cm(-1). Therefore, IR absorption cross sections, [Formula: see text], were determined in the 500-1,700 cm(-1) range. Integrated [Formula: see text] were determined between 650 and 1,800 cm(-1) for comparison purposes. The main diurnal removal pathway for HFO-1243zf is the reaction with OH radicals, which accounts for 64% of the overall loss by homogeneous reactions at 298 K. Globally, the lifetime due to OH reaction (τ OH) was estimated to be 8.7 days under

  12. Absolute realization of low BRDF value

    NASA Astrophysics Data System (ADS)

    Liu, Zilong; Liao, Ningfang; Li, Ping; Wang, Yu

    2010-10-01

    Low BRDF value is widespread used in many critical domains such as space and military fairs. These values below 0.1 Sr-1 . So the Absolute realization of these value is the most critical issue in the absolute measurement of BRDF. To develop the Absolute value realization theory of BRDF , defining an arithmetic operators of BRDF , achieving an absolute measurement Eq. of BRDF based on radiance. This is a new theory method to solve the realization problem of low BRDF value. This theory method is realized on a self-designed common double orientation structure in space. By designing an adding structure to extend the range of the measurement system and a control and processing software, Absolute realization of low BRDF value is achieved. A material of low BRDF value is measured in this measurement system and the spectral BRDF value are showed within different angles allover the space. All these values are below 0.4 Sr-1 . This process is a representative procedure about the measurement of low BRDF value. A corresponding uncertainty analysis of this measurement data is given depend on the new theory of absolute realization and the performance of the measurement system. The relative expand uncertainty of the measurement data is 0.078. This uncertainty analysis is suitable for all measurements using the new theory of absolute realization and the corresponding measurement system.

  13. The EM-POGO: A simple, absolute velocity profiler

    NASA Astrophysics Data System (ADS)

    Terker, S. R.; Sanford, T. B.; Dunlap, J. H.; Girton, J. B.

    2013-01-01

    Electromagnetic current instrumentation has been added to the Bathy Systems, Inc. POGO transport sondes to produce a free-falling absolute velocity profiler called EM-POGO. The POGO is a free-fall profiler that measures a depth-averaged velocity using GPS fixes at the beginning and end of a round trip to the ocean floor (or a preset depth). The EM-POGO adds a velocity profile determined from measurements of motionally induced electric fields generated by the ocean current moving through the vertical component of the Earth's magnetic field. In addition to providing information about the vertical structure of the velocity, the depth-dependent measurements improve transport measurements by correcting for the non-constant fall-rate. Neglecting the variable fall rate results in errors O (1 cm s-1). The transition from POGO to EM-POGO included electrically isolating the POGO and electric-field-measuring circuits, installing a functional GPS receiver, finding a pressure case that provided an optimal balance among crush-depth, price and size, and incorporating the electrodes, electrode collar, and the circuitry required for the electric field measurement. The first EM-POGO sea-trial was in July 1999. In August 2006 a refurbished EM-POGO collected 15 absolute velocity profiles; relative and absolute velocity uncertainty was ˜1cms-1 and 0.5-5 cm s-1, respectively, at a vertical resolution of 25 m. Absolute velocity from the EM-POGO compared to shipboard ADCP measurements differed by ˜ 1-2 cm s-1, comparable to the uncertainty in absolute velocity from the ADCP. The EM-POGO is thus a low-cost, easy to deploy and recover, and accurate velocity profiler.

  14. Consistent set of nuclear parameters values for absolute INAA

    SciTech Connect

    Heft, R.E.

    1980-01-01

    Gamma spectral analysis of irradiated material can be used to determine absolute disintegration rates for specific radionuclides. These data, together with measured values for the thermal and epithermal neutron fluxes, and irradiation, cooling and counting time values, are all the experimental information required to do absolute Instrumental Neutron Activation Analysis. The calculations required to go from product photon emission rate to target nuclide amount depend upon values used for the thermal neutron capture cross-section, the resonance absorption integral, the half-life and photon branching ratios. Values for these parameters were determined by irradiating and analyzing a series of elemental standards. The results of these measurements were combined with values reported by other workers to arrive at a set of recommended values for the constants. Values for 114 nuclides are listed.

  15. Absolute pitch and pupillary response: effects of timbre and key color.

    PubMed

    Schlemmer, Kathrin B; Kulke, Franziska; Kuchinke, Lars; Van Der Meer, Elke

    2005-07-01

    The pitch identification performance of absolute pitch possessors has previously been shown to depend on pitch range, key color, and timbre of presented tones. In the present study, the dependence of pitch identification performance on key color and timbre of musical tones was examined by analyzing hit rates, reaction times, and pupillary responses of absolute pitch possessors (n = 9) and nonpossessors (n = 12) during a pitch identification task. Results revealed a significant dependence of pitch identification hit rate but not reaction time on timbre and key color in both groups. Among absolute pitch possessors, peak dilation of the pupil was significantly dependent on key color whereas the effect of timbre was marginally significant. Peak dilation of the pupil differed significantly between absolute pitch possessors and nonpossessors. The observed effects point to the importance of learning factors in the acquisition of absolute pitch.

  16. A New Gimmick for Assigning Absolute Configuration.

    ERIC Educational Resources Information Center

    Ayorinde, F. O.

    1983-01-01

    A five-step procedure is provided to help students in making the assignment absolute configuration less bothersome. Examples for both single (2-butanol) and multi-chiral carbon (3-chloro-2-butanol) molecules are included. (JN)

  17. Magnifying absolute instruments for optically homogeneous regions

    SciTech Connect

    Tyc, Tomas

    2011-09-15

    We propose a class of magnifying absolute optical instruments with a positive isotropic refractive index. They create magnified stigmatic images, either virtual or real, of optically homogeneous three-dimensional spatial regions within geometrical optics.

  18. The Simplicity Argument and Absolute Morality

    ERIC Educational Resources Information Center

    Mijuskovic, Ben

    1975-01-01

    In this paper the author has maintained that there is a similarity of thought to be found in the writings of Cudworth, Emerson, and Husserl in his investigation of an absolute system of morality. (Author/RK)

  19. Dissociative Recombination and Excitation of CH{sup {plus}} {sub 5} : Absolute Cross Sections and Branching Fractions

    SciTech Connect

    Semaniak, J.; Larson, A.; Le Padellec, A.; Stroemholm, C.; Larsson, M.; Rosen, S.; Peverall, R.; Danared, H.; Djuric, N.; Dunn, G.H.; Datz, S.

    1998-05-01

    The heavy-ion storage ring CRYRING was used to measure the absolute dissociative recombination and dissociative excitation cross sections for collision energies below 50 eV. Deduced thermal rates coefficients are consistent with previous beams data but are lower by a factor of 3 than the rates measured by means of the flowing afterglow Langmuir probe technique. A resonant structure in dissociative recombination cross section was found at 9 eV. We have determined the branching fractions in DR of CH{sup {plus}} {sub 5} below 0.2 eV. The branching is dominated by three-body CH{sub 3} + H + H and CH{sub 2} + H{sub 2} + H dissociation channels, which occur with branching ratios of {approx}0.7 and {approx}0.2, respectively; thus methane is a minor species among dissociation products. Both the measured absolute cross sections and branching in dissociative recombination of CH{sup {plus}} {sub 5} can have important implications for the models of dense interstellar clouds and abundance of CH{sub 2}, CH{sub 3} and CH{sub 4} in these media. {copyright} {ital {copyright} 1998.} {ital The American Astronomical Society}

  20. Measuring Seebeck Coefficient

    NASA Technical Reports Server (NTRS)

    Snyder, G. Jeffrey (Inventor)

    2015-01-01

    A high temperature Seebeck coefficient measurement apparatus and method with various features to minimize typical sources of errors is described. Common sources of temperature and voltage measurement errors which may impact accurate measurement are identified and reduced. Applying the identified principles, a high temperature Seebeck measurement apparatus and method employing a uniaxial, four-point geometry is described to operate from room temperature up to 1300K. These techniques for non-destructive Seebeck coefficient measurements are simple to operate, and are suitable for bulk samples with a broad range of physical types and shapes.

  1. JKTLD: Limb darkening coefficients

    NASA Astrophysics Data System (ADS)

    Southworth, John

    2015-11-01

    JKTLD outputs theoretically-calculated limb darkening (LD) strengths for equations (LD laws) which predict the amount of LD as a function of the part of the star being observed. The coefficients of these laws are obtained by bilinear interpolation (in effective temperature and surface gravity) in published tables of coefficients calculated from stellar model atmospheres by several researchers. Many observations of stars require the strength of limb darkening (LD) to be estimated, which can be done using theoretical models of stellar atmospheres; JKTLD can help in these circumstances.

  2. Absolute cross sections of compound nucleus reactions

    NASA Astrophysics Data System (ADS)

    Capurro, O. A.

    1993-11-01

    The program SEEF is a Fortran IV computer code for the extraction of absolute cross sections of compound nucleus reactions. When the evaporation residue is fed by its parents, only cumulative cross sections will be obtained from off-line gamma ray measurements. But, if one has the parent excitation function (experimental or calculated), this code will make it possible to determine absolute cross sections of any exit channel.

  3. Kelvin and the absolute temperature scale

    NASA Astrophysics Data System (ADS)

    Erlichson, Herman

    2001-07-01

    This paper describes the absolute temperature scale of Kelvin (William Thomson). Kelvin found that Carnot's axiom about heat being a conserved quantity had to be abandoned. Nevertheless, he found that Carnot's fundamental work on heat engines was correct. Using the concept of a Carnot engine Kelvin found that Q1/Q2 = T1/T2. Thermometers are not used to obtain absolute temperatures since they are calculated temperatures.

  4. Stellar reaction rate for {sup 22}Mg+p->{sup 23}Al from the asymptotic normalization coefficient in the mirror nuclear system {sup 22}Ne+n->{sup 23}Ne

    SciTech Connect

    Al-Abdullah, T.; Carstoiu, F.; Chen, X.; Clark, H. L.; Fu, C.; Gagliardi, C. A.; Lui, Y.-W.; Mukhamedzhanov, A.; Tabacaru, G.; Tokimoto, Y.; Trache, L.; Tribble, R. E.

    2010-03-15

    The production of {sup 22}Na in ONe novae can be influenced by the {sup 22}Mg(p,gamma){sup 23}Al reaction. To investigate this reaction rate at stellar energies, we have determined the asymptotic normalization coefficient (ANC) for {sup 22}Mg+p->{sup 23}Al through measurements of the ANCs in the mirror nuclear system {sup 22}Ne+n->{sup 23}Ne. The peripheral neutron-transfer reactions {sup 13}C({sup 12}C,{sup 13}C){sup 12}C and {sup 13}C({sup 22}Ne,{sup 23}Ne){sup 12}C were studied. The identical entrance and exit channels of the first reaction make it possible to extract independently the ground-state ANC in {sup 13}C. Our experiment gives C{sub p{sub 1/2}}{sup 2}({sup 13}C)=2.24+-0.11 fm{sup -1}, which agrees with the value obtained from several previous measurements. The weighted average for all the obtained C{sub p{sub 1/2}}{sup 2} is 2.31+-0.08 fm{sup -1}. This value is adopted to be used in obtaining the ANCs in {sup 23}Ne. The differential cross sections for the reaction {sup 13}C({sup 22}Ne,{sup 23}Ne){sup 12}C leading to the J{sup {pi}}=5/2{sup +} and 1/2{sup +} states in {sup 23}Ne have been measured at 12 MeV/u. Optical model parameters for use in the DWBA calculations were obtained from measurements of the elastic scatterings {sup 22}Ne+{sup 13}C and {sup 22}Ne+{sup 12}C. The extracted ANC for the ground state in {sup 23}Ne, C{sub d{sub 5/2}}{sup 2}=0.86+-0.08+-0.12 fm{sup -1}, is converted to its corresponding value in {sup 23}Al using mirror symmetry to give C{sub d{sub 5/2}}{sup 2}({sup 23}Al)=(4.63+-0.77)x10{sup 3} fm{sup -1}. The astrophysical S factor S(0) for the {sup 22}Mg(p,gamma) reaction was determined to be 0.96+-0.11 keV b. The consequences for nuclear astrophysics are discussed.

  5. Variability in heart rate recovery measurements over 1 year in healthy, middle-aged adults.

    PubMed

    Mellis, M G; Ingle, L; Carroll, S

    2014-02-01

    This study assessed the longer-term (12-month) variability in post-exercise heart rate recovery following a submaximal exercise test. Longitudinal data was analysed for 97 healthy middle-aged adults (74 male, 23 female) from 2 occasions, 12 months apart. Participants were retrospectively selected if they had stable physical activity habits, submaximal treadmill fitness and anthropometric measurements between the 2 assessment visits. A submaximal Bruce treadmill test was performed to at least 85% age-predicted maximum heart rate. Absolute heart rate and Δ heart rate recovery (change from peak exercise heart rate) were recorded for 1 and 2 min post-exercise in an immediate supine position. Heart rate recovery at both time-points was shown to be reliable with intra-class correlation coefficient values ≥ 0.714. Absolute heart rate 1-min post-exercise showed the strongest agreement between repeat tests (r = 0.867, P < 0.001). Lower coefficient of variation (≤ 10.2%) and narrower limits of agreement were found for actual heart rate values rather than Δ heart rate recovery, and for 1-min rather than 2-min post-exercise recovery time points. Log-transformed values generated better variability with acceptable coefficient of variation for all measures (2.2-10%). Overall, 1 min post-exercise heart rate recovery data had least variability over the 12-month period in apparently healthy middle-aged adults.

  6. Absolute determination of local tropospheric OH concentrations

    NASA Technical Reports Server (NTRS)

    Armerding, Wolfgang; Comes, Franz-Josef

    1994-01-01

    Long path absorption (LPA) according to Lambert Beer's law is a method to determine absolute concentrations of trace gases such as tropospheric OH. We have developed a LPA instrument which is based on a rapid tuning of the light source which is a frequency doubled dye laser. The laser is tuned across two or three OH absorption features around 308 nm with a scanning speed of 0.07 cm(exp -1)/microsecond and a repetition rate of 1.3 kHz. This high scanning speed greatly reduces the fluctuation of the light intensity caused by the atmosphere. To obtain the required high sensitivity the laser output power is additionally made constant and stabilized by an electro-optical modulator. The present sensitivity is of the order of a few times 10(exp 5) OH per cm(exp 3) for an acquisition time of a minute and an absorption path length of only 1200 meters so that a folding of the optical path in a multireflection cell was possible leading to a lateral dimension of the cell of a few meters. This allows local measurements to be made. Tropospheric measurements have been carried out in 1991 resulting in the determination of OH diurnal variation at specific days in late summer. Comparison with model calculations have been made. Interferences are mainly due to SO2 absorption. The problem of OH self generation in the multireflection cell is of minor extent. This could be shown by using different experimental methods. The minimum-maximum signal to noise ratio is about 8 x 10(exp -4) for a single scan. Due to the small size of the absorption cell the realization of an open air laboratory is possible in which by use of an additional UV light source or by additional fluxes of trace gases the chemistry can be changed under controlled conditions allowing kinetic studies of tropospheric photochemistry to be made in open air.

  7. Jasminum flexile flower absolute from India--a detailed comparison with three other jasmine absolutes.

    PubMed

    Braun, Norbert A; Kohlenberg, Birgit; Sim, Sherina; Meier, Manfred; Hammerschmidt, Franz-Josef

    2009-09-01

    Jasminum flexile flower absolute from the south of India and the corresponding vacuum headspace (VHS) sample of the absolute were analyzed using GC and GC-MS. Three other commercially available Indian jasmine absolutes from the species: J. sambac, J. officinale subsp. grandiflorum, and J. auriculatum and the respective VHS samples were used for comparison purposes. One hundred and twenty-one compounds were characterized in J. flexile flower absolute, with methyl linolate, benzyl salicylate, benzyl benzoate, (2E,6E)-farnesol, and benzyl acetate as the main constituents. A detailed olfactory evaluation was also performed.

  8. Heat transfer coefficient of cryotop during freezing.

    PubMed

    Li, W J; Zhou, X L; Wang, H S; Liu, B L; Dai, J J

    2013-01-01

    Cryotop is an efficient vitrification method for cryopreservation of oocytes. It has been widely used owing to its simple operation and high freezing rate. Recently, the heat transfer performance of cryotop was studied by numerical simulation in several studies. However, the range of heat transfer coefficient in the simulation is uncertain. In this study, the heat transfer coefficient for cryotop during freezing process was analyzed. The cooling rates of 40 percent ethylene glycol (EG) droplet in cryotop during freezing were measured by ultra-fast measurement system and calculated by numerical simulation at different value of heat transfer coefficient. Compared with the results obtained by two methods, the range of the heat transfer coefficient necessary for the numerical simulation of cryotop was determined, which is between 9000 W/(m(2)·K) and 10000 W/(m (2)·K).

  9. Universal Cosmic Absolute and Modern Science

    NASA Astrophysics Data System (ADS)

    Kostro, Ludwik

    The official Sciences, especially all natural sciences, respect in their researches the principle of methodic naturalism i.e. they consider all phenomena as entirely natural and therefore in their scientific explanations they do never adduce or cite supernatural entities and forces. The purpose of this paper is to show that Modern Science has its own self-existent, self-acting, and self-sufficient Natural All-in Being or Omni-Being i.e. the entire Nature as a Whole that justifies the scientific methodic naturalism. Since this Natural All-in Being is one and only It should be considered as the own scientifically justified Natural Absolute of Science and should be called, in my opinion, the Universal Cosmic Absolute of Modern Science. It will be also shown that the Universal Cosmic Absolute is ontologically enormously stratified and is in its ultimate i.e. in its most fundamental stratum trans-reistic and trans-personal. It means that in its basic stratum. It is neither a Thing or a Person although It contains in Itself all things and persons with all other sentient and conscious individuals as well, On the turn of the 20th century the Science has begun to look for a theory of everything, for a final theory, for a master theory. In my opinion the natural Universal Cosmic Absolute will constitute in such a theory the radical all penetrating Ultimate Basic Reality and will substitute step by step the traditional supernatural personal Absolute.

  10. Uncertainty Analysis for Photovoltaic Degradation Rates (Poster)

    SciTech Connect

    Jordan, D.; Kurtz, S.; Hansen, C.

    2014-04-01

    Dependable and predictable energy production is the key to the long-term success of the PV industry. PV systems show over the lifetime of their exposure a gradual decline that depends on many different factors such as module technology, module type, mounting configuration, climate etc. When degradation rates are determined from continuous data the statistical uncertainty is easily calculated from the regression coefficients. However, total uncertainty that includes measurement uncertainty and instrumentation drift is far more difficult to determine. A Monte Carlo simulation approach was chosen to investigate a comprehensive uncertainty analysis. The most important effect for degradation rates is to avoid instrumentation that changes over time in the field. For instance, a drifting irradiance sensor, which can be achieved through regular calibration, can lead to a substantially erroneous degradation rates. However, the accuracy of the irradiance sensor has negligible impact on degradation rate uncertainty emphasizing that precision (relative accuracy) is more important than absolute accuracy.

  11. A three-axis SQUID-based absolute vector magnetometer.

    PubMed

    Schönau, T; Zakosarenko, V; Schmelz, M; Stolz, R; Anders, S; Linzen, S; Meyer, M; Meyer, H-G

    2015-10-01

    We report on the development of a three-axis absolute vector magnetometer suited for mobile operation in the Earth's magnetic field. It is based on low critical temperature dc superconducting quantum interference devices (LTS dc SQUIDs) with sub-micrometer sized cross-type Josephson junctions and exhibits a white noise level of about 10 fT/Hz(1/2). The width of superconducting strip lines is restricted to less than 6 μm in order to avoid flux trapping during cool-down in magnetically unshielded environment. The long-term stability of the flux-to-voltage transfer coefficients of the SQUID electronics is investigated in detail and a method is presented to significantly increase their reproducibility. We further demonstrate the long-term operation of the setup in a magnetic field varying by about 200 μT amplitude without the need for recalibration.

  12. A three-axis SQUID-based absolute vector magnetometer

    SciTech Connect

    Schönau, T.; Schmelz, M.; Stolz, R.; Anders, S.; Linzen, S.; Meyer, H.-G.; Zakosarenko, V.; Meyer, M.

    2015-10-15

    We report on the development of a three-axis absolute vector magnetometer suited for mobile operation in the Earth’s magnetic field. It is based on low critical temperature dc superconducting quantum interference devices (LTS dc SQUIDs) with sub-micrometer sized cross-type Josephson junctions and exhibits a white noise level of about 10 fT/Hz{sup 1/2}. The width of superconducting strip lines is restricted to less than 6 μm in order to avoid flux trapping during cool-down in magnetically unshielded environment. The long-term stability of the flux-to-voltage transfer coefficients of the SQUID electronics is investigated in detail and a method is presented to significantly increase their reproducibility. We further demonstrate the long-term operation of the setup in a magnetic field varying by about 200 μT amplitude without the need for recalibration.

  13. Quantitative standards for absolute linguistic universals.

    PubMed

    Piantadosi, Steven T; Gibson, Edward

    2014-01-01

    Absolute linguistic universals are often justified by cross-linguistic analysis: If all observed languages exhibit a property, the property is taken to be a likely universal, perhaps specified in the cognitive or linguistic systems of language learners and users. In many cases, these patterns are then taken to motivate linguistic theory. Here, we show that cross-linguistic analysis will very rarely be able to statistically justify absolute, inviolable patterns in language. We formalize two statistical methods--frequentist and Bayesian--and show that in both it is possible to find strict linguistic universals, but that the numbers of independent languages necessary to do so is generally unachievable. This suggests that methods other than typological statistics are necessary to establish absolute properties of human language, and thus that many of the purported universals in linguistics have not received sufficient empirical justification.

  14. Error analysis in newborn screening: can quotients support the absolute values?

    PubMed

    Arneth, Borros; Hintz, Martin

    2017-03-01

    Newborn screening is performed using modern tandem mass spectrometry, which can simultaneously detect a variety of analytes, including several amino acids and fatty acids. Tandem mass spectrometry measures the diagnostic parameters as absolute concentrations and produces fragments which are used as markers of specific substances. Several prominent quotients can also be derived, which are quotients of two absolute measured concentrations. In this study, we determined the precision of both the absolute concentrations and the derived quotients. First, the measurement error of the absolute concentrations and the measurement error of the ratios were practically determined. Then, the Gaussian theory of error calculation was used. Finally, these errors were compared with one another. The practical analytical accuracies of the quotients were significantly higher (e.g., coefficient of variation (CV) = 5.1% for the phenylalanine to tyrosine (Phe/Tyr) quotient and CV = 5.6% for the Fisher quotient) than the accuracies of the absolute measured concentrations (mean CVs = 12%). According to our results, the ratios are analytically correct and, from an analytical point of view, can support the absolute values in finding the correct diagnosis.

  15. Absolute Distance Measurement with the MSTAR Sensor

    NASA Technical Reports Server (NTRS)

    Lay, Oliver P.; Dubovitsky, Serge; Peters, Robert; Burger, Johan; Ahn, Seh-Won; Steier, William H.; Fetterman, Harrold R.; Chang, Yian

    2003-01-01

    The MSTAR sensor (Modulation Sideband Technology for Absolute Ranging) is a new system for measuring absolute distance, capable of resolving the integer cycle ambiguity of standard interferometers, and making it possible to measure distance with sub-nanometer accuracy. The sensor uses a single laser in conjunction with fast phase modulators and low frequency detectors. We describe the design of the system - the principle of operation, the metrology source, beamlaunching optics, and signal processing - and show results for target distances up to 1 meter. We then demonstrate how the system can be scaled to kilometer-scale distances.

  16. Absolutely relative or relatively absolute: violations of value invariance in human decision making.

    PubMed

    Teodorescu, Andrei R; Moran, Rani; Usher, Marius

    2016-02-01

    Making decisions based on relative rather than absolute information processing is tied to choice optimality via the accumulation of evidence differences and to canonical neural processing via accumulation of evidence ratios. These theoretical frameworks predict invariance of decision latencies to absolute intensities that maintain differences and ratios, respectively. While information about the absolute values of the choice alternatives is not necessary for choosing the best alternative, it may nevertheless hold valuable information about the context of the decision. To test the sensitivity of human decision making to absolute values, we manipulated the intensities of brightness stimuli pairs while preserving either their differences or their ratios. Although asked to choose the brighter alternative relative to the other, participants responded faster to higher absolute values. Thus, our results provide empirical evidence for human sensitivity to task irrelevant absolute values indicating a hard-wired mechanism that precedes executive control. Computational investigations of several modelling architectures reveal two alternative accounts for this phenomenon, which combine absolute and relative processing. One account involves accumulation of differences with activation dependent processing noise and the other emerges from accumulation of absolute values subject to the temporal dynamics of lateral inhibition. The potential adaptive role of such choice mechanisms is discussed.

  17. Entropy production rate as a constraint for collisionless fluid closures

    SciTech Connect

    Fleurence, E.; Sarazin, Y.; Garbet, X.; Dif-Pradalier, G.; Ghendrih, Ph.; Grandgirard, V.; Ottaviani, M.

    2006-11-30

    A novel method is proposed to construct collisionless fluid closures accounting for some kinetic properties. The first dropped fluid moment is assumed to be a linear function of the lower order ones. Optimizing the agreement between the fluid and kinetic entropy production rates is used to constrain the coefficients of the linear development. This procedure is applied to a reduced version of the interchange instability. The closure, involving the absolute value of the wave vector, is non-local in real space. In this case, the linear instability thresholds are the same, and the linear growth rates exhibit similar characteristics. Such a method is applicable to other models and classes of instabilities.

  18. Test of variational transition state theory and multidimensional semiclassical transmission coefficient methods against accurate quantal rate constants for H + H/sub 2//HD, D + H/sub 2/, and O + H/sub 2//D/sub 2//HD, including intra- and intermolecular kinetic isotope effects

    SciTech Connect

    Garrett, B.C.; Truhlar, D.G.; Schatz, G.C.

    1986-05-28

    Rate constants and kinetic isotope effects for the title reactions have been calculated by using accurate quantum dynamical methods and used to test the accuracy of corresponding rate constants from conventional and variational transition state theory. The quantum dynamical rate constants are estimated to be within 35% of the exact rate constants for the potential surfaces chosen for this comparison. For all the reactions considered, the conventional and variational transition state theory rate constants with unit transmission coefficient are found to be very close to each other (better than 7%) but in poor agreement with the accurate quantum results (off by factors of 6-22 at 300 K). This indicates that although variational effects are small, tunnelling makes a very important contribution to the rate constants, and it is found that this tunnelling contribution is described quantitatively for all the reactions considered with use of the least action ground state (LAG) transmission coefficient. The combination of improved canonical variational theory (ICVT) and LAG yields rate constants which have an average error (considering all the reactions and temperatures studied) of 15% compared to the accurate quantum rate constants, and in only one case (D + H/sub 2/ at 200 K) does the ICVT/LAG rate constant differ by more than 35% from the accurate value. The comparison of ICVT/LAG kinetic isotope effects is found to be similarly good, with the worst comparisons occurring for intramolecular (X + HD) isotope ratios.

  19. Test of variational transition-state theory and multidimensional semiclassical transmission coefficient methods against accurate quantal rate constants for H + H/sub 2//HD, D + H/sub 2/, and O + H/sub 2//D/sub 2//HD, including intra- and intermolecular kinetic isotope effects

    SciTech Connect

    Garrett, B.C.; Truhlar, D.G.; Schatz, G.C.

    1986-01-01

    Rate constants and kinetic isotope effects for the title reactions were calculated using accurate quantum-dynamical methods, and used to test the accuracy of corresponding rate constants from conventional and variational transition-state theory. The quantum-dynamical rate constants are estimated to be within 35% of the exact rate constants for the potential energy surfaces chosen for this comparison. For all the reactions considered, the conventional and variational transition-state theory rate constants with unit transmission coefficient are found to be very close to each other (better than 7%), but in poor agreement with the accurate quantum results (off by factors of 6-22 at 300K). This indicates that although variational effects are small, tunneling makes a very important contribution to the rate constants, and it is found that the tunneling contribution is described quantitatively for all the reactions considered using the least-action ground state (LAG) transmission coefficient. The combination of improved canonical variational theory (ICVT) and LAG yields rate constants that have an average error (considering all the reactions and temperatures studied) of only 15% compared to the accurate quantal rate constants, and in only one case (D + H/sub 2/ at 200K) does the ICVT/LAG rate constant differ by more than 35% from the accurate value. The comparison of ICVT/LAG kinetic isotope effects is found to be similarly good, with worst comparisons occurring for intramolecular (X+HD) isotope ratios.

  20. Comparative vs. Absolute Judgments of Trait Desirability

    ERIC Educational Resources Information Center

    Hofstee, Willem K. B.

    1970-01-01

    Reversals of trait desirability are studied. Terms indicating conservativw behavior appeared to be judged relatively desirable in comparative judgement, while traits indicating dynamic and expansive behavior benefited from absolute judgement. The reversal effect was shown to be a general one, i.e. reversals were not dependent upon the specific…

  1. New Techniques for Absolute Gravity Measurements.

    DTIC Science & Technology

    1983-01-07

    Hammond, J.A. (1978) Bollettino Di Geofisica Teorica ed Applicata Vol. XX. 8. Hammond, J. A., and Iliff, R. L. (1979) The AFGL absolute gravity system...International Gravimetric Bureau, No. L:I-43. 7. Hammond. J.A. (1978) Bollettino Di Geofisica Teorica ed Applicata Vol. XX. 8. Hammond, J.A., and

  2. An Absolute Electrometer for the Physics Laboratory

    ERIC Educational Resources Information Center

    Straulino, S.; Cartacci, A.

    2009-01-01

    A low-cost, easy-to-use absolute electrometer is presented: two thin metallic plates and an electronic balance, usually available in a laboratory, are used. We report on the very good performance of the device that allows precise measurements of the force acting between two charged plates. (Contains 5 footnotes, 2 tables, and 6 figures.)

  3. Stimulus Probability Effects in Absolute Identification

    ERIC Educational Resources Information Center

    Kent, Christopher; Lamberts, Koen

    2016-01-01

    This study investigated the effect of stimulus presentation probability on accuracy and response times in an absolute identification task. Three schedules of presentation were used to investigate the interaction between presentation probability and stimulus position within the set. Data from individual participants indicated strong effects of…

  4. Absolute Positioning Using the Global Positioning System

    DTIC Science & Technology

    1994-04-01

    Global Positioning System ( GPS ) has becom a useful tool In providing relativ survey...Includes the development of a low cost navigator for wheeled vehicles. ABSTRACT The Global Positioning System ( GPS ) has become a useful tool In providing...technique of absolute or point positioning involves the use of a single Global Positioning System ( GPS ) receiver to determine the three-dimenslonal

  5. THE ABSOLUTE MAGNITUDES OF TYPE Ia SUPERNOVAE IN THE ULTRAVIOLET

    SciTech Connect

    Brown, Peter J.; Roming, Peter W. A.; Ciardullo, Robin; Gronwall, Caryl; Hoversten, Erik A.; Pritchard, Tyler; Milne, Peter; Bufano, Filomena; Mazzali, Paolo; Elias-Rosa, Nancy; Filippenko, Alexei V.; Li Weidong; Foley, Ryan J.; Hicken, Malcolm; Kirshner, Robert P.; Gehrels, Neil; Holland, Stephen T.; Immler, Stefan; Phillips, Mark M.; Still, Martin

    2010-10-01

    We examine the absolute magnitudes and light-curve shapes of 14 nearby (redshift z = 0.004-0.027) Type Ia supernovae (SNe Ia) observed in the ultraviolet (UV) with the Swift Ultraviolet/Optical Telescope. Colors and absolute magnitudes are calculated using both a standard Milky Way extinction law and one for the Large Magellanic Cloud that has been modified by circumstellar scattering. We find very different behavior in the near-UV filters (uvw1{sub rc} covering {approx}2600-3300 A after removing optical light, and u {approx} 3000-4000 A) compared to a mid-UV filter (uvm2 {approx}2000-2400 A). The uvw1{sub rc} - b colors show a scatter of {approx}0.3 mag while uvm2-b scatters by nearly 0.9 mag. Similarly, while the scatter in colors between neighboring filters is small in the optical and somewhat larger in the near-UV, the large scatter in the uvm2 - uvw1 colors implies significantly larger spectral variability below 2600 A. We find that in the near-UV the absolute magnitudes at peak brightness of normal SNe Ia in our sample are correlated with the optical decay rate with a scatter of 0.4 mag, comparable to that found for the optical in our sample. However, in the mid-UV the scatter is larger, {approx}1 mag, possibly indicating differences in metallicity. We find no strong correlation between either the UV light-curve shapes or the UV colors and the UV absolute magnitudes. With larger samples, the UV luminosity might be useful as an additional constraint to help determine distance, extinction, and metallicity in order to improve the utility of SNe Ia as standardized candles.

  6. Absolute Radiation Thermometry in the NIR

    NASA Astrophysics Data System (ADS)

    Bünger, L.; Taubert, R. D.; Gutschwager, B.; Anhalt, K.; Briaudeau, S.; Sadli, M.

    2017-04-01

    A near infrared (NIR) radiation thermometer (RT) for temperature measurements in the range from 773 K up to 1235 K was characterized and calibrated in terms of the "Mise en Pratique for the definition of the Kelvin" (MeP-K) by measuring its absolute spectral radiance responsivity. Using Planck's law of thermal radiation allows the direct measurement of the thermodynamic temperature independently of any ITS-90 fixed-point. To determine the absolute spectral radiance responsivity of the radiation thermometer in the NIR spectral region, an existing PTB monochromator-based calibration setup was upgraded with a supercontinuum laser system (0.45 μm to 2.4 μm) resulting in a significantly improved signal-to-noise ratio. The RT was characterized with respect to its nonlinearity, size-of-source effect, distance effect, and the consistency of its individual temperature measuring ranges. To further improve the calibration setup, a new tool for the aperture alignment and distance measurement was developed. Furthermore, the diffraction correction as well as the impedance correction of the current-to-voltage converter is considered. The calibration scheme and the corresponding uncertainty budget of the absolute spectral responsivity are presented. A relative standard uncertainty of 0.1 % (k=1) for the absolute spectral radiance responsivity was achieved. The absolute radiometric calibration was validated at four temperature values with respect to the ITS-90 via a variable temperature heatpipe blackbody (773 K ...1235 K) and at a gold fixed-point blackbody radiator (1337.33 K).

  7. Determination of optical absorption coefficient with focusing photoacoustic imaging.

    PubMed

    Li, Zhifang; Li, Hui; Zeng, Zhiping; Xie, Wenming; Chen, Wei R

    2012-06-01

    Absorption coefficient of biological tissue is an important factor for photothermal therapy and photoacoustic imaging. However, its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique to quantify the target optical absorption coefficient. It utilizes the ratio of the amplitude of the peak signal from the top boundary of the target to that from the bottom boundary based on wavelet transform. This method is self-calibrating. Factors, such as absolute optical fluence, ultrasound parameters, and Grüneisen parameter, can be canceled by dividing the amplitudes of the two peaks. To demonstrate this method, we quantified the optical absorption coefficient of a target with various concentrations of an absorbing dye. This method is particularly useful to provide accurate absorption coefficient for predicting the outcomes of photothermal interaction for cancer treatment with absorption enhancement.

  8. Centrifugal step emulsification applied for absolute quantification of nucleic acids by digital droplet RPA.

    PubMed

    Schuler, Friedrich; Schwemmer, Frank; Trotter, Martin; Wadle, Simon; Zengerle, Roland; von Stetten, Felix; Paust, Nils

    2015-07-07

    Aqueous microdroplets provide miniaturized reaction compartments for numerous chemical, biochemical or pharmaceutical applications. We introduce centrifugal step emulsification for the fast and easy production of monodisperse droplets. Homogenous droplets with pre-selectable diameters in a range from 120 μm to 170 μm were generated with coefficients of variation of 2-4% and zero run-in time or dead volume. The droplet diameter depends on the nozzle geometry (depth, width, and step size) and interfacial tensions only. Droplet size is demonstrated to be independent of the dispersed phase flow rate between 0.01 and 1 μl s(-1), proving the robustness of the centrifugal approach. Centrifugal step emulsification can easily be combined with existing centrifugal microfluidic unit operations, is compatible to scalable manufacturing technologies such as thermoforming or injection moulding and enables fast emulsification (>500 droplets per second and nozzle) with minimal handling effort (2-3 pipetting steps). The centrifugal microfluidic droplet generation was used to perform the first digital droplet recombinase polymerase amplification (ddRPA). It was used for absolute quantification of Listeria monocytogenes DNA concentration standards with a total analysis time below 30 min. Compared to digital droplet polymerase chain reaction (ddPCR), with processing times of about 2 hours, the overall processing time of digital analysis was reduced by more than a factor of 4.

  9. Optical absorption coefficients of pure water

    NASA Astrophysics Data System (ADS)

    Lu, Zheng; Zhao, Xianzhen; Fry, Edward S.

    2002-10-01

    The integrating cavity absorption meter(ICAM), which is independent of scattering effect, is used to measure the absolute values of small optical absorption coefficients of liquid. A modified ICAM is being used to measure the absorption of water in the wavelength range 300 to 700 nm. The ultrapure water produced by a two-stages water purification system reaches Type I quality. This is equal to or better than ASTM,CAP and NCCLS water quality standards. To avoid the fact that dissolved oxygen absorbs ultraviolet light due to the photochemical effect, the water sample is delivered through a nitrogen sealed system which will prevent the sample from contacting with oxygen. A compassion of our absorption spectrum with other existing data is given.

  10. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2008-10-21

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  11. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2007-07-03

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  12. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2007-10-02

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  13. Method of differential-phase/absolute-amplitude QAM

    SciTech Connect

    Dimsdle, Jeffrey William

    2009-09-01

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  14. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2007-07-17

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  15. Quantum bath refrigeration towards absolute zero: challenging the unattainability principle.

    PubMed

    Kolář, M; Gelbwaser-Klimovsky, D; Alicki, R; Kurizki, G

    2012-08-31

    A minimal model of a quantum refrigerator, i.e., a periodically phase-flipped two-level system permanently coupled to a finite-capacity bath (cold bath) and an infinite heat dump (hot bath), is introduced and used to investigate the cooling of the cold bath towards absolute zero (T=0). Remarkably, the temperature scaling of the cold-bath cooling rate reveals that it does not vanish as T→0 for certain realistic quantized baths, e.g., phonons in strongly disordered media (fractons) or quantized spin waves in ferromagnets (magnons). This result challenges Nernst's third-law formulation known as the unattainability principle.

  16. High Accuracy, Absolute, Cryogenic Refractive Index Measurements of Infrared Lens Materials for JWST NIRCam using CHARMS

    NASA Technical Reports Server (NTRS)

    Leviton, Douglas; Frey, Bradley

    2005-01-01

    The current refractive optical design of the James Webb Space Telescope (JWST) Near Infrared Camera (NIRCam) uses three infrared materials in its lenses: LiF, BaF2, and ZnSe. In order to provide the instrument s optical designers with accurate, heretofore unavailable data for absolute refractive index based on actual cryogenic measurements, two prismatic samples of each material were measured using the cryogenic, high accuracy, refraction measuring system (CHARMS) at NASA GSFC, densely covering the temperature range from 15 to 320 K and wavelength range from 0.4 to 5.6 microns. Measurement methods are discussed and graphical and tabulated data for absolute refractive index, dispersion, and thermo-optic coefficient for these three materials are presented along with estimates of uncertainty. Coefficients for second order polynomial fits of measured index to temperature are provided for many wavelengths to allow accurate interpolation of index to other wavelengths and temperatures.

  17. Quantifying colocalization by correlation: the Pearson correlation coefficient is superior to the Mander's overlap coefficient.

    PubMed

    Adler, Jeremy; Parmryd, Ingela

    2010-08-01

    The Pearson correlation coefficient (PCC) and the Mander's overlap coefficient (MOC) are used to quantify the degree of colocalization between fluorophores. The MOC was introduced to overcome perceived problems with the PCC. The two coefficients are mathematically similar, differing in the use of either the absolute intensities (MOC) or of the deviation from the mean (PCC). A range of correlated datasets, which extend to the limits of the PCC, only evoked a limited response from the MOC. The PCC is unaffected by changes to the offset while the MOC increases when the offset is positive. Both coefficients are independent of gain. The MOC is a confusing hybrid measurement, that combines correlation with a heavily weighted form of co-occurrence, favors high intensity combinations, downplays combinations in which either or both intensities are low and ignores blank pixels. The PCC only measures correlation. A surprising finding was that the addition of a second uncorrelated population can substantially increase the measured correlation, demonstrating the importance of excluding background pixels. Overall, since the MOC is unresponsive to substantial changes in the data and is hard to interpret, it is neither an alternative to nor a useful substitute for the PCC. The MOC is not suitable for making measurements of colocalization either by correlation or co-occurrence.

  18. The dynamic control ratio at the equilibrium point (DCRe): introducing relative and absolute reliability scores.

    PubMed

    Alt, Tobias; Knicker, Axel J; Strüder, Heiko K

    2017-04-01

    Analytical methods to assess thigh muscle balance need to provide reliable data to allow meaningful interpretation. However, reproducibility of the dynamic control ratio at the equilibrium point has not been evaluated yet. Therefore, the aim of this study was to compare relative and absolute reliability indices of its angle and moment values with conventional and functional hamstring-quadriceps ratios. Furthermore, effects of familiarisation and angular velocity on reproducibility were analysed. A number of 33 male volunteers participated in 3 identical test sessions. Peak moments (PMs) were determined unilaterally during maximum concentric and eccentric knee flexion (prone) and extension (supine position) at 0.53, 1.57 and 2.62 rad · s(-1). A repeated measure, ANOVA, confirmed systematic bias. Intra-class correlation coefficients and standard errors of measurement indicated relative and absolute reliability. Correlation coefficients were averaged over respective factors and tested for significant differences. All balance scores showed comparable low-to-moderate relative (<0.8-0.9) and good absolute reliability (<10%). Relative reproducibility of dynamic control equilibrium parameters augmented with increasing angular velocity, but not with familiarisation. At 2.62 rad · s(-1), high (moment: 0.906) to moderate (angle: 0.833) relative reliability scores with accordingly high absolute indices (4.9% and 6.4%) became apparent. Thus, the dynamic control equilibrium is an equivalent method for the reliable assessment of thigh muscle balance.

  19. From Hubble's NGSL to Absolute Fluxes

    NASA Technical Reports Server (NTRS)

    Heap, Sara R.; Lindler, Don

    2012-01-01

    Hubble's Next Generation Spectral Library (NGSL) consists of R-l000 spectra of 374 stars of assorted temperature, gravity, and metallicity. Each spectrum covers the wavelength range, 0.18-1.00 microns. The library can be viewed and/or downloaded from the website, http://archive.stsci.edu/prepds/stisngsll. Stars in the NGSL are now being used as absolute flux standards at ground-based observatories. However, the uncertainty in the absolute flux is about 2%, which does not meet the requirements of dark-energy surveys. We are therefore developing an observing procedure that should yield fluxes with uncertainties less than 1 % and will take part in an HST proposal to observe up to 15 stars using this new procedure.

  20. Consistent thermostatistics forbids negative absolute temperatures

    NASA Astrophysics Data System (ADS)

    Dunkel, Jörn; Hilbert, Stefan

    2014-01-01

    Over the past 60 years, a considerable number of theories and experiments have claimed the existence of negative absolute temperature in spin systems and ultracold quantum gases. This has led to speculation that ultracold gases may be dark-energy analogues and also suggests the feasibility of heat engines with efficiencies larger than one. Here, we prove that all previous negative temperature claims and their implications are invalid as they arise from the use of an entropy definition that is inconsistent both mathematically and thermodynamically. We show that the underlying conceptual deficiencies can be overcome if one adopts a microcanonical entropy functional originally derived by Gibbs. The resulting thermodynamic framework is self-consistent and implies that absolute temperature remains positive even for systems with a bounded spectrum. In addition, we propose a minimal quantum thermometer that can be implemented with available experimental techniques.

  1. Absolute measurement of length with nanometric resolution

    NASA Astrophysics Data System (ADS)

    Apostol, D.; Garoi, F.; Timcu, A.; Damian, V.; Logofatu, P. C.; Nascov, V.

    2005-08-01

    Laser interferometer displacement measuring transducers have a well-defined traceability route to the definition of the meter. The laser interferometer is de-facto length scale for applications in micro and nano technologies. However their physical unit -half lambda is too large for nanometric resolution. Fringe interpolation-usual technique to improve the resolution-lack of reproducibility could be avoided using the principles of absolute distance measurement. Absolute distance refers to the use of interferometric techniques for determining the position of an object without the necessity of measuring continuous displacements between points. The interference pattern as produced by the interference of two point-like coherent sources is fitted to a geometric model so as to determine the longitudinal location of the target by minimizing least square errors. The longitudinal coordinate of the target was measured with accuracy better than 1 nm, for a target position range of 0.4μm.

  2. Asteroid absolute magnitudes and slope parameters

    NASA Technical Reports Server (NTRS)

    Tedesco, Edward F.

    1991-01-01

    A new listing of absolute magnitudes (H) and slope parameters (G) has been created and published in the Minor Planet Circulars; this same listing will appear in the 1992 Ephemerides of Minor Planets. Unlike previous listings, the values of the current list were derived from fits of data at the V band. All observations were reduced in the same fashion using, where appropriate, a single basis default value of 0.15 for the slope parameter. Distances and phase angles were computed for each observation. The data for 113 asteroids was of sufficiently high quality to permit derivation of their H and G. These improved absolute magnitudes and slope parameters will be used to deduce the most reliable bias-corrected asteroid size-frequency distribution yet made.

  3. Computer processing of spectrograms for absolute intensities.

    PubMed

    Guttman, A; Golden, J; Galbraith, H J

    1967-09-01

    A computer program was developed to process photographically recorded spectra for absolute intensity. Test and calibration films are subjected to densitometric scans that provide digitally recorded densities on magnetic tapes. The nonlinear calibration data are fitted by least-squares cubic polynomials to yield a good approximation to the monochromatic H&D curves for commonly used emulsions (2475 recording film, Royal-X, Tri-X, 4-X). Several test cases were made. Results of these cases show that the machine processed absolute intensities are accurate to within 15%o. Arbitrarily raising the sensitivity threshold by 0.1 density units above gross fog yields cubic polynomial fits to the H&D curves that are radiometrically accurate within 10%. In addition, curves of gamma vs wavelength for 2475, Tri-X, and 4-X emulsions were made. These data show slight evidence of the photographic Purkinje effect in the 2475 emulsion.

  4. An absolute measure for a key currency

    NASA Astrophysics Data System (ADS)

    Oya, Shunsuke; Aihara, Kazuyuki; Hirata, Yoshito

    It is generally considered that the US dollar and the euro are the key currencies in the world and in Europe, respectively. However, there is no absolute general measure for a key currency. Here, we investigate the 24-hour periodicity of foreign exchange markets using a recurrence plot, and define an absolute measure for a key currency based on the strength of the periodicity. Moreover, we analyze the time evolution of this measure. The results show that the credibility of the US dollar has not decreased significantly since the Lehman shock, when the Lehman Brothers bankrupted and influenced the economic markets, and has increased even relatively better than that of the euro and that of the Japanese yen.

  5. Probing absolute spin polarization at the nanoscale.

    PubMed

    Eltschka, Matthias; Jäck, Berthold; Assig, Maximilian; Kondrashov, Oleg V; Skvortsov, Mikhail A; Etzkorn, Markus; Ast, Christian R; Kern, Klaus

    2014-12-10

    Probing absolute values of spin polarization at the nanoscale offers insight into the fundamental mechanisms of spin-dependent transport. Employing the Zeeman splitting in superconducting tips (Meservey-Tedrow-Fulde effect), we introduce a novel spin-polarized scanning tunneling microscopy that combines the probing capability of the absolute values of spin polarization with precise control at the atomic scale. We utilize our novel approach to measure the locally resolved spin polarization of magnetic Co nanoislands on Cu(111). We find that the spin polarization is enhanced by 65% when increasing the width of the tunnel barrier by only 2.3 Å due to the different decay of the electron orbitals into vacuum.

  6. Absolute and relative dosimetry for ELIMED

    NASA Astrophysics Data System (ADS)

    Cirrone, G. A. P.; Cuttone, G.; Candiano, G.; Carpinelli, M.; Leonora, E.; Lo Presti, D.; Musumarra, A.; Pisciotta, P.; Raffaele, L.; Randazzo, N.; Romano, F.; Schillaci, F.; Scuderi, V.; Tramontana, A.; Cirio, R.; Marchetto, F.; Sacchi, R.; Giordanengo, S.; Monaco, V.

    2013-07-01

    The definition of detectors, methods and procedures for the absolute and relative dosimetry of laser-driven proton beams is a crucial step toward the clinical use of this new kind of beams. Hence, one of the ELIMED task, will be the definition of procedures aiming to obtain an absolute dose measure at the end of the transport beamline with an accuracy as close as possible to the one required for clinical applications (i.e. of the order of 5% or less). Relative dosimetry procedures must be established, as well: they are necessary in order to determine and verify the beam dose distributions and to monitor the beam fluence and the energetic spectra during irradiations. Radiochromic films, CR39, Faraday Cup, Secondary Emission Monitor (SEM) and transmission ionization chamber will be considered, designed and studied in order to perform a fully dosimetric characterization of the ELIMED proton beam.

  7. Silicon Absolute X-Ray Detectors

    SciTech Connect

    Seely, John F.; Korde, Raj; Sprunck, Jacob; Medjoubi, Kadda; Hustache, Stephanie

    2010-06-23

    The responsivity of silicon photodiodes having no loss in the entrance window, measured using synchrotron radiation in the 1.75 to 60 keV range, was compared to the responsivity calculated using the silicon thickness measured using near-infrared light. The measured and calculated responsivities agree with an average difference of 1.3%. This enables their use as absolute x-ray detectors.

  8. Negative absolute temperature for mobile particles

    NASA Astrophysics Data System (ADS)

    Braun, Simon; Ronzheimer, Philipp; Schreiber, Michael; Hodgman, Sean; Bloch, Immanuel; Schneider, Ulrich

    2013-05-01

    Absolute temperature is usually bound to be strictly positive. However, negative absolute temperature states, where the occupation probability of states increases with their energy, are possible in systems with an upper energy bound. So far, such states have only been demonstrated in localized spin systems with finite, discrete spectra. We realized a negative absolute temperature state for motional degrees of freedom with ultracold bosonic 39K atoms in an optical lattice, by implementing the attractive Bose-Hubbard Hamiltonian. This new state strikingly revealed itself by a quasimomentum distribution that is peaked at maximum kinetic energy. The measured kinetic energy distribution and the extracted negative temperature indicate that the ensemble is close to degeneracy, with coherence over several lattice sites. The state is as stable as a corresponding positive temperature state: The negative temperature stabilizes the system against mean-field collapse driven by negative pressure. Negative temperatures open up new parameter regimes for cold atoms, enabling fundamentally new many-body states. Additionally, they give rise to several counterintuitive effects such as heat engines with above unity efficiency.

  9. Measurement of absolute gravity acceleration in Firenze

    NASA Astrophysics Data System (ADS)

    de Angelis, M.; Greco, F.; Pistorio, A.; Poli, N.; Prevedelli, M.; Saccorotti, G.; Sorrentino, F.; Tino, G. M.

    2011-01-01

    This paper reports the results from the accurate measurement of the acceleration of gravity g taken at two separate premises in the Polo Scientifico of the University of Firenze (Italy). In these laboratories, two separate experiments aiming at measuring the Newtonian constant and testing the Newtonian law at short distances are in progress. Both experiments require an independent knowledge on the local value of g. The only available datum, pertaining to the italian zero-order gravity network, was taken more than 20 years ago at a distance of more than 60 km from the study site. Gravity measurements were conducted using an FG5 absolute gravimeter, and accompanied by seismic recordings for evaluating the noise condition at the site. The absolute accelerations of gravity at the two laboratories are (980 492 160.6 ± 4.0) μGal and (980 492 048.3 ± 3.0) μGal for the European Laboratory for Non-Linear Spectroscopy (LENS) and Dipartimento di Fisica e Astronomia, respectively. Other than for the two referenced experiments, the data here presented will serve as a benchmark for any future study requiring an accurate knowledge of the absolute value of the acceleration of gravity in the study region.

  10. System for absolute measurements by interferometric sensors

    NASA Astrophysics Data System (ADS)

    Norton, Douglas A.

    1993-03-01

    The most common problem of interferometric sensors is their inability to measure absolute path imbalance. Presented in this paper is a signal processing system that gives absolute, unambiguous reading of optical path difference for almost any style of interferometric sensor. Key components are a wide band (incoherent) optical source, a polychromator, and FFT electronics. Advantages include no moving parts in the signal processor, no active components at the sensor location, and the use of standard single mode fiber for sensor illumination and signal transmission. Actual absolute path imbalance of the interferometer is determined without using fringe counting or other inferential techniques. The polychromator extracts the interference information that occurs at each discrete wavelength within the spectral band of the optical source. The signal processing consists of analog and digital filtering, Fast Fourier analysis, and a peak detection and interpolation algorithm. This system was originally designed for use in a remote pressure sensing application that employed a totally passive fiber optic interferometer. A performance qualification was made using a Fabry-Perot interferometer and a commercially available laser interferometer to measure the reference displacement.

  11. Chemical composition of French mimosa absolute oil.

    PubMed

    Perriot, Rodolphe; Breme, Katharina; Meierhenrich, Uwe J; Carenini, Elise; Ferrando, Georges; Baldovini, Nicolas

    2010-02-10

    Since decades mimosa (Acacia dealbata) absolute oil has been used in the flavor and perfume industry. Today, it finds an application in over 80 perfumes, and its worldwide industrial production is estimated five tons per year. Here we report on the chemical composition of French mimosa absolute oil. Straight-chain analogues from C6 to C26 with different functional groups (hydrocarbons, esters, aldehydes, diethyl acetals, alcohols, and ketones) were identified in the volatile fraction. Most of them are long-chain molecules: (Z)-heptadec-8-ene, heptadecane, nonadecane, and palmitic acid are the most abundant, and constituents such as 2-phenethyl alcohol, methyl anisate, and ethyl palmitate are present in smaller amounts. The heavier constituents were mainly triterpenoids such as lupenone and lupeol, which were identified as two of the main components. (Z)-Heptadec-8-ene, lupenone, and lupeol were quantified by GC-MS in SIM mode using external standards and represents 6%, 20%, and 7.8% (w/w) of the absolute oil. Moreover, odorant compounds were extracted by SPME and analyzed by GC-sniffing leading to the perception of 57 odorant zones, of which 37 compounds were identified by their odorant description, mass spectrum, retention index, and injection of the reference compound.

  12. Constrained Least Absolute Deviation Neural Networks

    PubMed Central

    Wang, Zhishun; Peterson, Bradley S.

    2008-01-01

    It is well known that least absolute deviation (LAD) criterion or L1-norm used for estimation of parameters is characterized by robustness, i.e., the estimated parameters are totally resistant (insensitive) to large changes in the sampled data. This is an extremely useful feature, especially, when the sampled data are known to be contaminated by occasionally occurring outliers or by spiky noise. In our previous works, we have proposed the least absolute deviation neural network (LADNN) to solve unconstrained LAD problems. The theoretical proofs and numerical simulations have shown that the LADNN is Lyapunov-stable and it can globally converge to the exact solution to a given unconstrained LAD problem. We have also demonstrated its excellent application value in time-delay estimation. More generally, a practical LAD application problem may contain some linear constraints, such as a set of equalities and/or inequalities, which is called constrained LAD problem, whereas the unconstrained LAD can be considered as a special form of the constrained LAD. In this paper, we present a new neural network called constrained least absolute deviation neural network (CLADNN) to solve general constrained LAD problems. Theoretical proofs and numerical simulations demonstrate that the proposed CLADNN is Lyapunov stable and globally converges to the exact solution to a given constrained LAD problem, independent of initial values. The numerical simulations have also illustrated that the proposed CLADNN can be used to robustly estimate parameters for nonlinear curve fitting, which is extensively used in signal and image processing. PMID:18269958

  13. Pre-Launch Absolute Calibration of CCD/CBERS-2B Sensor

    PubMed Central

    Ponzoni, Flávio Jorge; Albuquerque, Bráulio Fonseca Carneiro

    2008-01-01

    Pre-launch absolute calibration coefficients for the CCD/CBERS-2B sensor have been calculated from radiometric measurements performed in a satellite integration and test hall in the Chinese Academy of Space Technology (CAST) headquarters, located in Beijing, China. An illuminated integrating sphere was positioned in the test hall facilities to allow the CCD/CBERS-2B imagery of the entire sphere aperture. Calibration images were recorded and a relative calibration procedure adopted exclusively in Brazil was applied to equalize the detectors responses. Averages of digital numbers (DN) from these images were determined and correlated to their respective radiance levels in order to calculate the absolute calibration coefficients. It has been the first time these pre-launch absolute calibration coefficients have been calculated considering the Brazilian image processing criteria. Now it will be possible to compare them to those that will be calculated from vicarious calibration campaigns. This comparison will permit the CCD/CBERS-2B monitoring and the frequently data updating to the user community. PMID:27873886

  14. Pre-Launch Absolute Calibration of CCD/CBERS-2B Sensor.

    PubMed

    Ponzoni, Flávio Jorge; Albuquerque, Bráulio Fonseca Carneiro

    2008-10-23

    Pre-launch absolute calibration coefficients for the CCD/CBERS-2B sensor have been calculated from radiometric measurements performed in a satellite integration and test hall in the Chinese Academy of Space Technology (CAST) headquarters, located in Beijing, China. An illuminated integrating sphere was positioned in the test hall facilities to allow the CCD/CBERS-2B imagery of the entire sphere aperture. Calibration images were recorded and a relative calibration procedure adopted exclusively in Brazil was applied to equalize the detectors responses. Averages of digital numbers (DN) from these images were determined and correlated to their respective radiance levels in order to calculate the absolute calibration coefficients. It has been the first time these pre-launch absolute calibration coefficients have been calculated considering the Brazilian image processing criteria. Now it will be possible to compare them to those that will be calculated from vicarious calibration campaigns. This comparison will permit the CCD/CBERS-2B monitoring and the frequently data updating to the user community.

  15. Temperature-dependent Absolute Refractive Index Measurements of Synthetic Fused Silica

    NASA Technical Reports Server (NTRS)

    Leviton, Douglas B.; Frey, Bradley J.

    2006-01-01

    Using the Cryogenic, High-Accuracy Refraction Measuring System (CHARMS) at NASA's Goddard Space Flight Center, we have measured the absolute refractive index of five specimens taken from a very large boule of Corning 7980 fused silica from temperatures ranging from 30 to 310 K at wavelengths from 0.4 to 2.6 microns with an absolute uncertainty of plus or minus 1 x 10 (exp -5). Statistical variations in derived values of the thermo-optic coefficient (dn/dT) are at the plus or minus 2 x 10 (exp -8)/K level. Graphical and tabulated data for absolute refractive index, dispersion, and thermo-optic coefficient are presented for selected wavelengths and temperatures along with estimates of uncertainty in index. Coefficients for temperature-dependent Sellmeier fits of measured refractive index are also presented to allow accurate interpolation of index to other wavelengths and temperatures. We compare our results to those from an independent investigation (which used an interferometric technique for measuring index changes as a function of temperature) whose samples were prepared from the same slugs of material from which our prisms were prepared in support of the Kepler mission. We also compare our results with sparse cryogenic index data from measurements of this material from the literature.

  16. Zonal and tesseral harmonic coefficients for the geopotential function, from zero to 18th order

    NASA Technical Reports Server (NTRS)

    Kirkpatrick, J. C.

    1976-01-01

    Zonal and tesseral harmonic coefficients for the geopotential function are usually tabulated in normalized form to provide immediate information as to the relative significance of the coefficients in the gravity model. The normalized form of the geopotential coefficients cannot be used for computational purposes unless the gravity model has been modified to receive them. This modification is usually not done because the absolute or unnormalized form of the coefficients can be obtained from the simple mathematical relationship that relates the two forms. This computation can be quite tedious for hand calculation, especially for the higher order terms, and can be costly in terms of storage and execution time for machine computation. In this report, zonal and tesseral harmonic coefficients for the geopotential function are tabulated in absolute or unnormalized form. The report is designed to be used as a ready reference for both hand and machine calculation to save the user time and effort.

  17. Negative Temperature Coefficient in Chemical Reactions

    NASA Astrophysics Data System (ADS)

    Leenson, I. A.; Sergeev, Gleb B.

    1984-05-01

    A systematic analysis of reactions whose rate decreases with increase of temperature is presented. The possibility of a negative temperature coefficient in the elementary reactions is examined from the standpoint of the transition state theory and of collision theory. The mechanisms of complex reactions in which the temperature dependence of the rate is anomalous are discussed, and possible reasons for the anomaly are examined. The bibliography contains 175 references.

  18. Absolute rotation detection by Coriolis force measurement using optomechanics

    NASA Astrophysics Data System (ADS)

    Davuluri, Sankar; Li, Yong

    2016-10-01

    In this article, we present an application of the optomechanical cavities for absolute rotation detection. Two optomechanical cavities, one in each arm, are placed in a Michelson interferometer. The interferometer is placed on a rotating table and is moved with a uniform velocity of \\dot{\\bar{y}} with respect to the rotating table. The Coriolis force acting on the interferometer changes the length of the optomechanical cavity in one arm, while the length of the optomechanical cavity in the other arm is not changed. The phase shift corresponding to the change in the optomechanical cavity length is measured at the interferometer output to estimate the angular velocity of the absolute rotation. An analytic expression for the minimum detectable rotation rate corresponding to the standard quantum limit of measurable Coriolis force in the interferometer is derived. Squeezing technique is discussed to improve the rotation detection sensitivity by a factor of \\sqrt{{γ }m/{ω }m} at 0 K temperature, where {γ }m and {ω }m are the damping rate and angular frequency of the mechanical oscillator. The temperature dependence of the rotation detection sensitivity is studied.

  19. Absolute calibration of the EnviSat-1 radar altimeter

    NASA Astrophysics Data System (ADS)

    Roca, Monica; Francis, Richard

    1998-12-01

    The EnviSat-1 satellite will embark an innovative radar altimeter. The calibration of the measurements of range from this instrument will be performed using novel techniques. The range measurement will be calibrated absolutely by establishing the actual geocentric sea-level along the sub- satellite tracks. These tracks are located in a limited and well-controlled region in the western Mediterranean and will include a number of fully-equipped individual sites which will provide higher confidence in the overall analysis, combined with data from the whole area at lower weight. The determination of the geocentric sea-level is performed using tide gauges and geodetic means such as leveling and floating GPS receivers. The altimeter sea-level is derived from the altimeter range corrected for propagation effects and sea- state bias, and a precise restitution of the trajectory of the satellite. These measurements comprise three vectors: range, orbital height and sea-surface height. The difference between orbital-height minus range, and sea-surface height provides the bias. The backscatter coefficient measured by previous altimeters has not been absolutely calibrated. An emerging application of the RA-2 in investigation of surface properties has identified the need to perform this calibration. A number of techniques are under study to determine the feasibility of meeting this need, including the use of well-controlled natural targets, the use of the altimeter receiver as a passive radiometer in order to determine its gain and the use of a transponder to return a precisely known return echo power to the radar.

  20. Onsager coefficients of a Brownian Carnot cycle

    NASA Astrophysics Data System (ADS)

    Izumida, Y.; Okuda, K.

    2010-10-01

    We study a Brownian Carnot cycle introduced by Schmiedl and Seifert [Europhys. Lett. 81, 20003 (2008)] from a viewpoint of the linear irreversible thermodynamics. By considering the entropy production rate of this cycle, we can determine thermodynamic forces and fluxes of the cycle and calculate the Onsager coefficients for general protocols, that is, arbitrary schedules to change the potential confining the Brownian particle. We show that these Onsager coefficients contain the information of the protocol shape and they satisfy the tight-coupling condition irrespective of whatever protocol shape we choose. These properties may give an explanation why the Curzon-Ahlborn efficiency often appears in the finite-time heat engines.

  1. Clock time is absolute and universal

    NASA Astrophysics Data System (ADS)

    Shen, Xinhang

    2015-09-01

    A critical error is found in the Special Theory of Relativity (STR): mixing up the concepts of the STR abstract time of a reference frame and the displayed time of a physical clock, which leads to use the properties of the abstract time to predict time dilation on physical clocks and all other physical processes. Actually, a clock can never directly measure the abstract time, but can only record the result of a physical process during a period of the abstract time such as the number of cycles of oscillation which is the multiplication of the abstract time and the frequency of oscillation. After Lorentz Transformation, the abstract time of a reference frame expands by a factor gamma, but the frequency of a clock decreases by the same factor gamma, and the resulting multiplication i.e. the displayed time of a moving clock remains unchanged. That is, the displayed time of any physical clock is an invariant of Lorentz Transformation. The Lorentz invariance of the displayed times of clocks can further prove within the framework of STR our earth based standard physical time is absolute, universal and independent of inertial reference frames as confirmed by both the physical fact of the universal synchronization of clocks on the GPS satellites and clocks on the earth, and the theoretical existence of the absolute and universal Galilean time in STR which has proved that time dilation and space contraction are pure illusions of STR. The existence of the absolute and universal time in STR has directly denied that the reference frame dependent abstract time of STR is the physical time, and therefore, STR is wrong and all its predictions can never happen in the physical world.

  2. Absolute Radiometric Calibration of EUNIS-06

    NASA Technical Reports Server (NTRS)

    Thomas, R. J.; Rabin, D. M.; Kent, B. J.; Paustian, W.

    2007-01-01

    The Extreme-Ultraviolet Normal-Incidence Spectrometer (EUNIS) is a soundingrocket payload that obtains imaged high-resolution spectra of individual solar features, providing information about the Sun's corona and upper transition region. Shortly after its successful initial flight last year, a complete end-to-end calibration was carried out to determine the instrument's absolute radiometric response over its Longwave bandpass of 300 - 370A. The measurements were done at the Rutherford-Appleton Laboratory (RAL) in England, using the same vacuum facility and EUV radiation source used in the pre-flight calibrations of both SOHO/CDS and Hinode/EIS, as well as in three post-flight calibrations of our SERTS sounding rocket payload, the precursor to EUNIS. The unique radiation source provided by the Physikalisch-Technische Bundesanstalt (PTB) had been calibrated to an absolute accuracy of 7% (l-sigma) at 12 wavelengths covering our bandpass directly against the Berlin electron storage ring BESSY, which is itself a primary radiometric source standard. Scans of the EUNIS aperture were made to determine the instrument's absolute spectral sensitivity to +- 25%, considering all sources of error, and demonstrate that EUNIS-06 was the most sensitive solar E W spectrometer yet flown. The results will be matched against prior calibrations which relied on combining measurements of individual optical components, and on comparisons with theoretically predicted 'insensitive' line ratios. Coordinated observations were made during the EUNIS-06 flight by SOHO/CDS and EIT that will allow re-calibrations of those instruments as well. In addition, future EUNIS flights will provide similar calibration updates for TRACE, Hinode/EIS, and STEREO/SECCHI/EUVI.

  3. Achieving Climate Change Absolute Accuracy in Orbit

    NASA Technical Reports Server (NTRS)

    Wielicki, Bruce A.; Young, D. F.; Mlynczak, M. G.; Thome, K. J; Leroy, S.; Corliss, J.; Anderson, J. G.; Ao, C. O.; Bantges, R.; Best, F.; Bowman, K.; Brindley, H.; Butler, J. J.; Collins, W.; Dykema, J. A.; Doelling, D. R.; Feldman, D. R.; Fox, N.; Huang, X.; Holz, R.; Huang, Y.; Jennings, D.; Jin, Z.; Johnson, D. G.; Jucks, K.; Kato, S.; Kratz, D. P.; Liu, X.; Lukashin, C.; Mannucci, A. J.; Phojanamongkolkij, N.; Roithmayr, C. M.; Sandford, S.; Taylor, P. C.; Xiong, X.

    2013-01-01

    The Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission will provide a calibration laboratory in orbit for the purpose of accurately measuring and attributing climate change. CLARREO measurements establish new climate change benchmarks with high absolute radiometric accuracy and high statistical confidence across a wide range of essential climate variables. CLARREO's inherently high absolute accuracy will be verified and traceable on orbit to Système Internationale (SI) units. The benchmarks established by CLARREO will be critical for assessing changes in the Earth system and climate model predictive capabilities for decades into the future as society works to meet the challenge of optimizing strategies for mitigating and adapting to climate change. The CLARREO benchmarks are derived from measurements of the Earth's thermal infrared spectrum (5-50 micron), the spectrum of solar radiation reflected by the Earth and its atmosphere (320-2300 nm), and radio occultation refractivity from which accurate temperature profiles are derived. The mission has the ability to provide new spectral fingerprints of climate change, as well as to provide the first orbiting radiometer with accuracy sufficient to serve as the reference transfer standard for other space sensors, in essence serving as a "NIST [National Institute of Standards and Technology] in orbit." CLARREO will greatly improve the accuracy and relevance of a wide range of space-borne instruments for decadal climate change. Finally, CLARREO has developed new metrics and methods for determining the accuracy requirements of climate observations for a wide range of climate variables and uncertainty sources. These methods should be useful for improving our understanding of observing requirements for most climate change observations.

  4. Brownian motion: Absolute negative particle mobility

    NASA Astrophysics Data System (ADS)

    Ros, Alexandra; Eichhorn, Ralf; Regtmeier, Jan; Duong, Thanh Tu; Reimann, Peter; Anselmetti, Dario

    2005-08-01

    Noise effects in technological applications, far from being a nuisance, can be exploited with advantage - for example, unavoidable thermal fluctuations have found application in the transport and sorting of colloidal particles and biomolecules. Here we use a microfluidic system to demonstrate a paradoxical migration mechanism in which particles always move in a direction opposite to the net acting force (`absolute negative mobility') as a result of an interplay between thermal noise, a periodic and symmetric microstructure, and a biased alternating-current electric field. This counterintuitive phenomenon could be used for bioanalytical purposes, for example in the separation and fractionation of colloids, biological molecules and cells.

  5. Arbitrary segments of absolute negative mobility

    NASA Astrophysics Data System (ADS)

    Chen, Ruyin; Nie, Linru; Chen, Chongyang; Wang, Chaojie

    2017-01-01

    In previous research work, investigators have reported only one or two segments of absolute negative mobility (ANM) in a periodic potential. In fact, many segments of ANM also occur in the system considered here. We investigate transport of an inertial particle in a gating ratchet periodic potential subjected to a constant bias force. Our numerical results show that its mean velocity can decrease with the bias force increasing, i.e. ANM phenomenon. Furthermore, the ANM can take place arbitrary segments, even up to more than thirty. Intrinsic physical mechanism and conditions for arbitrary segments of ANM to occur are discussed in detail.

  6. Absolute quantification of myocardial blood flow.

    PubMed

    Yoshinaga, Keiichiro; Manabe, Osamu; Tamaki, Nagara

    2016-07-21

    With the increasing availability of positron emission tomography (PET) myocardial perfusion imaging, the absolute quantification of myocardial blood flow (MBF) has become popular in clinical settings. Quantitative MBF provides an important additional diagnostic or prognostic information over conventional visual assessment. The success of MBF quantification using PET/computed tomography (CT) has increased the demand for this quantitative diagnostic approach to be more accessible. In this regard, MBF quantification approaches have been developed using several other diagnostic imaging modalities including single-photon emission computed tomography, CT, and cardiac magnetic resonance. This review will address the clinical aspects of PET MBF quantification and the new approaches to MBF quantification.

  7. An absolute radius scale for Saturn's rings

    NASA Technical Reports Server (NTRS)

    Nicholson, Philip D.; Cooke, Maren L.; Pelton, Emily

    1990-01-01

    Radio and stellar occultation observations of Saturn's rings made by the Voyager spacecraft are discussed. The data reveal systematic discrepancies of almost 10 km in some parts of the rings, limiting some of the investigations. A revised solution for Saturn's rotation pole has been proposed which removes the discrepancies between the stellar and radio occultation profiles. Corrections to previously published radii vary from -2 to -10 km for the radio occultation, and +5 to -6 km for the stellar occultation. An examination of spiral density waves in the outer A Ring supports that the revised absolute radii are in error by no more than 2 km.

  8. Absolute method of measuring magnetic susceptibility

    USGS Publications Warehouse

    Thorpe, A.; Senftle, F.E.

    1959-01-01

    An absolute method of standardization and measurement of the magnetic susceptibility of small samples is presented which can be applied to most techniques based on the Faraday method. The fact that the susceptibility is a function of the area under the curve of sample displacement versus distance of the magnet from the sample, offers a simple method of measuring the susceptibility without recourse to a standard sample. Typical results on a few substances are compared with reported values, and an error of less than 2% can be achieved. ?? 1959 The American Institute of Physics.

  9. Absolute Priority for a Vehicle in VANET

    NASA Astrophysics Data System (ADS)

    Shirani, Rostam; Hendessi, Faramarz; Montazeri, Mohammad Ali; Sheikh Zefreh, Mohammad

    In today's world, traffic jams waste hundreds of hours of our life. This causes many researchers try to resolve the problem with the idea of Intelligent Transportation System. For some applications like a travelling ambulance, it is important to reduce delay even for a second. In this paper, we propose a completely infrastructure-less approach for finding shortest path and controlling traffic light to provide absolute priority for an emergency vehicle. We use the idea of vehicular ad-hoc networking to reduce the imposed travelling time. Then, we simulate our proposed protocol and compare it with a centrally controlled traffic light system.

  10. Ozone absorption coefficients' role in Dobson instrument ozone measurement accuracy

    NASA Astrophysics Data System (ADS)

    Basher, R. E.

    1982-11-01

    The differences of 10% or more between the laboratory measurements of UV absorption coefficients by different investigators indicate accuracies that are quite inadequate for current needs in the measurement of atmospheric ozone. The standard band-integrated set of coefficients now used with the Dobson instrument are mutually consistent to about 2%, but their absolute accuracy is still in question. The accurate calculation of band-integrated coefficients must take account of their dependence on source spectral irradiance, atmospheric spectral transmittance, mean ozone temperature, and instrument spectral transmittance. A careful examination shows that Komhyr's (1980) case for an error of about +5% in the standard Dobson AD ozone estimation is subject to large uncertainties and certain lacks of independence. The obvious solution to this accuracy problem lies in better laboratory measurements of ozone absorption.

  11. On determination of sign of the piezo-optic coefficients using torsion method.

    PubMed

    Vasylkiv, Yurij; Savaryn, Viktoriya; Smaga, Ihor; Skab, Ihor; Vlokh, Rostyslav

    2011-06-10

    We have shown that a high-accuracy torsion method recently developed by the authors for measuring piezo-optic coefficients allows determining not only the absolute value of the coefficients but also their sign. The techniques and experimental procedures used for determination of the sign are described in detail and proven based on studies of α-BaB2O4 and LiNbO3 crystals. The piezo-optic coefficients are determined for both crystals, and a combination of the corresponding photoelastic coefficients is determined for the case of α-BaB2O4 crystals.

  12. Absolute Spectrophotometry of 237 Open Cluster Stars

    NASA Astrophysics Data System (ADS)

    Clampitt, L.; Burstein, D.

    1994-12-01

    We present absolute spectrophotometry of 237 stars in 7 nearby open clusters: Hyades, Pleiades, Alpha Persei, Praesepe, Coma Berenices, IC 4665, and M 39. The observations were taken using the Wampler single-channel scanner (Wampler 1966) on the Crossley 0.9m telescope at Lick Observatory from July 1973 through December 1974. 21 bandpasses spanning the spectral range 3500 Angstroms to 7780 Angstroms were observed for each star, with bandwiths ranging from 32Angstroms to 64 Angstroms. Data are standardized to the Hayes--Latham (1975) system. Our measurements are compared to filter colors on the Johnson BV, Stromgren ubvy, and Geneva U V B_1 B_2 V_1 G systems, as well as to spectrophotometry of a few stars published by Gunn, Stryker & Tinsley and in the Spectrophotometric Standards Catalog (Adelman; as distributed by the NSSDC). Both internal and external comparisons to the filter systems indicate a formal statistical accuracy per bandpass of 0.01 to 0.02 mag, with apparent larger ( ~ 0.03 mag) differences in absolute calibration between this data set and existing spectrophotometry. These data will comprise part of the spectrophotometry that will be used to calibrate the Beijing-Arizona-Taipei-Connecticut Color Survey of the Sky (see separate paper by Burstein et al. at this meeting).

  13. Linear ultrasonic motor for absolute gravimeter.

    PubMed

    Jian, Yue; Yao, Zhiyuan; Silberschmidt, Vadim V

    2017-02-01

    Thanks to their compactness and suitability for vacuum applications, linear ultrasonic motors are considered as substitutes for classical electromagnetic motors as driving elements in absolute gravimeters. Still, their application is prevented by relatively low power output. To overcome this limitation and provide better stability, a V-type linear ultrasonic motor with a new clamping method is proposed for a gravimeter. In this paper, a mechanical model of stators with flexible clamping components is suggested, according to a design criterion for clamps of linear ultrasonic motors. After that, an effect of tangential and normal rigidity of the clamping components on mechanical output is studied. It is followed by discussion of a new clamping method with sufficient tangential rigidity and a capability to facilitate pre-load. Additionally, a prototype of the motor with the proposed clamping method was fabricated and the performance tests in vertical direction were implemented. Experimental results show that the suggested motor has structural stability and high dynamic performance, such as no-load speed of 1.4m/s and maximal thrust of 43N, meeting the requirements for absolute gravimeters.

  14. Why to compare absolute numbers of mitochondria.

    PubMed

    Schmitt, Sabine; Schulz, Sabine; Schropp, Eva-Maria; Eberhagen, Carola; Simmons, Alisha; Beisker, Wolfgang; Aichler, Michaela; Zischka, Hans

    2014-11-01

    Prompted by pronounced structural differences between rat liver and rat hepatocellular carcinoma mitochondria, we suspected these mitochondrial populations to differ massively in their molecular composition. Aiming to reveal these mitochondrial differences, we came across the issue on how to normalize such comparisons and decided to focus on the absolute number of mitochondria. To this end, fluorescently stained mitochondria were quantified by flow cytometry. For rat liver mitochondria, this approach resulted in mitochondrial protein contents comparable to earlier reports using alternative methods. We determined similar protein contents for rat liver, heart and kidney mitochondria. In contrast, however, lower protein contents were determined for rat brain mitochondria and for mitochondria from the rat hepatocellular carcinoma cell line McA 7777. This result challenges mitochondrial comparisons that rely on equal protein amounts as a typical normalization method. Exemplarily, we therefore compared the activity and susceptibility toward inhibition of complex II of rat liver and hepatocellular carcinoma mitochondria and obtained significant discrepancies by either normalizing to protein amount or to absolute mitochondrial number. Importantly, the latter normalization, in contrast to the former, demonstrated a lower complex II activity and higher susceptibility toward inhibition in hepatocellular carcinoma mitochondria compared to liver mitochondria. These findings demonstrate that solely normalizing to protein amount may obscure essential molecular differences between mitochondrial populations.

  15. [Estimation of absolute risk for fracture].

    PubMed

    Fujiwara, Saeko

    2009-03-01

    Osteoporosis treatment aims to prevent fractures and maintain the QOL of the elderly. However, persons at high risk of future fracture cannot be effectively identified on the basis of bone density (BMD) alone, although BMD is used as an diagnostic criterion. Therefore, the WHO recommended that absolute risk for fracture (10-year probability of fracture) for each individual be evaluated and used as an index for intervention threshold. The 10-year probability of fracture is calculated based on age, sex, BMD at the femoral neck (body mass index if BMD is not available), history of previous fractures, parental hip fracture history, smoking, steroid use, rheumatoid arthritis, secondary osteoporosis and alcohol consumption. The WHO has just announced the development of a calculation tool (FRAX: WHO Fracture Risk Assessment Tool) in February this year. Fractures could be prevented more effectively if, based on each country's medical circumstances, an absolute risk value for fracture to determine when to start medical treatment is established and persons at high risk of fracture are identified and treated accordingly.

  16. Absolute stereochemistry of altersolanol A and alterporriols.

    PubMed

    Kanamaru, Saki; Honma, Miho; Murakami, Takanori; Tsushima, Taro; Kudo, Shinji; Tanaka, Kazuaki; Nihei, Ken-Ichi; Nehira, Tatsuo; Hashimoto, Masaru

    2012-02-01

    The absolute stereochemistry of altersolanol A (1) was established by observing a positive exciton couplet in the circular dichroism (CD) spectrum of the C3,C4-O-bis(2-naphthoyl) derivative 10 and by chemical correlations with known compound 8. Before the discussion, the relative stereochemistry of 1 was confirmed by X-ray crystallographic analysis. The shielding effect at C7'-OMe group by C1-O-benzoylation established the relative stereochemical relationship between the C8-C8' axial bonding and the C1-C4/C1'-C4' polyol moieties of alterporriols E (3), an atropisomer of the C8-C8' dimer of 1. As 3 could be obtained by dimerization of 1 in vitro, the absolute configuration of its central chirality elements (C1-C4) must be identical to those of 1. Spectral comparison between the experimental and theoretical CD spectra supported the above conclusion. Axial stereochemistry of novel C4-O-deoxy dimeric derivatives, alterporriols F (4) and G (5), were also revealed by comparison of their CD spectra to those of 2 and 3.

  17. Absolute Electron Extraction Efficiency of Liquid Xenon

    NASA Astrophysics Data System (ADS)

    Kamdin, Katayun; Mizrachi, Eli; Morad, James; Sorensen, Peter

    2016-03-01

    Dual phase liquid/gas xenon time projection chambers (TPCs) currently set the world's most sensitive limits on weakly interacting massive particles (WIMPs), a favored dark matter candidate. These detectors rely on extracting electrons from liquid xenon into gaseous xenon, where they produce proportional scintillation. The proportional scintillation from the extracted electrons serves to internally amplify the WIMP signal; even a single extracted electron is detectable. Credible dark matter searches can proceed with electron extraction efficiency (EEE) lower than 100%. However, electrons systematically left at the liquid/gas boundary are a concern. Possible effects include spontaneous single or multi-electron proportional scintillation signals in the gas, or charging of the liquid/gas interface or detector materials. Understanding EEE is consequently a serious concern for this class of rare event search detectors. Previous EEE measurements have mostly been relative, not absolute, assuming efficiency plateaus at 100%. I will present an absolute EEE measurement with a small liquid/gas xenon TPC test bed located at Lawrence Berkeley National Laboratory.

  18. Standardization of the cumulative absolute velocity

    SciTech Connect

    O'Hara, T.F.; Jacobson, J.P. )

    1991-12-01

    EPRI NP-5930, A Criterion for Determining Exceedance of the Operating Basis Earthquake,'' was published in July 1988. As defined in that report, the Operating Basis Earthquake (OBE) is exceeded when both a response spectrum parameter and a second damage parameter, referred to as the Cumulative Absolute Velocity (CAV), are exceeded. In the review process of the above report, it was noted that the calculation of CAV could be confounded by time history records of long duration containing low (nondamaging) acceleration. Therefore, it is necessary to standardize the method of calculating CAV to account for record length. This standardized methodology allows consistent comparisons between future CAV calculations and the adjusted CAV threshold value based upon applying the standardized methodology to the data set presented in EPRI NP-5930. The recommended method to standardize the CAV calculation is to window its calculation on a second-by-second basis for a given time history. If the absolute acceleration exceeds 0.025g at any time during each one second interval, the earthquake records used in EPRI NP-5930 have been reanalyzed and the adjusted threshold of damage for CAV was found to be 0.16g-set.

  19. Swarm's Absolute Scalar Magnetometers Burst Mode Results

    NASA Astrophysics Data System (ADS)

    Coisson, P.; Vigneron, P.; Hulot, G.; Crespo Grau, R.; Brocco, L.; Lalanne, X.; Sirol, O.; Leger, J. M.; Jager, T.; Bertrand, F.; Boness, A.; Fratter, I.

    2014-12-01

    Each of the three Swarm satellites embarks an Absolute Scalar Magnetometer (ASM) to provide absolute scalar measurements of the magnetic field with high accuracy and stability. Nominal data acquisition of these ASMs is 1 Hz. But they can also run in a so-called "burst mode" and provide data at 250 Hz. During the commissioning phase of the mission, seven burst mode acquisition campaigns have been run simultaneously for all satellites, obtaining a total of ten days of burs-mode data. These campaigns allowed the identification of issues related to the operations of the piezo-electric motor and the heaters connected to the ASM, that do not impact the nominal 1 Hz scalar data. We analyze the burst mode data to identify high frequency geomagnetic signals, focusing the analysis in two regions: the low latitudes, where we seek signatures of ionospheric irregularities, and the high latitudes, to identify high frequency signals related to polar region currents. Since these campaigns have been conducted during the initial months of the mission, the three satellites where still close to each other, allowing to analyze the spatial coherency of the signals. Wavelet analysis have revealed 31 Hz signals appearing in the night-side in the equatorial region.

  20. Coefficient Alpha: A Reliability Coefficient for the 21st Century?

    ERIC Educational Resources Information Center

    Yang, Yanyun; Green, Samuel B.

    2011-01-01

    Coefficient alpha is almost universally applied to assess reliability of scales in psychology. We argue that researchers should consider alternatives to coefficient alpha. Our preference is for structural equation modeling (SEM) estimates of reliability because they are informative and allow for an empirical evaluation of the assumptions…

  1. Extracting infrared absolute reflectance from relative reflectance measurements.

    PubMed

    Berets, Susan L; Milosevic, Milan

    2012-06-01

    Absolute reflectance measurements are valuable to the optics industry for development of new materials and optical coatings. Yet, absolute reflectance measurements are notoriously difficult to make. In this paper, we investigate the feasibility of extracting the absolute reflectance from a relative reflectance measurement using a reference material with known refractive index.

  2. A Conceptual Approach to Absolute Value Equations and Inequalities

    ERIC Educational Resources Information Center

    Ellis, Mark W.; Bryson, Janet L.

    2011-01-01

    The absolute value learning objective in high school mathematics requires students to solve far more complex absolute value equations and inequalities. When absolute value problems become more complex, students often do not have sufficient conceptual understanding to make any sense of what is happening mathematically. The authors suggest that the…

  3. Using absolute gravimeter data to determine vertical gravity gradients

    USGS Publications Warehouse

    Robertson, D.S.

    2001-01-01

    The position versus time data from a free-fall absolute gravimeter can be used to estimate the vertical gravity gradient in addition to the gravity value itself. Hipkin has reported success in estimating the vertical gradient value using a data set of unusually good quality. This paper explores techniques that may be applicable to a broader class of data that may be contaminated with "system response" errors of larger magnitude than were evident in the data used by Hipkin. This system response function is usually modelled as a sum of exponentially decaying sinusoidal components. The technique employed here involves combining the x0, v0 and g parameters from all the drops made during a site occupation into a single least-squares solution, and including the value of the vertical gradient and the coefficients of system response function in the same solution. The resulting non-linear equations must be solved iteratively and convergence presents some difficulties. Sparse matrix techniques are used to make the least-squares problem computationally tractable.

  4. Use of Absolute and Comparative Performance Feedback in Absolute and Comparative Judgments and Decisions

    ERIC Educational Resources Information Center

    Moore, Don A.; Klein, William M. P.

    2008-01-01

    Which matters more--beliefs about absolute ability or ability relative to others? This study set out to compare the effects of such beliefs on satisfaction with performance, self-evaluations, and bets on future performance. In Experiment 1, undergraduate participants were told they had answered 20% correct, 80% correct, or were not given their…

  5. THE ABSOLUTE MAGNITUDES OF RED HORIZONTAL BRANCH STARS IN THE ugriz SYSTEM

    SciTech Connect

    Chen, Y. Q.; Zhao, G.; Zhao, J. K.

    2009-09-10

    Based on photometric data of the central parts of eight globular clusters and one open cluster presented by An and his collaborators, we select red horizontal branch (RHB) stars in the (g - r){sub 0}-g {sub 0} diagram and make a statistical study of the distributions of their colors and absolute magnitudes in the SDSS ugriz system. Meanwhile, absolute magnitudes in the Johnson VRI system are calculated through the translation formulae between gri and VRI in the literature. The calibrations of absolute magnitude as functions of metallicity and age are established by linear regressions of the data. It is found that metallicity coefficients in these calibrations decrease, while age coefficients increase, from the blue u filter to the red z filter. The calibration of M{sub i} = 0.06[Fe/H] + 0.040t + 0.03 has the smallest scatter of 0.04 mag, and thus i is the best filter in the ugriz system when RHB stars are used for distance indicators. The comparison of the M{sub I} calibration from our data with that from red clump stars indicates that the previous suggestion that the I filter is better than the V filter in distance determination may not be true because of its significant dependence on age.

  6. Absolute nonlocality via distributed computing without communication

    NASA Astrophysics Data System (ADS)

    Czekaj, Ł.; Pawłowski, M.; Vértesi, T.; Grudka, A.; Horodecki, M.; Horodecki, R.

    2015-09-01

    Understanding the role that quantum entanglement plays as a resource in various information processing tasks is one of the crucial goals of quantum information theory. Here we propose an alternative perspective for studying quantum entanglement: distributed computation of functions without communication between nodes. To formalize this approach, we propose identity games. Surprisingly, despite no signaling, we obtain that nonlocal quantum strategies beat classical ones in terms of winning probability for identity games originating from certain bipartite and multipartite functions. Moreover we show that, for a majority of functions, access to general nonsignaling resources boosts success probability two times in comparison to classical ones for a number of large enough outputs. Because there are no constraints on the inputs and no processing of the outputs in the identity games, they detect very strong types of correlations: absolute nonlocality.

  7. In vivo absorption spectroscopy for absolute measurement.

    PubMed

    Furukawa, Hiromitsu; Fukuda, Takashi

    2012-10-01

    In in vivo spectroscopy, there are differences between individual subjects in parameters such as tissue scattering and sample concentration. We propose a method that can provide the absolute value of a particular substance concentration, independent of these individual differences. Thus, it is not necessary to use the typical statistical calibration curve, which assumes an average level of scattering and an averaged concentration over individual subjects. This method is expected to greatly reduce the difficulties encountered during in vivo measurements. As an example, for in vivo absorption spectroscopy, the method was applied to the reflectance measurement in retinal vessels to monitor their oxygen saturation levels. This method was then validated by applying it to the tissue phantom under a variety of absorbance values and scattering efficiencies.

  8. Determining Absolute Zero Using a Tuning Fork

    NASA Astrophysics Data System (ADS)

    Goldader, Jeffrey D.

    2008-04-01

    The Celsius and Kelvin temperature scales, we tell our students, are related. We explain that a change in temperature of 1°C corresponds to a change of 1 Kelvin and that atoms and molecules have zero kinetic energy at zero Kelvin, -273°C. In this paper, we will show how students can derive the relationship between the Celsius and Kelvin temperature scales using a simple, well-known physics experiment. By making multiple measurements of the speed of sound at different temperatures, using the classic physics experiment of determining the speed of sound with a tuning fork and variable-length tube, they can determine the temperature at which the speed of sound is zero—absolute zero.

  9. MAGSAT: Vector magnetometer absolute sensor alignment determination

    NASA Technical Reports Server (NTRS)

    Acuna, M. H.

    1981-01-01

    A procedure is described for accurately determining the absolute alignment of the magnetic axes of a triaxial magnetometer sensor with respect to an external, fixed, reference coordinate system. The method does not require that the magnetic field vector orientation, as generated by a triaxial calibration coil system, be known to better than a few degrees from its true position, and minimizes the number of positions through which a sensor assembly must be rotated to obtain a solution. Computer simulations show that accuracies of better than 0.4 seconds of arc can be achieved under typical test conditions associated with existing magnetic test facilities. The basic approach is similar in nature to that presented by McPherron and Snare (1978) except that only three sensor positions are required and the system of equations to be solved is considerably simplified. Applications of the method to the case of the MAGSAT Vector Magnetometer are presented and the problems encountered discussed.

  10. An estimate of global absolute dynamic topography

    NASA Technical Reports Server (NTRS)

    Tai, C.-K.; Wunsch, C.

    1984-01-01

    The absolute dynamic topography of the world ocean is estimated from the largest scales to a short-wavelength cutoff of about 6700 km for the period July through September, 1978. The data base consisted of the time-averaged sea-surface topography determined by Seasat and geoid estimates made at the Goddard Space Flight Center. The issues are those of accuracy and resolution. Use of the altimetric surface as a geoid estimate beyond the short-wavelength cutoff reduces the spectral leakage in the estimated dynamic topography from erroneous small-scale geoid estimates without contaminating the low wavenumbers. Comparison of the result with a similarly filtered version of Levitus' (1982) historical average dynamic topography shows good qualitative agreement. There is quantitative disagreement, but it is within the estimated errors of both methods of calculation.

  11. Micron Accurate Absolute Ranging System: Range Extension

    NASA Technical Reports Server (NTRS)

    Smalley, Larry L.; Smith, Kely L.

    1999-01-01

    The purpose of this research is to investigate Fresnel diffraction as a means of obtaining absolute distance measurements with micron or greater accuracy. It is believed that such a system would prove useful to the Next Generation Space Telescope (NGST) as a non-intrusive, non-contact measuring system for use with secondary concentrator station-keeping systems. The present research attempts to validate past experiments and develop ways to apply the phenomena of Fresnel diffraction to micron accurate measurement. This report discusses past research on the phenomena, and the basis of the use Fresnel diffraction distance metrology. The apparatus used in the recent investigations, experimental procedures used, preliminary results are discussed in detail. Continued research and equipment requirements on the extension of the effective range of the Fresnel diffraction systems is also described.

  12. Absolute measurements of fast neutrons using yttrium.

    PubMed

    Roshan, M V; Springham, S V; Rawat, R S; Lee, P; Krishnan, M

    2010-08-01

    Yttrium is presented as an absolute neutron detector for pulsed neutron sources. It has high sensitivity for detecting fast neutrons. Yttrium has the property of generating a monoenergetic secondary radiation in the form of a 909 keV gamma-ray caused by inelastic neutron interaction. It was calibrated numerically using MCNPX and does not need periodic recalibration. The total yttrium efficiency for detecting 2.45 MeV neutrons was determined to be f(n) approximately 4.1x10(-4) with an uncertainty of about 0.27%. The yttrium detector was employed in the NX2 plasma focus experiments and showed the neutron yield of the order of 10(8) neutrons per discharge.

  13. Measured and modelled absolute gravity in Greenland

    NASA Astrophysics Data System (ADS)

    Nielsen, E.; Forsberg, R.; Strykowski, G.

    2012-12-01

    Present day changes in the ice volume in glaciated areas like Greenland will change the load on the Earth and to this change the lithosphere will respond elastically. The Earth also responds to changes in the ice volume over a millennial time scale. This response is due to the viscous properties of the mantle and is known as Glaical Isostatic Adjustment (GIA). Both signals are present in GPS and absolute gravity (AG) measurements and they will give an uncertainty in mass balance estimates calculated from these data types. It is possible to separate the two signals if both gravity and Global Positioning System (GPS) time series are available. DTU Space acquired an A10 absolute gravimeter in 2008. One purpose of this instrument is to establish AG time series in Greenland and the first measurements were conducted in 2009. Since then are 18 different Greenland GPS Network (GNET) stations visited and six of these are visited more then once. The gravity signal consists of three signals; the elastic signal, the viscous signal and the direct attraction from the ice masses. All of these signals can be modelled using various techniques. The viscous signal is modelled by solving the Sea Level Equation with an appropriate ice history and Earth model. The free code SELEN is used for this. The elastic signal is modelled as a convolution of the elastic Greens function for gravity and a model of present day ice mass changes. The direct attraction is the same as the Newtonian attraction and is calculated as this. Here we will present the preliminary results of the AG measurements in Greenland. We will also present modelled estimates of the direct attraction, the elastic and the viscous signals.

  14. Absolute bioavailability of quinine formulations in Nigeria.

    PubMed

    Babalola, C P; Bolaji, O O; Ogunbona, F A; Ezeomah, E

    2004-09-01

    This study compared the absolute bioavailability of quinine sulphate as capsule and as tablet against the intravenous (i.v.) infusion of the drug in twelve male volunteers. Six of the volunteers received intravenous infusion over 4 h as well as the capsule formulation of the drug in a cross-over manner, while the other six received the tablet formulation. Blood samples were taken at predetermined time intervals and plasma analysed for quinine (QN) using reversed-phase HPLC method. QN was rapidly absorbed after the two oral formulations with average t(max) of 2.67 h for both capsule and tablet. The mean elimination half-life of QN from the i.v. and oral dosage forms varied between 10 and 13.5 hr and were not statistically different (P > 0.05). On the contrary, the maximum plasma concentration (C(max)) and area under the curve (AUC) from capsule were comparable to those from i.v. (P > 0.05), while these values were markedly higher than values from tablet formulation (P < 0.05). The therapeutic QN plasma levels were not achieved with the tablet formulation. The absolute bioavailability (F) were 73% (C.l., 53.3 - 92.4%) and 39 % (C.I., 21.7 - 56.6%) for the capsule and tablet respectively and the difference was significant (P < 0.05). The subtherapeutic levels obtained from the tablet form used in this study may cause treatment failure during malaria and caution should be taken when predictions are made from results obtained from different formulations of QN.

  15. ABSOLUTE PROPERTIES OF THE ECLIPSING BINARY STAR V335 SERPENTIS

    SciTech Connect

    Lacy, Claud H. Sandberg; Fekel, Francis C.; Claret, Antonio E-mail: fekel@evans.tsuniv.edu

    2012-08-15

    V335 Ser is now known to be an eccentric double-lined A1+A3 binary star with fairly deep (0.5 mag) partial eclipses. Previous studies of the system are improved with 7456 differential photometric observations from the URSA WebScope and 5666 from the NFO WebScope, and 67 high-resolution spectroscopic observations from the Tennessee State University 2 m automatic spectroscopic telescope. From dates of minima, the apsidal period is about 880 years. Accurate (better than 2%) masses and radii are determined from analysis of the two new light curves and the radial velocity curve. Theoretical models match the absolute properties of the stars at an age of about 380 Myr, though the age agreement for the two components is poor. Tidal theory correctly confirms that the orbit should still be eccentric, but we find that standard tidal theory is unable to match the observed asynchronous rotation rates of the components' surface layers.

  16. Market entry decisions: effects of absolute and relative confidence.

    PubMed

    Bolger, Fergus; Pulford, Briony D; Colman, Andrew M

    2008-01-01

    In a market entry game, the number of entrants usually approaches game-theoretic equilibrium quickly, but in real-world markets business start-ups typically exceed market capacity, resulting in chronically high failure rates and suboptimal industry profits. Excessive entry has been attributed to overconfidence arising when expected payoffs depend partly on skill. In an experimental test of this hypothesis, 96 participants played 24 rounds of a market entry game, with expected payoffs dependent partly on skill on half the rounds, after their confidence was manipulated and measured. The results provide direct support for the hypothesis that high levels of confidence are largely responsible for excessive entry, and they suggest that absolute confidence, independent of interpersonal comparison, rather than confidence about one's abilities relative to others, drives excessive entry decisions when skill is involved.

  17. Cytoplasmic hydrogen ion diffusion coefficient.

    PubMed Central

    al-Baldawi, N F; Abercrombie, R F

    1992-01-01

    The apparent cytoplasmic proton diffusion coefficient was measured using pH electrodes and samples of cytoplasm extracted from the giant neuron of a marine invertebrate. By suddenly changing the pH at one surface of the sample and recording the relaxation of pH within the sample, an apparent diffusion coefficient of 1.4 +/- 0.5 x 10(-6) cm2/s (N = 7) was measured in the acidic or neutral range of pH (6.0-7.2). This value is approximately 5x lower than the diffusion coefficient of the mobile pH buffers (approximately 8 x 10(-6) cm2/s) and approximately 68x lower than the diffusion coefficient of the hydronium ion (93 x 10(-6) cm2/s). A mobile pH buffer (approximately 15% of the buffering power) and an immobile buffer (approximately 85% of the buffering power) could quantitatively account for the results at acidic or neutral pH. At alkaline pH (8.2-8.6), the apparent proton diffusion coefficient increased to 4.1 +/- 0.8 x 10(-6) cm2/s (N = 7). This larger diffusion coefficient at alkaline pH could be explained quantitatively by the enhanced buffering power of the mobile amino acids. Under the conditions of these experiments, it is unlikely that hydroxide movement influences the apparent hydrogen ion diffusion coefficient. PMID:1617134

  18. Association between absolute blood eosinophil count and CKD stages among cardiac patients.

    PubMed

    Ishii, Rui; Fujita, Shu-Ichi; Kizawa, Shun; Sakane, Kazushi; Morita, Hideaki; Ozeki, Michishige; Sohmiya, Koichi; Hoshiga, Masaaki; Ishizaka, Nobukazu

    2016-02-01

    Elevated eosinophil count was shown to be associated with the development of cholesterol embolization syndrome, a potentially life-threatening condition, after catheter-based procedures. We investigated the association between stages of chronic kidney disease (CKD) and the absolute eosinophil count (AEC) among cardiac patients. CKD stages were determined solely on the estimated glomerular filtration rate or requirement for hemodialysis. Eosinophilia is defined as an eosinophil count exceeding 500/μL. A total of 1022 patients were enrolled in the current study, and eosinophil counts (/μL) in the first through fourth eosinophil count quartiles were <88, 88 to 154, 155 to <238, and 238 ≤, respectively, and 29 patients (2.8 %) had eosinophilia. Correlation coefficient between the AEC and age was -0.188 (P = 0.001) in women and -0.042 (n.s.) in men (by Spearman's correlation test). Patients with higher CKD stages had a higher prevalence of the highest AEC quartile or eosinophilia. Logistic regression analysis using severe renal dysfunction (i.e., CKD stage 4 or 5) as the dependent variable, the highest AEC quartile had a significant positive association with an odds ratio of 1.99 (95 % confidence interval, 1.20-3.31, P < 0.01) after adjustment for sex, age, systolic blood pressure, and total white blood cell count. Similarly, after adjustment for the same variables, eosinophilia was associated with severe renal dysfunction with an odds ratio of 2.60 (95 % confidence interval, 1.08-6.26, P < 0.05). Eosinophil count was positively associated with higher CKD stages among cardiology patients, some fraction of which might be related to subclinical cholesterol embolization.

  19. A novel absolute measurement for the low-frequency figure correction of aspheric surfaces

    NASA Astrophysics Data System (ADS)

    Lin, Wei-Cheng; Chang, Shenq-Tsong; Ho, Cheng-Fang; Kuo, Ching-Hsiang; Chung, Chien-Kai; Hsu, Wei-Yao; Tseng, Shih-Feng; Sung, Cheng-Kuo

    2015-07-01

    This study proposes an absolute measurement method with a computer-generated hologram (CGHs) to assist the identification of manufacturing form error, and gravity and mounting resulted distortions for a 300 mm aspherical mirror. This method adopts the frequency of peaks and valleys of each Zernike coefficient grabbed by the measurement with various orientations of the mirror in horizontal optical-axis configuration. In addition, the rotational-symmetric aberration (spherical aberration) is calibrated with random ball test method. According to the measured absolute surface figure, a high accuracy aspherical surface with peak to valley (P-V) value of 1/8 wave @ 632.8 nm was fabricated after surface figure correction with the reconstructed error map.

  20. Sedimentation Coefficient, Frictional Coefficient, and Molecular Weight: A Preparative Ultracentrifuge Experiment for the Advanced Undergraduate Laboratory.

    ERIC Educational Resources Information Center

    Halsall, H. B.; Wermeling, J. R.

    1982-01-01

    Describes an experiment using a high-speed preparative centrifuge and calculator to demonstrate effects of the frictional coefficient of a macromolecule on its rate of transport in a force field and to estimate molecular weight of the macromolecule using an empirical relationship. Background information, procedures, and discussion of results are…

  1. Reliability and validity of quantifying absolute muscle hardness using ultrasound elastography.

    PubMed

    Chino, Kentaro; Akagi, Ryota; Dohi, Michiko; Fukashiro, Senshi; Takahashi, Hideyuki

    2012-01-01

    Muscle hardness is a mechanical property that represents transverse muscle stiffness. A quantitative method that uses ultrasound elastography for quantifying absolute human muscle hardness has been previously devised; however, its reliability and validity have not been completely verified. This study aimed to verify the reliability and validity of this quantitative method. The Young's moduli of seven tissue-mimicking materials (in vitro; Young's modulus range, 20-80 kPa; increments of 10 kPa) and the human medial gastrocnemius muscle (in vivo) were quantified using ultrasound elastography. On the basis of the strain/Young's modulus ratio of two reference materials, one hard and one soft (Young's moduli of 7 and 30 kPa, respectively), the Young's moduli of the tissue-mimicking materials and medial gastrocnemius muscle were calculated. The intra- and inter-investigator reliability of the method was confirmed on the basis of acceptably low coefficient of variations (≤6.9%) and substantially high intraclass correlation coefficients (≥0.77) obtained from all measurements. The correlation coefficient between the Young's moduli of the tissue-mimicking materials obtained using a mechanical method and ultrasound elastography was 0.996, which was equivalent to values previously obtained using magnetic resonance elastography. The Young's moduli of the medial gastrocnemius muscle obtained using ultrasound elastography were within the range of values previously obtained using magnetic resonance elastography. The reliability and validity of the quantitative method for measuring absolute muscle hardness using ultrasound elastography were thus verified.

  2. Vicarious absolute radiometric calibration of GF-2 PMS2 sensor using permanent artificial targets in China

    NASA Astrophysics Data System (ADS)

    Liu, Yaokai; Li, Chuanrong; Ma, Lingling; Wang, Ning; Qian, Yonggang; Tang, Lingli

    2016-10-01

    GF-2, launched on August 19 2014, is one of the high-resolution land resource observing satellite of the China GF series satellites plan. The radiometric performance evaluation of the onboard optical pan and multispectral (PMS2) sensor of GF-2 satellite is very important for the further application of the data. And, the vicarious absolute radiometric calibration approach is one of the most useful way to monitor the radiometric performance of the onboard optical sensors. In this study, the traditional reflectance-based method is used to vicarious radiometrically calibrate the onboard PMS2 sensor of GF-2 satellite using three black, gray and white reflected permanent artificial targets located in the AOE Baotou site in China. Vicarious field calibration campaign were carried out in the AOE-Baotou calibration site on 22 April 2016. And, the absolute radiometric calibration coefficients were determined with in situ measured atmospheric parameters and surface reflectance of the permanent artificial calibration targets. The predicted TOA radiance of a selected desert area with our determined calibrated coefficients were compared with the official distributed calibration coefficients. Comparison results show a good consistent and the mean relative difference of the multispectral channels is less than 5%. Uncertainty analysis was also carried out and a total uncertainty with 3.87% is determined of the TOA radiance.

  3. Functional constraints on phenomenological coefficients

    NASA Astrophysics Data System (ADS)

    Klika, Václav; Pavelka, Michal; Benziger, Jay B.

    2017-02-01

    Thermodynamic fluxes (diffusion fluxes, heat flux, etc.) are often proportional to thermodynamic forces (gradients of chemical potentials, temperature, etc.) via the matrix of phenomenological coefficients. Onsager's relations imply that the matrix is symmetric, which reduces the number of unknown coefficients is reduced. In this article we demonstrate that for a class of nonequilibrium thermodynamic models in addition to Onsager's relations the phenomenological coefficients must share the same functional dependence on the local thermodynamic state variables. Thermodynamic models and experimental data should be validated through consistency with the functional constraint. We present examples of coupled heat and mass transport (thermodiffusion) and coupled charge and mass transport (electro-osmotic drag). Additionally, these newly identified constraints further reduce the number of experiments needed to describe the phenomenological coefficient.

  4. Communication: Equilibrium rate coefficients from atomistic simulations: The O({sup 3}P) + NO({sup 2}Π) → O{sub 2}(X{sup 3}Σ{sub g}{sup −}) + N({sup 4}S) reaction at temperatures relevant to the hypersonic flight regime

    SciTech Connect

    Castro-Palacio, Juan Carlos; Bemish, Raymond J.; Meuwly, Markus

    2015-03-07

    The O({sup 3}P) + NO({sup 2}Π) → O{sub 2}(X{sup 3}Σ{sub g}{sup −}) + N({sup 4}S) reaction is among the N- and O- involving reactions that dominate the energetics of the reactive air flow around spacecraft during hypersonic atmospheric re-entry. In this regime, the temperature in the bow shock typically ranges from 1000 to 20 000 K. The forward and reverse rate coefficients for this reaction derived directly from trajectory calculations over this range of temperature are reported in this letter. Results compare well with the established equilibrium constants for the same reaction from thermodynamic quantities derived from spectroscopy in the gas phase which paves the way for large-scale in silico investigations of equilibrium rates under extreme conditions.

  5. Wrong Signs in Regression Coefficients

    NASA Technical Reports Server (NTRS)

    McGee, Holly

    1999-01-01

    When using parametric cost estimation, it is important to note the possibility of the regression coefficients having the wrong sign. A wrong sign is defined as a sign on the regression coefficient opposite to the researcher's intuition and experience. Some possible causes for the wrong sign discussed in this paper are a small range of x's, leverage points, missing variables, multicollinearity, and computational error. Additionally, techniques for determining the cause of the wrong sign are given.

  6. A new method on recycling coefficient measurement using impurity pellet injection in a large helical device

    SciTech Connect

    Nozato, Hideaki; Morita, Shigeru; Goto, Motoshi

    2005-07-15

    Recycling coefficients of carbon, aluminum, and titanium were evaluated using a new technique combining impurity pellet injection with high-spatial resolution bremsstrahlung measurement in hydrogen and helium plasmas on the large helical device. The recycling coefficient of impurities was investigated by measuring absolute intensities with the visible bremsstrahlung array. The time evolution of the bremsstrahlung signals was modeled by an impurity transport code adjusting the diffusion coefficient, convective velocity, and recycling coefficient. As a result, a finite value of the recycling coefficient was required in the case of carbon, whereas aluminum and titanium were explained as nonrecycled particles. It was also clarified that the recycling coefficient of carbon had a larger value in hydrogen plasmas (R=0.5-0.65) than in helium plasmas (R=0-0.2), suggesting the formation of hydrogen molecules.

  7. Personal dose-equivalent conversion coefficients for 1252 radionuclides.

    PubMed

    Otto, Thomas

    2016-01-01

    Dose conversion coefficients for radionuclides are useful for routine calculations in radiation protection in industry, medicine and research. They give a simple and often sufficient estimate of dose rates during production, handling and storage of radionuclide sources, based solely on the source's activity. The latest compilation of such conversion coefficients dates from 20 y ago, based on nuclear decay data published 30 y ago. The present publication provides radionuclide-specific conversion coefficients to personal dose based on the most recent evaluations of nuclear decay data for 1252 radionuclides and fluence-to-dose-equivalent conversion coefficients for monoenergetic radiations. It contains previously unknown conversion coefficients for >400 nuclides and corrects those conversion coefficients that were based on erroneous decay schemes. For the first time, estimates for the protection quantity Hp(3) are included.

  8. Absolute calibration of forces in optical tweezers

    NASA Astrophysics Data System (ADS)

    Dutra, R. S.; Viana, N. B.; Maia Neto, P. A.; Nussenzveig, H. M.

    2014-07-01

    Optical tweezers are highly versatile laser traps for neutral microparticles, with fundamental applications in physics and in single molecule cell biology. Force measurements are performed by converting the stiffness response to displacement of trapped transparent microspheres, employed as force transducers. Usually, calibration is indirect, by comparison with fluid drag forces. This can lead to discrepancies by sizable factors. Progress achieved in a program aiming at absolute calibration, conducted over the past 15 years, is briefly reviewed. Here we overcome its last major obstacle, a theoretical overestimation of the peak stiffness, within the most employed range for applications, and we perform experimental validation. The discrepancy is traced to the effect of primary aberrations of the optical system, which are now included in the theory. All required experimental parameters are readily accessible. Astigmatism, the dominant effect, is measured by analyzing reflected images of the focused laser spot, adapting frequently employed video microscopy techniques. Combined with interface spherical aberration, it reveals a previously unknown window of instability for trapping. Comparison with experimental data leads to an overall agreement within error bars, with no fitting, for a broad range of microsphere radii, from the Rayleigh regime to the ray optics one, for different polarizations and trapping heights, including all commonly employed parameter domains. Besides signaling full first-principles theoretical understanding of optical tweezers operation, the results may lead to improved instrument design and control over experiments, as well as to an extended domain of applicability, allowing reliable force measurements, in principle, from femtonewtons to nanonewtons.

  9. Elevation correction factor for absolute pressure measurements

    NASA Technical Reports Server (NTRS)

    Panek, Joseph W.; Sorrells, Mark R.

    1996-01-01

    With the arrival of highly accurate multi-port pressure measurement systems, conditions that previously did not affect overall system accuracy must now be scrutinized closely. Errors caused by elevation differences between pressure sensing elements and model pressure taps can be quantified and corrected. With multi-port pressure measurement systems, the sensing elements are connected to pressure taps that may be many feet away. The measurement system may be at a different elevation than the pressure taps due to laboratory space or test article constraints. This difference produces a pressure gradient that is inversely proportional to height within the interface tube. The pressure at the bottom of the tube will be higher than the pressure at the top due to the weight of the tube's column of air. Tubes with higher pressures will exhibit larger absolute errors due to the higher air density. The above effect is well documented but has generally been taken into account with large elevations only. With error analysis techniques, the loss in accuracy from elevation can be easily quantified. Correction factors can be applied to maintain the high accuracies of new pressure measurement systems.

  10. Gyrokinetic Statistical Absolute Equilibrium and Turbulence

    SciTech Connect

    Jian-Zhou Zhu and Gregory W. Hammett

    2011-01-10

    A paradigm based on the absolute equilibrium of Galerkin-truncated inviscid systems to aid in understanding turbulence [T.-D. Lee, "On some statistical properties of hydrodynamical and magnetohydrodynamical fields," Q. Appl. Math. 10, 69 (1952)] is taken to study gyrokinetic plasma turbulence: A finite set of Fourier modes of the collisionless gyrokinetic equations are kept and the statistical equilibria are calculated; possible implications for plasma turbulence in various situations are discussed. For the case of two spatial and one velocity dimension, in the calculation with discretization also of velocity v with N grid points (where N + 1 quantities are conserved, corresponding to an energy invariant and N entropy-related invariants), the negative temperature states, corresponding to the condensation of the generalized energy into the lowest modes, are found. This indicates a generic feature of inverse energy cascade. Comparisons are made with some classical results, such as those of Charney-Hasegawa-Mima in the cold-ion limit. There is a universal shape for statistical equilibrium of gyrokinetics in three spatial and two velocity dimensions with just one conserved quantity. Possible physical relevance to turbulence, such as ITG zonal flows, and to a critical balance hypothesis are also discussed.

  11. Climate Absolute Radiance and Refractivity Observatory (CLARREO)

    NASA Technical Reports Server (NTRS)

    Leckey, John P.

    2015-01-01

    The Climate Absolute Radiance and Refractivity Observatory (CLARREO) is a mission, led and developed by NASA, that will measure a variety of climate variables with an unprecedented accuracy to quantify and attribute climate change. CLARREO consists of three separate instruments: an infrared (IR) spectrometer, a reflected solar (RS) spectrometer, and a radio occultation (RO) instrument. The mission will contain orbiting radiometers with sufficient accuracy, including on orbit verification, to calibrate other space-based instrumentation, increasing their respective accuracy by as much as an order of magnitude. The IR spectrometer is a Fourier Transform spectrometer (FTS) working in the 5 to 50 microns wavelength region with a goal of 0.1 K (k = 3) accuracy. The FTS will achieve this accuracy using phase change cells to verify thermistor accuracy and heated halos to verify blackbody emissivity, both on orbit. The RS spectrometer will measure the reflectance of the atmosphere in the 0.32 to 2.3 microns wavelength region with an accuracy of 0.3% (k = 2). The status of the instrumentation packages and potential mission options will be presented.

  12. Swarm Absolute Scalar Magnetometers first in-orbit results

    NASA Astrophysics Data System (ADS)

    Fratter, Isabelle; Léger, Jean-Michel; Bertrand, François; Jager, Thomas; Hulot, Gauthier; Brocco, Laura; Vigneron, Pierre

    2016-04-01

    The ESA Swarm mission will provide the best ever survey of the Earth's magnetic field and its temporal evolution. This will be achieved by a constellation of three identical satellites, launched together on the 22nd of November 2013. In order to observe the magnetic field thoroughly, each satellite carries two magnetometers: a Vector Field Magnetometer (VFM) coupled with a star tracker camera, to measure the direction of the magnetic field in space, and an Absolute Scalar Magnetometer (ASM), to measure its intensity. The ASM is the French contribution to the Swarm mission. This new generation instrument was designed by CEA-Leti and developed in close partnership with CNES, with scientific support from IPGP. Its operating principle is based on the atomic spectroscopy of the helium 4 metastable state. It makes use of the Zeeman's effect to transduce the magnetic field into a frequency, the signal being amplified by optical pumping. The primary role of the ASM is to provide absolute measurements of the magnetic field's strength at 1 Hz, for the in-flight calibration of the VFM. As the Swarm magnetic reference, the ASM scalar performance is crucial for the mission's success. Thanks to its innovative design, the ASM offers the best precision, resolution and absolute accuracy ever attained in space, with similar performance all along the orbit. In addition, thanks to an original architecture, the ASM implements on an experimental basis a capacity for providing simultaneously vector measurements at 1 Hz. This new feature makes it the first instrument capable of delivering both scalar and vector measurements simultaneously at the same point. Swarm offers a unique opportunity to validate the ASM vector data in orbit by comparison with the VFM's. Furthermore, the ASM can provide scalar data at a much higher sampling rate, when run in "burst" mode at 250 Hz, with a 100 Hz measurement bandwidth. An analysis of the spectral content of the magnetic field above 1 Hz becomes thus

  13. Determination of Local Experimental Heat-Transfer Coefficients on Combustion Side of an Ammonia-Oxygen Rocket

    NASA Technical Reports Server (NTRS)

    Liebert, Curt H.; Ehlers, Robert C.

    1961-01-01

    Local experimental heat-transfer coefficients were measured in the chamber and throat of a 2400-pound-thrust ammonia-oxygen rocket engine with a nominal chamber pressure of 600 pounds per square inch absolute. Three injector configurations were used. The rocket engine was run over a range of oxidant-fuel ratio and chamber pressure. The injector that achieved the best performance also produced the highest rates of heat flux at design conditions. The heat-transfer data from the best-performing injector agreed well with the simplified equation developed by Bartz at the throat region. A large spread of data was observed for the chamber. This spread was attributed generally to the variations of combustion processes. The spread was least evident, however, with the best-performing injector.

  14. A detailed analysis of next generation sequencing reads of microRNA expression in Barrett’s Esophagus: absolute versus relative quantification

    PubMed Central

    2014-01-01

    Background Next generation sequencing (NGS) is a state of the art technology for microRNA (miRNA) analysis. The quantitative interpretation of the primary output of NGS i.e. the read counts for a miRNA sequence that can vary by several orders of magnitude (1 to 107) remains incompletely understood. Findings NGS (SOLiD 3 technology) was performed on biopsies from 6 Barrett’s esophagus (BE) and 5 Gastroesophageal Reflux Disease (GERD) patients. Read sequences were aligned to miRBase 18.0. Differential expression analysis was adjusted for false discovery rate of 5%. Quantitative real-time polymerase chain reaction (qRT-PCR) was performed for 36 miRNA in a validation cohort of 47 patients (27 BE and 20 GERD). Correlation coefficients, accuracy, precision and recall of NGS compared to qRT-PCR were calculated. Increase in NGS reads was associated with progressively lower Cq values, p < 0.05. Although absolute quantification between NGS reads and Cq values correlated modestly: -0.38, p = 0.01 for BE and -0.32, p = 0.05 for GERD, relative quantification (fold changes) of miRNA expression between BE &GERD by NGS correlated highly with qRT-PCR 0.86, p = 2.45E-11. Fold change correlations were unaffected when different thresholds of NGS read counts were compared (>1000 vs. <1000, >500 vs. <500 and >100 vs. <100). The accuracy, precision and recall of NGS to label a miRNA as differentially expressed were 0.71, 0.88 and 0.74 respectively. Conclusion Absolute NGS reads correlated modestly with qRT-PCR but fold changes correlated highly. NGS is robust at relative but not absolute quantification of miRNA levels and accurate for high-throughput identification of differentially expressed miRNA. PMID:24708854

  15. Absolute quantification of proteins by LCMSE: a virtue of parallel MS acquisition.

    PubMed

    Silva, Jeffrey C; Gorenstein, Marc V; Li, Guo-Zhong; Vissers, Johannes P C; Geromanos, Scott J

    2006-01-01

    Relative quantification methods have dominated the quantitative proteomics field. There is a need, however, to conduct absolute quantification studies to accurately model and understand the complex molecular biology that results in proteome variability among biological samples. A new method of absolute quantification of proteins is described. This method is based on the discovery of an unexpected relationship between MS signal response and protein concentration: the average MS signal response for the three most intense tryptic peptides per mole of protein is constant within a coefficient of variation of less than +/-10%. Given an internal standard, this relationship is used to calculate a universal signal response factor. The universal signal response factor (counts/mol) was shown to be the same for all proteins tested in this study. A controlled set of six exogenous proteins of varying concentrations was studied in the absence and presence of human serum. The absolute quantity of the standard proteins was determined with a relative error of less than +/-15%. The average MS signal responses of the three most intense peptides from each protein were plotted against their calculated protein concentrations, and this plot resulted in a linear relationship with an R(2) value of 0.9939. The analyses were applied to determine the absolute concentration of 11 common serum proteins, and these concentrations were then compared with known values available in the literature. Additionally within an unfractionated Escherichia coli lysate, a subset of identified proteins known to exist as functional complexes was studied. The calculated absolute quantities were used to accurately determine their stoichiometry.

  16. Thorough subcells diagnosis in a multi-junction solar cell via absolute electroluminescence-efficiency measurements.

    PubMed

    Chen, Shaoqiang; Zhu, Lin; Yoshita, Masahiro; Mochizuki, Toshimitsu; Kim, Changsu; Akiyama, Hidefumi; Imaizumi, Mitsuru; Kanemitsu, Yoshihiko

    2015-01-16

    World-wide studies on multi-junction (tandem) solar cells have led to record-breaking improvements in conversion efficiencies year after year. To obtain detailed and proper feedback for solar-cell design and fabrication, it is necessary to establish standard methods for diagnosing subcells in fabricated tandem devices. Here, we propose a potential standard method to quantify the detailed subcell properties of multi-junction solar cells based on absolute measurements of electroluminescence (EL) external quantum efficiency in addition to the conventional solar-cell external-quantum-efficiency measurements. We demonstrate that the absolute-EL-quantum-efficiency measurements provide I-V relations of individual subcells without the need for referencing measured I-V data, which is in stark contrast to previous works. Moreover, our measurements quantify the absolute rates of junction loss, non-radiative loss, radiative loss, and luminescence coupling in the subcells, which constitute the "balance sheets" of tandem solar cells.

  17. Absolute nuclear material assay using count distribution (LAMBDA) space

    DOEpatents

    Prasad, Mano K.; Snyderman, Neal J.; Rowland, Mark S.

    2015-12-01

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  18. Absolute nuclear material assay using count distribution (LAMBDA) space

    DOEpatents

    Prasad, Manoj K [Pleasanton, CA; Snyderman, Neal J [Berkeley, CA; Rowland, Mark S [Alamo, CA

    2012-06-05

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  19. Positioning, alignment and absolute pointing of the ANTARES neutrino telescope

    NASA Astrophysics Data System (ADS)

    Fehr, F.; Distefano, C.; Antares Collaboration

    2010-01-01

    A precise detector alignment and absolute pointing is crucial for point-source searches. The ANTARES neutrino telescope utilises an array of hydrophones, tiltmeters and compasses for the relative positioning of the optical sensors. The absolute calibration is accomplished by long-baseline low-frequency triangulation of the acoustic reference devices in the deep-sea with a differential GPS system at the sea surface. The absolute pointing can be independently verified by detecting the shadow of the Moon in cosmic rays.

  20. Position error correction in absolute surface measurement based on a multi-angle averaging method

    NASA Astrophysics Data System (ADS)

    Wang, Weibo; Wu, Biwei; Liu, Pengfei; Liu, Jian; Tan, Jiubin

    2017-04-01

    We present a method for position error correction in absolute surface measurement based on a multi-angle averaging method. Differences in shear rotation measurements at overlapping areas can be used to estimate the unknown relative position errors of the measurements. The model and the solving of the estimation algorithm have been discussed in detail. The estimation algorithm adopts a least-squares technique to eliminate azimuthal errors caused by rotation inaccuracy. The cost functions can be minimized to determine the true values of the unknowns of Zernike polynomial coefficients and rotation angle. Experimental results show the validity of the method proposed.

  1. Absolute quantification by droplet digital PCR versus analog real-time PCR

    PubMed Central

    Hindson, Christopher M; Chevillet, John R; Briggs, Hilary A; Gallichotte, Emily N; Ruf, Ingrid K; Hindson, Benjamin J; Vessella, Robert L; Tewari, Muneesh

    2014-01-01

    Nanoliter-sized droplet technology paired with digital PCR (ddPCR) holds promise for highly precise, absolute nucleic acid quantification. Our comparison of microRNA quantification by ddPCR and real-time PCR revealed greater precision (coefficients of variation decreased by 37–86%) and improved day-to-day reproducibility (by a factor of seven) of ddPCR but with comparable sensitivity. When we applied ddPCR to serum microRNA biomarker analysis, this translated to superior diagnostic performance for identifying individuals with cancer. PMID:23995387

  2. Absolute and Convective Instability of a Liquid Jet

    NASA Technical Reports Server (NTRS)

    Lin, S. P.; Hudman, M.; Chen, J. N.

    1999-01-01

    The existence of absolute instability in a liquid jet has been predicted for some time. The disturbance grows in time and propagates both upstream and downstream in an absolutely unstable liquid jet. The image of absolute instability is captured in the NASA 2.2 sec drop tower and reported here. The transition from convective to absolute instability is observed experimentally. The experimental results are compared with the theoretical predictions on the transition Weber number as functions of the Reynolds number. The role of interfacial shear relative to all other relevant forces which cause the onset of jet breakup is explained.

  3. Accurate van der Waals coefficients from density functional theory

    PubMed Central

    Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

    2012-01-01

    The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

  4. Two confidence interval approaches on the dependability coefficient in a two-factor crossed design.

    PubMed

    Ting, Naitee; Cappelleri, Joseph C; Bushmakin, Andrew G

    2009-07-01

    For decisions based on the absolute level of performance among individuals, the dependability coefficient-a ratio of variance components-is used as a measure of reliability. Two methods developed for a two-factor random effects crossed (or one-facet) design-the Arteaga, Jeyaratnam, and Graybill (AJG) approach and the Cappelleri and Ting (CT) approach-are applied to construct confidence intervals on the dependability coefficient. A simulation study is conducted to investigate and compare the confidence interval coverage on the dependability coefficient based on AJG and CT. Both methods generally meet at least the nominal coverage. Both methods are illustrated with examples.

  5. Absolute Plate Velocities from Seismic Anisotropy

    NASA Astrophysics Data System (ADS)

    Kreemer, Corné; Zheng, Lin; Gordon, Richard

    2015-04-01

    The orientation of seismic anisotropy inferred beneath plate interiors may provide a means to estimate the motions of the plate relative to the sub-asthenospheric mantle. Here we analyze two global sets of shear-wave splitting data, that of Kreemer [2009] and an updated and expanded data set, to estimate plate motions and to better understand the dispersion of the data, correlations in the errors, and their relation to plate speed. We also explore the effect of using geologically current plate velocities (i.e., the MORVEL set of angular velocities [DeMets et al. 2010]) compared with geodetically current plate velocities (i.e., the GSRM v1.2 angular velocities [Kreemer et al. 2014]). We demonstrate that the errors in plate motion azimuths inferred from shear-wave splitting beneath any one tectonic plate are correlated with the errors of other azimuths from the same plate. To account for these correlations, we adopt a two-tier analysis: First, find the pole of rotation and confidence limits for each plate individually. Second, solve for the best fit to these poles while constraining relative plate angular velocities to consistency with the MORVEL relative plate angular velocities. The SKS-MORVEL absolute plate angular velocities (based on the Kreemer [2009] data set) are determined from the poles from eight plates weighted proportionally to the root-mean-square velocity of each plate. SKS-MORVEL indicates that eight plates (Amur, Antarctica, Caribbean, Eurasia, Lwandle, Somalia, Sundaland, and Yangtze) have angular velocities that differ insignificantly from zero. The net rotation of the lithosphere is 0.25±0.11° Ma-1 (95% confidence limits) right-handed about 57.1°S, 68.6°E. The within-plate dispersion of seismic anisotropy for oceanic lithosphere (σ=19.2° ) differs insignificantly from that for continental lithosphere (σ=21.6° ). The between-plate dispersion, however, is significantly smaller for oceanic lithosphere (σ=7.4° ) than for continental

  6. Hood entry coefficients of compound exhaust hoods.

    PubMed

    Figueroa, Crescente E

    2011-12-01

    A traditional method for assessing the flow rate in ventilation systems is based on multiple readings of velocity or velocity pressure (VP) (usually 10 or 20 points) taken in ductwork sections located away from fittings (> seven × diameters of straight duct). This study seeks to eliminate the need for a multiple-point evaluation and replace it with a simplified method that requires only a single measurement of hood static pressure (SP(h)) taken at a more accessible location (< three × diameters of straight duct from the hood entry). The SP(h) method is widely used for the assessment of flow rate in simple hoods. However, industrial applications quite often use compound hoods that are regularly of the slot/plenum type. For these hoods, a "compound coefficient of entry" has not been published, which makes the use of the hood static pressure method unfeasible. This study proposes a model for the computation of a "compound coefficient of entry" and validates the use of this model to assess flow rate in two systems of well-defined geometry (multi-slotted/plenum and single-slotted/tapered or "fish-tail" types). When using a conservative value of the slot loss factor (1.78), the proposed model yielded an estimate of the volumetric flow rate within 10% of that provided by a more comprehensive method of assessment. The simplicity of the hood static pressure method makes it very desirable, even in the upper range of experimental error found in this study.

  7. Evaluation of the Absolute Regional Temperature Potential

    NASA Technical Reports Server (NTRS)

    Shindell, D. T.

    2012-01-01

    The Absolute Regional Temperature Potential (ARTP) is one of the few climate metrics that provides estimates of impacts at a sub-global scale. The ARTP presented here gives the time-dependent temperature response in four latitude bands (90-28degS, 28degS-28degN, 28-60degN and 60-90degN) as a function of emissions based on the forcing in those bands caused by the emissions. It is based on a large set of simulations performed with a single atmosphere-ocean climate model to derive regional forcing/response relationships. Here I evaluate the robustness of those relationships using the forcing/response portion of the ARTP to estimate regional temperature responses to the historic aerosol forcing in three independent climate models. These ARTP results are in good accord with the actual responses in those models. Nearly all ARTP estimates fall within +/-20%of the actual responses, though there are some exceptions for 90-28degS and the Arctic, and in the latter the ARTP may vary with forcing agent. However, for the tropics and the Northern Hemisphere mid-latitudes in particular, the +/-20% range appears to be roughly consistent with the 95% confidence interval. Land areas within these two bands respond 39-45% and 9-39% more than the latitude band as a whole. The ARTP, presented here in a slightly revised form, thus appears to provide a relatively robust estimate for the responses of large-scale latitude bands and land areas within those bands to inhomogeneous radiative forcing and thus potentially to emissions as well. Hence this metric could allow rapid evaluation of the effects of emissions policies at a finer scale than global metrics without requiring use of a full climate model.

  8. Modeling and predicting historical volatility in exchange rate markets

    NASA Astrophysics Data System (ADS)

    Lahmiri, Salim

    2017-04-01

    Volatility modeling and forecasting of currency exchange rate is an important task in several business risk management tasks; including treasury risk management, derivatives pricing, and portfolio risk evaluation. The purpose of this study is to present a simple and effective approach for predicting historical volatility of currency exchange rate. The approach is based on a limited set of technical indicators as inputs to the artificial neural networks (ANN). To show the effectiveness of the proposed approach, it was applied to forecast US/Canada and US/Euro exchange rates volatilities. The forecasting results show that our simple approach outperformed the conventional GARCH and EGARCH with different distribution assumptions, and also the hybrid GARCH and EGARCH with ANN in terms of mean absolute error, mean of squared errors, and Theil's inequality coefficient. Because of the simplicity and effectiveness of the approach, it is promising for US currency volatility prediction tasks.

  9. Orthogonality of spherical harmonic coefficients

    NASA Technical Reports Server (NTRS)

    Mcleod, M. G.

    1980-01-01

    Orthogonality relations are obtained for the spherical harmonic coefficients of functions defined on the surface of a sphere. Following a brief discussion of the orthogonality of Fourier series coefficients, consideration is given to the values averaged over all orientations of the coordinate system of the spherical harmonic coefficients of a function defined on the surface of a sphere that can be expressed in terms of Legendre polynomials for the special case where the function is the sum of two delta functions located at two different points on the sphere, and for the case of an essentially arbitrary function. It is noted that the orthogonality relations derived have found applications in statistical studies of the geomagnetic field.

  10. On Fourier coefficients of functions with respect to general orthonormal systems

    NASA Astrophysics Data System (ADS)

    Tsagareishvili, V. Sh.

    2017-02-01

    We present results describing some properties of the Fourier coefficients of functions with respect to general orthonormal systems (ONS). We note that good differential properties of the functions do not ensure the `good' behaviour of the Fourier coefficients (in the sense of convergence to zero) of these functions with respect to general ONS. We find conditions on the functions \\varphi_n(x) forming an ONS (\\varphi_n(x)), n=1,2,\\dots, for which the series of Fourier coefficients of the functions f(x), where f'(x)\\in V(0,1), are absolutely convergent. We consider relationships between ONS, that is, problems of absolute independence for orthonormal systems.

  11. Transport coefficients of gluonic fluid

    SciTech Connect

    Das, Santosh K.; Alam, Jan-e

    2011-06-01

    The shear ({eta}) and bulk ({zeta}) viscous coefficients have been evaluated for a gluonic fluid. The elastic, gg{yields}gg and the inelastic, number nonconserving, gg{yields}ggg processes have been considered as the dominant perturbative processes in evaluating the viscous coefficients to entropy density (s) ratios. Recently the processes: gg{yields}ggg has been revisited and a correction to the widely used Gunion-Bertsch (GB) formula has been obtained. The {eta} and {zeta} have been evaluated for gluonic fluid with the formula recently derived. At large {alpha}{sub s} the value of {eta}/s approaches its lower bound, {approx}1/4{pi}.

  12. Seebeck coefficient of one electron

    SciTech Connect

    Durrani, Zahid A. K.

    2014-03-07

    The Seebeck coefficient of one electron, driven thermally into a semiconductor single-electron box, is investigated theoretically. With a finite temperature difference ΔT between the source and charging island, a single electron can charge the island in equilibrium, directly generating a Seebeck effect. Seebeck coefficients for small and finite ΔT are calculated and a thermally driven Coulomb staircase is predicted. Single-electron Seebeck oscillations occur with increasing ΔT, as one electron at a time charges the box. A method is proposed for experimental verification of these effects.

  13. Gender equality and women's absolute status: a test of the feminist models of rape.

    PubMed

    Martin, Kimberly; Vieraitis, Lynne M; Britto, Sarah

    2006-04-01

    Feminist theory predicts both a positive and negative relationship between gender equality and rape rates. Although liberal and radical feminist theory predicts that gender equality should ameliorate rape victimization, radical feminist theorists have argued that gender equality may increase rape in the form of male backlash. Alternatively, Marxist criminologists focus on women's absolute socioeconomic status rather than gender equality as a predictor of rape rates, whereas socialist feminists combine both radical and Marxist perspectives. This study uses factor analysis to overcome multicollinearity limitations of past studies while exploring the relationship between women's absolute and relative socioeconomic status on rape rates in major U.S. cities using 2000 census data. The findings indicate support for both the Marxist and radical feminist explanations of rape but no support for the ameliorative hypothesis. These findings support a more inclusive socialist feminist theory that takes both Marxist and radical feminist hypotheses into account.

  14. Determination of Absolute Zero Using a Computer-Based Laboratory

    ERIC Educational Resources Information Center

    Amrani, D.

    2007-01-01

    We present a simple computer-based laboratory experiment for evaluating absolute zero in degrees Celsius, which can be performed in college and undergraduate physical sciences laboratory courses. With a computer, absolute zero apparatus can help demonstrators or students to observe the relationship between temperature and pressure and use…

  15. A Global Forecast of Absolute Poverty and Employment.

    ERIC Educational Resources Information Center

    Hopkins, M. J. D.

    1980-01-01

    Estimates are made of absolute poverty and employment under the hypothesis that existing trends continue. Concludes that while the number of people in absolute poverty is not likely to decline by 2000, the proportion will fall. Jobs will have to grow 3.9% per year in developing countries to achieve full employment. (JOW)

  16. Novalis' Poetic Uncertainty: A "Bildung" with the Absolute

    ERIC Educational Resources Information Center

    Mika, Carl

    2016-01-01

    Novalis, the Early German Romantic poet and philosopher, had at the core of his work a mysterious depiction of the "absolute." The absolute is Novalis' name for a substance that defies precise knowledge yet calls for a tentative and sensitive speculation. How one asserts a truth, represents an object, and sets about encountering things…

  17. Determination of the asymptotic normalization coefficients for 14C + n <--> 15C, the 14C(n, gamma)15C reaction rate, and evaluation of a new method to determine spectroscopic factors

    SciTech Connect

    McCleskey, M.; Mukhamedzhanov, A. M.; Trache, L.; Tribble, R. E.; Banu, A.; Eremenko, V.; Goldberg, V. Z.; Lui, Y. W.; McCleskey, E.; Roeder, B. T.; Spiridon, A.; Carstoiu, F.; Burjan, V.; Hons, Z.; Thompson, I. J.

    2014-04-17

    The 14C + n <--> 15C system has been used as a test case in the evaluation of a new method to determine spectroscopic factors that uses the asymptotic normalization coefficient (ANC). The method proved to be unsuccessful for this case. As part of this experimental program, the ANCs for the 15C ground state and first excited state were determined using a heavy-ion neutron transfer reaction as well as the inverse kinematics (d,p) reaction, measured at the Texas A&M Cyclotron Institute. The ANCs were used to evaluate the astrophysical direct neutron capture rate on 14C, which was then compared with the most recent direct measurement and found to be in good agreement. A study of the 15C SF via its mirror nucleus 15F and a new insight into deuteron stripping theory are also presented.

  18. Absolute radiometric calibration of advanced remote sensing systems

    NASA Technical Reports Server (NTRS)

    Slater, P. N.

    1982-01-01

    The distinction between the uses of relative and absolute spectroradiometric calibration of remote sensing systems is discussed. The advantages of detector-based absolute calibration are described, and the categories of relative and absolute system calibrations are listed. The limitations and problems associated with three common methods used for the absolute calibration of remote sensing systems are addressed. Two methods are proposed for the in-flight absolute calibration of advanced multispectral linear array systems. One makes use of a sun-illuminated panel in front of the sensor, the radiance of which is monitored by a spectrally flat pyroelectric radiometer. The other uses a large, uniform, high-radiance reference ground surface. The ground and atmospheric measurements required as input to a radiative transfer program to predict the radiance level at the entrance pupil of the orbital sensor are discussed, and the ground instrumentation is described.

  19. A developmental study of latent absolute pitch memory.

    PubMed

    Jakubowski, Kelly; Müllensiefen, Daniel; Stewart, Lauren

    2017-03-01

    The ability to recall the absolute pitch level of familiar music (latent absolute pitch memory) is widespread in adults, in contrast to the rare ability to label single pitches without a reference tone (overt absolute pitch memory). The present research investigated the developmental profile of latent absolute pitch (AP) memory and explored individual differences related to this ability. In two experiments, 288 children from 4 to12 years of age performed significantly above chance at recognizing the absolute pitch level of familiar melodies. No age-related improvement or decline, nor effects of musical training, gender, or familiarity with the stimuli were found in regard to latent AP task performance. These findings suggest that latent AP memory is a stable ability that is developed from as early as age 4 and persists into adulthood.

  20. Tables of the coefficients A

    NASA Technical Reports Server (NTRS)

    Chandra, N.

    1974-01-01

    Numerical coefficients required to express the angular distribution for the rotationally elastic or inelastic scattering of electrons from a diatomic molecule were tabulated for the case of nitrogen and in the energy range from 0.20 eV to 10.0 eV. Five different rotational states are considered.