Converting Sabine absorption coefficients to random incidence absorption coefficients.
Jeong, Cheol-Ho
2013-06-01
Absorption coefficients measured by the chamber method are referred to as Sabine absorption coefficients, which sometimes exceed unity due to the finite size of a sample and non-uniform intensity in the reverberation chambers under test. In this study, conversion methods from Sabine absorption coefficients to random incidence absorption coefficients are proposed. The overestimations of the Sabine absorption coefficient are investigated theoretically based on Miki's model for porous absorbers backed by a rigid wall or an air cavity, resulting in conversion factors. Additionally, three optimizations are suggested: An optimization method for the surface impedances for locally reacting absorbers, the flow resistivity for extendedly reacting absorbers, and the flow resistance for fabrics. With four porous type absorbers, the conversion methods are validated. For absorbers backed by a rigid wall, the surface impedance optimization produces the best results, while the flow resistivity optimization also yields reasonable results. The flow resistivity and flow resistance optimization for extendedly reacting absorbers are also found to be successful. However, the theoretical conversion factors based on Miki's model do not guarantee reliable estimations, particularly at frequencies below 250 Hz and beyond 2500 Hz.
NASA Astrophysics Data System (ADS)
McGillen, Max R.; Bernard, François; Fleming, Eric L.; Burkholder, James B.
2015-07-01
HCFC-133a (CF3CH2Cl), an ozone-depleting substance, is primarily removed from the atmosphere by gas-phase reaction with OH radicals and by UV photolysis. The rate coefficient, k, for the OH + HCFC-133a reaction was measured between 233 and 379 K and is given by k(T) = (9.32 ± 0.8) × 10-13 exp(-(1296 ± 28)/T), where k(296 K) was measured to be (1.10 ± 0.02) × 10-14 (cm3 molecule-1 s-1) (2σ precision uncertainty). The HCFC-133a UV absorption spectrum was measured between 184.95 and 240 nm at 213-323 K, and a spectrum parameterization is presented. The HCFC-133a atmospheric loss processes, lifetime, ozone depletion potential, and uncertainties were evaluated using a 2-D atmospheric model. The global annually averaged steady state lifetime and ozone depletion potential (ODP) were determined to be 4.45 (4.04-4.90) years and 0.017 (±0.001), respectively, where the ranges are based solely on the 2σ uncertainty in the kinetic and photochemical parameters. The infrared absorption spectrum of HCFC-133a was measured, and its global warming potential was determined to be 380 on the 100 year time horizon.
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.
Absorption coefficient instrument for turbid natural waters
NASA Technical Reports Server (NTRS)
Friedman, E.; Cherdak, A.; Poole, L.; Houghton, W.
1980-01-01
The paper presents an instrument that directly measures multispectral absorption coefficient of turbid natural water. Attention is given to the design, which is shown to incorporate methods for the compensation of variation in the internal light source intensity, correction of the spectrally dependent nature of the optical elements, and correction for variation in the background light level. In addition, when used in conjunction with a spectrally matched total attenuation instrument, the spectrally dependent scattering coefficient can also be derived. Finally, it is reported that systematic errors associated with multiple scattering have been estimated using Monte Carlo techniques.
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.
Aerosol Angstrom Absorption Coefficient Comparisons during MILAGRO.
NASA Astrophysics Data System (ADS)
Marley, N. A.; Marchany-Rivera, A.; Kelley, K. L.; Mangu, A.; Gaffney, J. S.
2007-12-01
aerosol Angstrom absorption exponents by linear regression over the entire UV-visible spectral range. These results are compared to results obtained from the absorbance measurements obtained in the field. The differences in calculated Angstrom absorption exponents between the field and laboratory measurements are attributed partly to the differences in time resolution of the sample collection resulting in heavier particle pileup on the filter surface of the 12-hour samples. Some differences in calculated results can also be attributed to the presence of narrow band absorbers below 400 nm that do not fall in the wavelengths covered by the 7 wavelengths of the aethalometer. 1. Marley, N.A., J.S. Gaffney, J.C. Baird, C.A. Blazer, P.J. Drayton, and J.E. Frederick, "The determination of scattering and absorption coefficients of size-fractionated aerosols for radiative transfer calculations." Aerosol Sci. Technol., 34, 535-549, (2001). This work was conducted as part of the Department of Energy's Atmospheric Science Program as part of the Megacity Aerosol Experiment - Mexico City during MILAGRO. This research was supported by the Office of Science (BER), U.S. Department of Energy Grant No. DE-FG02-07ER64329. We also wish to thank Mexican Scientists and students for their assistance from the Instituto Mexicano de Petroleo (IMP) and CENICA.
Continuum Absorption Coefficient of Atoms and Ions
NASA Technical Reports Server (NTRS)
Armaly, B. F.
1979-01-01
The rate of heat transfer to the heat shield of a Jupiter probe has been estimated to be one order of magnitude higher than any previously experienced in an outer space exploration program. More than one-third of this heat load is due to an emission of continuum radiation from atoms and ions. The existing computer code for calculating the continuum contribution to the total load utilizes a modified version of Biberman's approximate method. The continuum radiation absorption cross sections of a C - H - O - N ablation system were examined in detail. The present computer code was evaluated and updated by being compared with available exact and approximate calculations and correlations of experimental data. A detailed calculation procedure, which can be applied to other atomic species, is presented. The approximate correlations can be made to agree with the available exact and experimental data.
Effect of applied mechanical stress on absorption coefficient of compounds
Gupta, Manoj Kumar; Singh, Gurinderjeet; Dhaliwal, A. S.; Kahlon, K. S.
2015-08-28
The absorption coefficient of given materials is the parameter required for the basic information. The measurement of absorption coefficient of compounds Al{sub 2}O{sub 3}, CaCO{sub 3}, ZnO{sub 2}, SmO{sub 2} and PbO has been taken at different incident photon energies 26, 59.54, 112, 1173, 1332keV. The studies involve the measurements of absorption coefficient of the self supporting samples prepared under different mechanical stress. This mechanical stress is render in terms of pressure up to 0-6 ton by using hydraulic press. Measurements shows that absorption coefficient of a material is directly proportional to applied mechanical stress on it up to some extent then become independent. Experimentally measured results are in fairly good agreement with in theoretical values obtained from WinXCOM.
[Influencing factors in measuring absorption coefficient of suspended particulate matters].
Yu, Xiao-long; Shen, Fang; Zhang, Jin-fang
2013-05-01
Absorption coefficient of suspended particulate matters in natural water is one of the key parameters in ocean color remote sensing. In order to study the influencing factors that affect the measurement, a series of experiments were designed to measure samples using transmittance method (T method), transmittance-reflectance method (T-R method) and absorptance method (A method). The results shows that absorption coefficient measured by the A method has a much lower error compared to the T method and T-R method due to influencing factors,such as filter-to-filter variations, water content of the filter, and homogeneity of filter load and so on. Another factor influence absorption coefficient is path-length amplification induced by multiple scattering inside the filter. To determine the path-length amplification, the true absorption was measured by AC-s (WetLabs). The linear fitting result shows that the mean path-length amplification is much higher for the A method than that of the T-R method and the T method (4.01 versus 2.20 and 2.32), and the corresponding correlation coefficient are 0.90, 0.87 and 0.80. For the A method and the T-R method, higher correlation coefficients are calculated when using polynomial fitting, and the value are 0.95 and 0.94. Analysis of the mean relative error caused by different influencing factors indicates that path-length amplification is the largest error source in measuring the absorption coefficient.
Scattering and absorption coefficients of silica-doped alumina aerogels.
Fu, Tairan; Tang, Jiaqi; Chen, Kai; Zhang, Fan
2016-02-01
Alumina-based aerogels are especially useful in many applications due to their excellent stability at high temperatures. This study experimentally analyzed the radiative properties of silica-doped alumina aerogels through spectral directional-hemispherical measurements for wavelengths of 0.38-25 μm. The silica-doped alumina aerogel samples were prepared with a 1.4∶1 molar ratio of silica to alumina. A two-flux model was used to describe the radiation propagation in a 1D scattering absorbing sample to derive expressions for the normal-hemispherical transmittances and reflectances based on the transport approximation. The normal-hemispherical transmittances and reflectances were measured at various spectral wavelengths and sample thicknesses using the integrating sphere method. The spectral absorption and transport scattering coefficients of silica-doped alumina aerogels were then determined from the measured normal-hemispherical data. The absorption and transport scattering coefficients of silica-doped alumina aerogels are (0.1 cm-1, 36 cm-1) and (0.1 cm-1, 112 cm-1) for wavelengths of 0.38-8.0 μm. The spectral transport scattering coefficient varies in the opposite direction from the spectral absorption coefficient for various wavelengths. The radiative properties for silica and alumina aerogels were quite different for the absorption coefficient for wavelengths of 2.5-8.0 μm and for the transport scattering coefficient for wavelengths of 0.38-2.5 and 3.5-6.0 μm. The measured radiative properties were used to predict the spectral normal-hemispherical reflectance and transmittance of the silica-doped alumina aerogels for various sample thicknesses and wavelengths. The predicted values do not change for the sample thicknesses greater than a critical value. The analysis provides valuable reference data for alumina aerogels for high-temperature applications. PMID:26836071
Rate coefficient for the reaction N + NO
NASA Technical Reports Server (NTRS)
Fox, J. L.
1994-01-01
Evidence has been advanced that the rate coefficient for the reaction N + NO right arrow N2 + O has a small positive temperature dependence at the high temperatures (900 to 1500 K) that prevail in the terrestrial middle and upper thermosphere by Siskind and Rusch (1992), and at the low temperatures (100 to 200 K) of the Martian lower thermosphere by Fox (1993). Assuming that the rate coefficient recommended by the Jet Propulsion Laboratory evaluation (DeMore et al., 1992) is accurate at 300 K, we derive here the low temperature value of the activation energy for this reaction and thus the rate coefficient that best fits the Viking 1 measured NO densities. We find that the fit is acceptable for a rate coefficient of about 1.3 x 10(exp -10)(T/300)(exp 0.5)exp(-400/T) and better for a value of about 2.5 x 10(exp -10)(T/300)(exp 0.5)exp(-600/T)cu cm/s.
Li, Xiaoqi; Jiang, Huabei
2013-02-21
We present a study through extensive simulation that considers the impact of inhomogeneous optical scattering coefficient distribution on recovery of optical absorption coefficient maps using tomographic photoacoustic data collected from media mimicking breast tissue. We found that while the impact of scattering heterogeneities/targets is modest on photoacoustic recovery of optical absorption coefficients, the impact of scattering contrast caused by adipose tissue, a layer of normal tissue along the boundary of the breast, is dramatic on reconstruction of optical absorption coefficients using photoacoustic data-up to 25.8% relative error in recovering the absorption coefficient is estimated in such cases. To overcome this problem, we propose a new method to enhance photoacoustic recovery of the optical absorption coefficient in heterogeneous media by considering inhomogeneous scattering coefficient distribution provided by diffuse optical tomography (DOT). Results from extensive simulations show that photoacoustic recovery of absorption coefficient maps can be improved considerably with a priori scattering information from DOT.
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
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
Absorption-coefficient-determination method for particulate materials.
Lindberg, J D; Douglass, R E; Garvey, D M
1994-07-01
A method is presented for determining the optical absorption coefficient, or the imaginary refractive index, of particulate material that has been collected from aerosols or hydrosols by means of filtration. The method, based on the Kubelka-Munk theory of diffuse reflectance, is nondestructive and requires no other knowledge of the sample than the amount present, the specific gravity, and an estimate of the real index of refraction. The theoretical development of the method is discussed along with an analysis of photometric and gravimetric errors. We test the method by comparing results obtained for powdered didymium glass with measurements made before the glass was crushed. An example of the method's application to the determination of the absorption coefficient of atmospheric dust at UV, visible, and near-IR wavelengths is also presented.
Absorption-coefficient-determination method for particulate materials.
Lindberg, J D; Douglass, R E; Garvey, D M
1994-07-01
A method is presented for determining the optical absorption coefficient, or the imaginary refractive index, of particulate material that has been collected from aerosols or hydrosols by means of filtration. The method, based on the Kubelka-Munk theory of diffuse reflectance, is nondestructive and requires no other knowledge of the sample than the amount present, the specific gravity, and an estimate of the real index of refraction. The theoretical development of the method is discussed along with an analysis of photometric and gravimetric errors. We test the method by comparing results obtained for powdered didymium glass with measurements made before the glass was crushed. An example of the method's application to the determination of the absorption coefficient of atmospheric dust at UV, visible, and near-IR wavelengths is also presented. PMID:20935789
A high absorption coefficient DL-MPP imitating owl skin
NASA Astrophysics Data System (ADS)
Guo, Lijun; Zhao, Zhan; Kong, Deyi; Wu, Shaohua; Du, Lidong; Fang, Zhen
2012-11-01
This paper proposes a high absorption coefficient micro-perforated panel (MPP) imitating owl skin structure for acoustic noise reduction. Compared to the traditional micro-perforated panel, this device has two unique characteristics-simulating the owl skin structure, its radius of perforated apertures even can be as small as 55μ, and its material is silicon and fabricated by micro-electrical mechanical system (MEMS) technology; So that its absorption coefficients of acoustic noise for normal incidence sound wave whose frequencies arrange from 1.5 kHz to 6.0 kHz are all above 0.8 which is the owl's hunts sensitivity frequency band. Double leaf MPP fabricated by MEMS technology is an absolutely bionic success in functional-imitation.
NASA Astrophysics Data System (ADS)
Orlova, K. N.; Borovikov, I. F.; Gaidamak, M. A.
2016-08-01
The paper presents background value equivalent dose of gamma-radiation investigation in different weather: clear cloudy and overcast. The change of the dose rate of gamma radiation, depending on the weather and the ability cloudiness to shield gamma rays is shown. A new method for eliminating the consequences of accidents at nuclear power plants or plants using radioactive elements is proposed. A calculation method of cloudiness coefficient absorption and cloudiness gamma-radiation multiplicity attenuation is developed. The gamma- radiation multiplicity attenuation and the absorption coefficient of gamma radiation were calculated.
Size segregated light absorption coefficient of the atmospheric aerosol
NASA Astrophysics Data System (ADS)
Horvath, H.
The light absorption coefficient of atmospheric aerosols in the visible can be determined by depositing the particles on a filter and measuring its "transmission" in a special optical arrangement. With an impactor with rotating impaction plates producing a homogeneous deposit, it is possible to extend this technique to size segregated aerosol samples. A simultaneous determination of the mass size distribution is possible. Test measurements with black carbon aerosol have shown the feasibility of this method. Samples of the atmospheric aerosol have been taken in and near Vienna, in Naples and near Bologna. The light absorption of the aerosol is always highest for particle diameters between 0.1 and 0.2 μm. Only in the humid environment of the Po valley it had a slightly larger peak size, whereas the size of the nonabsorbing particles increased considerably. The light absorption of the atmospheric aerosol is always higher in an urban environment. 'The mass absorption coefficient of the aerosol at all four locations was very similar, and completely different from values which could be. expected using effective refractive indices which are frequently used in models. Using the data measured in this work two alternate models for the effective refractive index and black carbon content of the aerosol are suggested: (a) a size-dependent refractive index, where the imaginary part varies from -0.25 for particles smaller than 30 nm to - 0.003 for particles larger than 2 μm; this could especially be applied if an internal mixing of the aerosol is to be expected, or (2) a size-dependent fraction of elemental carbon in the case of external mixing with 43% of carbon particles for sizes below 30 nm decreasing to 10% for sizes up to 0.4 μm.
A method for monitoring nuclear absorption coefficients of aviation fuels
NASA Technical Reports Server (NTRS)
Sprinkle, Danny R.; Shen, Chih-Ping
1989-01-01
A technique for monitoring variability in the nuclear absorption characteristics of aviation fuels has been developed. It is based on a highly collimated low energy gamma radiation source and a sodium iodide counter. The source and the counter assembly are separated by a geometrically well-defined test fuel cell. A computer program for determining the mass attenuation coefficient of the test fuel sample, based on the data acquired for a preset counting period, has been developed and tested on several types of aviation fuel.
Measurements of the absorption coefficient of stratospheric aerosols
NASA Technical Reports Server (NTRS)
Ogren, J. A.; Ahlquist, N. C.; Clarke, A. D.; Charlson, R. J.
1981-01-01
The absorption coefficients of stratospheric aerosols are measured using a variation on the integrating plate method. The technique is based on the decrease in the transparency of a substrate when an absorbing aerosol is deposited on it. A Lambert scatterer is placed behind the substrate to integrate forward scattered light and minimize the effect of scattering on the measurement. The low pressure in the stratosphere is used for the direct impaction of particles onto a narrow strip of opal glass. The eight samples collected had a median value of 4 x 10 to the -9th m with an uncertainty of + or - 5 x 10 to the -9th m. If this absorption is due to graphitic carbon, then its concentration is estimated at about 0.4 ng/cu m, or about 0.25% of the total aerosol mass concentration. Estimates of the aerosol scattering coefficients based on satellite extinction inversions result in an aerosol single-scattering albedo in the range of 0.96-1.0.
Photon absorption potential coefficient as a tool for materials engineering
NASA Astrophysics Data System (ADS)
Akande, Raphael Oluwole; Oyewande, Emmanuel Oluwole
2016-09-01
Different atoms achieve ionizations at different energies. Therefore, atoms are characterized by different responses to photon absorption in this study. That means there exists a coefficient for their potential for photon absorption from a photon source. In this study, we consider the manner in which molecular constituents (atoms) absorb photon from a photon source. We observe that there seems to be a common pattern of variation in the absorption of photon among the electrons in all atoms on the periodic table. We assume that the electrons closest to the nucleus (En) and the electrons closest to the outside of the atom (Eo) do not have as much potential for photon absorption as the electrons at the middle of the atom (Em). The explanation we give to this effect is that the En electrons are embedded within the nuclear influence, and similarly, Eo electrons are embedded within the influence of energies outside the atom that there exists a low potential for photon absorption for them. Unlike En and Eo, Em electrons are conditioned, such that there is a quest for balance between being influenced either by the nuclear force or forces external to the atom. Therefore, there exists a higher potential for photon absorption for Em electrons than for En and Eo electrons. The results of our derivations and analysis always produce a bell-shaped curve, instead of an increasing curve as in the ionization energies, for all elements in the periodic table. We obtained a huge data of PAPC for each of the several materials considered. The point at which two or more PAPC values cross one another is termed to be a region of conflicting order of ionization, where all the atoms absorb equal portion of the photon source at the same time. At this point, a greater fraction of the photon source is pumped into the material which could lead to an explosive response from the material. In fact, an unimaginable and unreported phenomenon (in physics) could occur, when two or more PAPCs cross, and
Measurement of the absorption coefficient of acoustical materials using the sound intensity method
NASA Technical Reports Server (NTRS)
Atwal, Mahabir S.; Crocker, Malcolm J.
1987-01-01
In this study the possibility of using the two-microphone sound intensity technique to measure the normal incidence and the random incidence sound absorption coefficient was investigated. The normal incidence absorption coefficient was determined by measuring the intensity incidence on the sample and the intensity reflected by the sample placed in an anechoic chamber. The random incidence absorption coefficient was determined by measuring the intensity incident on the sample and the intensity reflected by the sample placed in a reverberation chamber. Absorption coefficient results obtained by the sound intensity technique were compared with standard techniques, namely the reverberation chamber and the standing wave tube. The major advantages of using the sound intensity technique are that it permits 'in situ' measurements and the absorption coefficient for a large range of frequencies can be obtained from a single measurement.
Dynamic absorption coefficients of CAR and non-CAR resists at EUV
NASA Astrophysics Data System (ADS)
Fallica, Roberto; Stowers, Jason K.; Grenville, Andrew; Frommhold, Andreas; Robinson, Alex P. G.; Ekinci, Yasin
2016-03-01
The dynamic absorption coefficients of several CAR and non-CAR EUV photoresists are measured experimentally using a specifically developed setup in transmission mode at the XIL beamline of the Swiss Light Source. The absorption coefficient α and the Dill parameters ABC were measured with unprecedented accuracy. In general the α of resists match very closely with the theoretical value calculated from elemental densities and absorption coefficients, whereas exceptions are observed. In addition, through the direct measurements of the absorption coefficients and dose-to-clear values, we introduce a new figure of merit called Chemical Sensitivity to account for all the post-absorption chemical reaction ongoing in the resist, which is also predicts a quantitative clearing volume, and respectively clearing radius, due to the photon absorption in the resist. These parameters may help in deeper insight into the underlying mechanisms of EUV concept of clearing volume and clearing radius are then defined and quantitatively calculated.
NASA Astrophysics Data System (ADS)
Singh, Vishwanath P.; Medhat, M. E.; Badiger, N. M.
2015-01-01
Geant4 Monte Carlo code simulations were used to solve experimental and theoretical complications for calculation of mass energy-absorption coefficients of elements, air, and compounds. The mass energy-absorption coefficients for nuclear track detectors were computed first time using Geant4 Monte Carlo code for energy 1 keV-20 MeV. Very good agreements for simulated results of mass energy-absorption coefficients for carbon, nitrogen, silicon, sodium iodide and nuclear track detectors were observed on comparison with the values reported in the literatures. Kerma relative to air for energy 1 keV-20 MeV and energy absorption buildup factors for energy 50 keV-10 MeV up to 10 mfp penetration depths of the selected nuclear track detectors were also calculated to evaluate the absorption of the gamma photons. Geant4 simulation can be utilized for estimation of mass energy-absorption coefficients in elements and composite materials.
Measurement of the absorption coefficient using the sound-intensity technique
NASA Technical Reports Server (NTRS)
Atwal, M.; Bernhard, R.
1984-01-01
The possibility of using the sound intensity technique to measure the absorption coefficient of a material is investigated. This technique measures the absorption coefficient by measuring the intensity incident on the sample and the net intensity reflected by the sample. Results obtained by this technique are compared with the standard techniques of measuring the change in the reverberation time and the standing wave ratio in a tube, thereby, calculating the random incident and the normal incident adsorption coefficient.
NASA Astrophysics Data System (ADS)
Müller, T.; Schladitz, A.; Massling, A.; Kaaden, N.; Kandler, K.; Wiedensohler, A.
2009-02-01
ABSTRACT During the SAMUM-1 experiment, absorption coefficients and imaginary parts of refractive indices of mineral dust particles were investigated in southern Morocco. Main absorbing constituents of airborne samples were identified to be iron oxide and soot. Spectral absorption coefficients were measured using a spectral optical absorption photometer (SOAP) in the wavelength range from 300 to 800 nm with a resolution of 50 nm. A new method that accounts for a loading-dependent correction of fibre filter based absorption photometers, was developed. The imaginary part of the refractive index was determined using Mie calculations from 350 to 800 nm. The spectral absorption coefficient allowed a separation between dust and soot absorption. A correlation analysis showed that the dust absorption coefficient is correlated (R2 up to 0.55) with the particle number concentration for particle diameters larger than 0.5 μm, whereas the coefficient of determination R2 for smaller particles is below 0.1. Refractive indices were derived for both the total aerosol and a dust aerosol that was corrected for soot absorption. Average imaginary parts of refractive indices of the entire aerosol are 7.4 × 10-3, 3.4 × 10-3 and 2.0 × 10-3 at wavelengths of 450, 550 and 650 nm. After a correction for the soot absorption, imaginary parts of refractive indices are 5.1 × 10-3, 1.6 × 10-3 and 4.5 × 10-4.
Absorption Coefficient Imaging by Near-Field Scanning Optical Microscopy in Bacteria
NASA Astrophysics Data System (ADS)
de Paula, Ana M.; Chaves, Claudilene R.; Silva, Haroldo B.; Weber, Gerald
2003-06-01
We present a method for obtaining a position-dependent absorption coefficient from near-field scanning optical transmission microscopy. We show that the optical transmission intensity can be combined with the topography, resulting into an absorption coefficient that simplifies the analysis of different materials within a sample. The method is tested with the dye rhodamine 6G, and we show some analysis in biological samples such as bacteria Klebsiella pneumoniae and Pseudomonas aeruginosa . The calculated absorption coefficient images show important details of the bacteria, in particular for P. aeruginosa , in which membrane vesicles are clearly seen.
Absorption coefficients for water vapor at 193 nm from 300 to 1073 K
NASA Technical Reports Server (NTRS)
Kessler, W. J.; Carleton, K. L.; Marinelli, W. J.
1993-01-01
Measurements of the water absorption coefficient at 193 nm from 300 to 1073 K are reported. The measurements were made using broadband VUV radiation and a monochromator-based detection system. The water vapor was generated by a saturator and metered into a flowing, 99 cm absorption cell via a water vapor mass flow meter. The 193 nm absorption coefficient measurements are compared to room temperature and high temperature shock tube measurements with good agreement. The absorption can be parameterized by a nu3 vibrational mode reaction coordinate and the thermal population of the nu3 mode.
NASA Astrophysics Data System (ADS)
Wex, Heike; Neusüß, Christian; Wendisch, Manfred; Stratmann, Frank; Koziar, Christian; Keil, Andreas; Wiedensohler, Alfred; Ebert, Martin
2002-11-01
Comparisons between measured and calculated aerosol scattering, backscattering, and absorption coefficients were made based on in situ, ground-based measurements during the Melpitz INTensive (MINT) and Lindenberg Aerosol Characterization Experiment 1998 (LACE 98) field studies. Furthermore, airborne measurements made with the same type of instruments are reviewed and compared with the ground-based measurements. Agreement between measured and calculated values is on the order of ±20% for scattering and backscattering coefficients. A sensitivity analysis showed a large influence on the calculated particle scattering and backscattering coefficients resulting from sizing uncertainties in the measured number size distributions. Measured absorption coefficients were significantly smaller than the corresponding calculated values. The largest uncertainty for the calculated absorption coefficients resulted from the size-dependent fraction of elemental carbon (EC) of the aerosol. A correction for the measured fractions of EC could significantly improve the agreement between measured and calculated absorption coefficients. The overall uncertainty of the calculated values was investigated with a Monte Carlo method by simultaneously and randomly varying the input parameters of the calculations, where the variation of each parameter was bounded by its uncertainty. The measurements were mostly found to be within the range of uncertainties of the calculations, with uncertainties for the calculated scattering and backscattering coefficients of about ±20% and for the absorption coefficients of about ±30%. Thus, to increase the accuracy of calculated scattering, backscattering, and absorption coefficients, it is crucial to further reduce the error in particle number size distribution measurement techniques. In addition, further improvement of the techniques for measuring absorption coefficients and further investigation of the measurement of the fraction of EC of the aerosol is
A method for determination mass absorption coefficient of gamma rays by Compton scattering.
El Abd, A
2014-12-01
A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed.
Hoge, F E; Wright, C W; Lyon, P E; Swift, R N; Yungel, J K
1999-12-20
Oceanic radiance model inversion methods are used to develop a comprehensive algorithm for retrieval of the absorption coefficients of phycourobilin (PUB) pigment, type I phycoerythrobilin (PEB) pigment rich in PUB, and type II PEB deficient in PUB pigment (together with the usual "big three" inherent optical properties: the total backscattering coefficient and the absorption coefficients of chromophoric dissolved organic matter (CDOM)-detritus and phytoplankton). This fully modeled inversion algorithm is then simplified to yield a hybrid modeled-unmodeled inversion algorithm in which the phycoerythrin (PE) absorption coefficient is retrieved as unmodeled 488-nm absorption (which exceeds the modeled phytoplankton and the CDOM-detritus absorption coefficients). Each algorithm was applied to water-leaving radiances, but only hybrid modeled-unmodeled inversions yielded viable retrievals of the PE absorption coefficient. Validation of the PE absorption coefficient retrieval was achieved by relative comparison with airborne laser-induced PEB fluorescence. The modeled-unmodeled retrieval of four inherent optical properties by direct matrix inversion is rapid and well conditioned, but the accuracy is strongly limited by the accuracy of the three principal inherent optical property models across all four spectral bands. Several research areas are identified to enhance the radiance-model-based retrievals: (a) improved PEB and PUB absorption coefficient models, (b) PE spectral shifts induced by PUB chromophore substitution at chromophore binding sites, (c) specific absorption-sensitive phytoplankton absorption modeling, (d) total constituent backscattering modeling, (e) unmodeled carotinoid and phycocyanin absorption that are not now accounted for in the chlorophyll-dominated phytoplankton absorption coefficient model, and (f) iterative inversion techniques to solve for six constituents with only five radiances. Although considerable progress has been made toward the
NASA Astrophysics Data System (ADS)
Nguyen, Hieu T.; Rougieux, Fiacre E.; Mitchell, Bernhard; Macdonald, Daniel
2014-01-01
The band-band absorption coefficient in crystalline silicon has been determined using spectral photoluminescence measurements across the wavelength range of 990-1300 nm, and a parameterization of the temperature dependence has been established to allow interpolation of accurate values of the absorption coefficient for any temperature between 170 and 363 K. Band-band absorption coefficient measurements across a temperature range of 78-363 K are found to match well with previous results from MacFarlane et al. [Phys. Rev. 111, 1245 (1958)], and are extended to significantly longer wavelengths. In addition, we report the band-band absorption coefficient across the temperature range from 270-350 K with 10 K intervals, a range in which most practical silicon based devices operate, and for which there are only sparse data available at present. Moreover, the absorption coefficient is shown to vary by up to 50% for every 10 K increment around room temperature. Furthermore, the likely origins of the differences among the absorption coefficient of several commonly referenced works by Green [Sol. Energy Mater. Sol. Cells 92, 1305 (2008)], Daub and Würfel [Phys. Rev. Lett. 74, 1020 (1995)], and MacFarlane et al. [Phys. Rev. 111, 1245 (1958)] are discussed.
Experiment to Determine the Absorption Coefficient of Gamma Rays as a Function of Energy.
ERIC Educational Resources Information Center
Ouseph, P. J.; And Others
1982-01-01
Simpler than x-ray diffractometer experiments, the experiment described illustrates certain concepts regarding the interaction of electromagnetic rays with matter such as the exponential decrease in the intensity with absorber thickness, variation of the coefficient of absorption with energy, and the effect of the K-absorption edge on the…
Determination of absorption coefficients in AlInP lattice matched to GaAs
NASA Astrophysics Data System (ADS)
Cheong, J. S.; Ng, J. S.; Krysa, A. B.; Ong, J. S. L.; David, J. P. R.
2015-10-01
The absorption properties of Al0.52In0.48P have been investigated near the fundamental absorption edge by measuring the photocurrent as a function of wavelength in a series of PIN and NIP diodes. Modelling of the photocurrent in these structures enables the absorption coefficients to be determined accurately over a wide dynamic range, which allows the direct and indirect band-gap to be determined.
ERIC Educational Resources Information Center
Cordon, Gabriela B.; Lagorio, M. Gabriela
2007-01-01
A biophysical-chemistry experiment, based on the reflectance spectroscopy for calculating the absorption and scattering coefficients of leaves is described. The results show that different plants species exhibit different values for both the coefficients because of their different pigment composition.
Tunable diode laser measurements of HO2NO2 absorption coefficients near 12.5 microns
NASA Technical Reports Server (NTRS)
May, R. D.; Molina, L. T.; Webster, C. R.
1988-01-01
A tunable diode laser spectrometer has been used to measure absorption coefficients of peroxynitric acid (HO2NO2) near the 803/cm Q branch. HO2NO2 concentrations in a low-pressure flowing gas mixture were determined from chemical titration procedures and UV absorption spectroscopy. The diode laser measured absorption coefficients, at a spectral resolution of better than 0.001/cm, are about 10 percent larger than previous Fourier transform infrared measurements made at a spectral resolution of 0.06/cm.
Extinction and absorption coefficients and scattering phase functions of human tissues in vitro.
Marchesini, R; Bertoni, A; Andreola, S; Melloni, E; Sichirollo, A E
1989-06-15
Optical properties of different human tissues in vitro have been evaluated by measuring extinction and absorption coefficients at 635- and 515-nm wavelengths and a scattering angular dependence at 635 nm. Extinction was determined by the on-axis attenuation of light transmitted through sliced specimens of various thicknesses. The absorption coefficient was determined by placing samples into an integrating sphere. The Henyey-Greenstein function was used for fitting experimental data of the scattering pattern. The purpose of this work was to contribute to the study of light propagation in mammalian tissues. The results show that, for the investigated tissues, extinction coefficients range from ~200 to 500 cm(-1) whereas absorption coefficients, depending on wavelength, vary from 0.2 to 25 cm(-1). Scattering is forward peaked with an average cosine of ~0.7.
NASA Astrophysics Data System (ADS)
Kopelevich, Oleg V.; Filippov, Yuri V.
1994-10-01
The goal of this work is to verify different spectral models of the diffuse attenuation and absorption coefficients of sea water and to work out a recommendation for their use. It is shown that the spectral models of the diffuse attenuation coefficient Kd((lambda) ) developed by Austin, Petzold, 1984 and by Volynsky, Sud'bin, 1992 correspond with each other, as well the models of Ivanov, Shemshura, 1973 and of Kopelevich, Shemshura, 1988 for calculation of the spectral absorption coefficient a((lambda) ) on the values of Kd((lambda) ). Theoretical foundation of the relation between a((lambda) ) and Kd((lambda) ) is given. The up-to-date physical model of the sea water light absorption is considered and checked by means of comparison with measured values of the attenuation coefficient at the ultraviolet and visible spectral ranges.
Measurements of Soot Mass Absorption Coefficients from 300 to 660 nm
NASA Astrophysics Data System (ADS)
Renbaum-Wolff, Lindsay; Fisher, Al; Helgestad, Taylor; Lambe, Andrew; Sedlacek, Arthur; Smith, Geoffrey; Cappa, Christopher; Davidovits, Paul; Onasch, Timothy; Freedman, Andrew
2016-04-01
Soot, a product of incomplete combustion, plays an important role in the earth's climate system through the absorption and scattering of solar radiation. In particular, the assumed mass absorption coefficient (MAC) of soot and its variation with wavelength presents a significant uncertainty in the calculation of radiative forcing in global climate change models. As part of the fourth Boston College/Aerodyne soot properties measurement campaign, we have measured the mass absorption coefficient of soot produced by an inverted methane diffusion flame over a spectral range of 300-660 nm using a variety of optical absorption techniques. Extinction and absorption were measured using a dual cavity ringdown photoacoustic spectrometer (CRD-PAS, UC Davis) at 405 nm and 532 nm. Scattering and extinction were measured using a CAPS PMssa single scattering albedo monitor (Aerodyne) at 630 nm; the absorption coefficient was determined by subtraction. In addition, the absorption coefficients in 8 wavelength bands from 300 to 660 nm were measured using a new broadband photoacoustic absorption monitor (UGA). Soot particle mass was quantified using a centrifugal particle mass analyzer (CPMA, Cambustion), mobility size with a scanning mobility particle sizer (SMPS, TSI) and soot concentration with a CPC (Brechtel). The contribution of doubly charged particles to the sample mass was determined using a Single Particle Soot Photometer (DMT). Over a mass range of 1-8 fg, corresponding to differential mobility diameters of ~150 nm to 550 nm, the value of the soot MAC proved to be independent of mass for all wavelengths. The wavelength dependence of the MAC was best fit to a power law with an Absorption Ångstrom Coefficient slightly greater than 1.
Nonlinear absorption coefficient of pulsed laser deposited MgZnO thin film
Agrawal, Arpana Dar, Tanveer A.; Solanki, Ravi; Sen, Pratima; Phase, D. M.
2015-06-24
We report the imaginary part of 3{sup rd} order nonlinear susceptibility and the nonlinear absorption coefficient of Mg doped ZnO thin film using standard Z-scan technique. The origin of nonlinear absorption is attributed to the two photon absorption followed by the free carrier absorption because of the presence of oxygen vacancy defects. We have also confirmed the experimental results with the theoretical results obtained by considering the steady state response of a two level atom with the monochromatic field models.
Modeling NAPL dissolution fingering with upscaled mass transfer rate coefficients
NASA Astrophysics Data System (ADS)
Imhoff, Paul T.; Farthing, Matthew W.; Miller, Cass T.
2003-10-01
The dissolution of nonaqueous phase liquids (NAPLs) at residual saturation in porous media has sometimes resulted in the development of preferential dissolution pathways or NAPL dissolution fingers. While NAPL dissolution fingering may be modeled using numerical simulators with fine discretization, this approach is computational intensive. We derived an expression for an upscaled mass transfer rate coefficient that accounts for the growth of dissolution fingers within porous media contaminated uniformly with residual NAPL. This expression was closely related to the lengthening of the dissolution front. Data from physical experiments and numerical simulations in two dimensions were used to examine the growth of the dissolution front and the corresponding upscaled mass transfer rate coefficient. Using this upscaled mass transfer rate coefficient, the time when dissolution fingering results in a reduction in the overall mass transfer rate and thus controls the rate of NAPL dissolution was determined. This crossover time is a convenient parameter for assessing the influence of dissolution fingering on NAPL removal. For the physical experiments and numerical simulations analyzed in this study, the crossover time to dissolution fingering control always occurred before the dissolution front had moved 14 cm within NAPL-contaminated porous media, which is small compared to the scale of typical systems of concern. To verify the utility of this approach, data from a three-dimensional physical experiment were predicted reasonably well using an upscaled mass transfer rate coefficient that was determined independently from this experiment.
The Influence of Particle Charge on Heterogeneous Reaction Rate Coefficients
NASA Technical Reports Server (NTRS)
Aikin, A. C.; Pesnell, W. D.
2000-01-01
The effects of particle charge on heterogeneous reaction rates are presented. Many atmospheric particles, whether liquid or solid are charged. This surface charge causes a redistribution of charge within a liquid particle and as a consequence a perturbation in the gaseous uptake coefficient. The amount of perturbation is proportional to the external potential and the square of the ratio of debye length in the liquid to the particle radius. Previous modeling has shown how surface charge affects the uptake coefficient of charged aerosols. This effect is now included in the heterogeneous reaction rate of an aerosol ensemble. Extension of this analysis to ice particles will be discussed and examples presented.
RECOMBINATION RATE COEFFICIENTS OF Be-LIKE Si
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.
Ottink, Marco; Brunskog, Jonas; Jeong, Cheol-Ho; Fernandez-Grande, Efren; Trojgaard, Per; Tiana-Roig, Elisabet
2016-01-01
Absorption coefficients are mostly measured in reverberation rooms or with impedance tubes. Since these methods are only suitable for measuring the random incidence and the normal incidence absorption coefficient, there exists an increasing need for absorption coefficient measurement of finite absorbers at oblique incidence in situ. Due to the edge diffraction effect, oblique incidence methods considering an infinite sample fail to measure the absorption coefficient at large incidence angles of finite samples. This paper aims for the development of a measurement method that accounts for the finiteness of the absorber. A sound field model, which accounts for scattering from the finite absorber edges, assuming plane wave incidence is derived. A significant influence of the finiteness on the radiation impedance and the corresponding absorption coefficient is found. A finite surface method, which combines microphone array measurements over a finite sample with the sound field model in an inverse manner, is proposed. Besides, a temporal subtraction method, a microphone array method, impedance tube measurements, and an equivalent fluid model are used for validation. The finite surface method gives promising agreement with theory, especially at near grazing incidence. Thus, the finite surface method is proposed for further measurements at large incidence angles. PMID:26827003
ROVIBRATIONAL QUENCHING RATE COEFFICIENTS OF HD IN COLLISIONS WITH He
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.
NASA Astrophysics Data System (ADS)
Liu, Qiang; Huang, Hong-Hua; Wang, Yao; Wang, Gui-Shi; Cao, Zhen-Song; Liu, Kun; Chen, Wei-Dong; Gao, Xiao-Ming
2014-06-01
The atmospheric aerosol absorption capacity is a critical parameter determining its direct and indirect effects on climate. Accurate measurement is highly desired for the study of the radiative budget of the Earth. A multi-wavelength (405 nm, 532 nm, 780 nm) aerosol absorption meter based on photoacoustic spectroscopy (PAS) invovling a single cylindrical acoustic resonator is developed for measuring the aerosol optical absorption coefficients (OACs). A sensitivity of 1.3 Mm-1 (at 532 nm) is demonstrated. The aerosol absorption meter is successfully tested through measuring the OACs of atmospheric nigrosin and ambient aerosols in the suburbs of Hefei city. The absorption cross section and absorption Ångström exponent (AAE) for ambient aerosol are determined for characterizing the component of the ambient aerosol.
Minority carrier diffusion lengths and absorption coefficients in silicon sheet material
NASA Technical Reports Server (NTRS)
Dumas, K. A.; Swimm, R. T.
1980-01-01
Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.
NASA Astrophysics Data System (ADS)
Riedel, D.; Castex, M. C.
First measurements of effective absorption coefficient and penetration depth are given here from the ablation of poly-methylmethacrylate (PMMA) and poly-tetrafluoroethylene (PTFE) samples at 125 nm ( 10 eV). The coherent VUV source used which provides smooth, efficient and clean etched areas, is briefly described. Experimental curves of etch depth as a function of the number of laser shots and etch rate as a function of energy density are obtained and compared with previous works performed at 157 nm (F2 laser) and 193 nm (ArF laser). Experimental results are described with a Beer-Lambert absorption law and discussed.
The absorption coefficient of the liquid N2 2.15-micron band and application to Triton
NASA Technical Reports Server (NTRS)
Grundy, William M.; Fink, Uwe
1991-01-01
The present measurements of the temperature dependence exhibited by the liquid N2 2.15-micron 2-0 collision-induced band's absorption coefficient and integrated absorption show the latter to be smaller than that of the N2 gas, and to decrease with decreasing temperature. Extrapolating this behavior to Triton's nominal surface temperature yields a new estimate of the N2-ice grain size on the Triton south polar cap; a mean N2 grain size of 0.7-3.0 cm is consistent with grain growth rate calculation results.
Study of the absorption coefficient of alpha particles to lower hybrid waves in tokamak
Wang, Jianbing Zhang, Xianmei Yu, Limin Zhao, Xiang
2014-02-12
Part of the energy of the Lower Hybrid (LH) waves may be absorbed by the α particles via the so-called perpendicular landau damping mechanism, which depends on various parameters of fusion reactors and the LH waves. In this article, we calculate the absorption coefficient γ{sub α} of LH waves due to α particles. Results show that, the γ{sub α} increases with the parallel refraction index n{sub ∥} while deceases with increasing the frequency of LH waves ω{sub LH} over a wide range. Higher background plasma temperature and toroidal magnetic field will increase the absorption, and there is a peak value of γ{sub α} when n{sub e}≈8×10{sup 19}m{sup −3} for ITER-like scenario. The thermal corrections to the cold plasma dispersion relation will change the damping rate to a certain extent under some specific conditions. We have also evaluated the fraction of LH power absorbed by the alpha particles, η ≈ 0.47% and 4.1% for an LH frequency of 5 GHz and 3.7 GHz respectively for ITER-like scenario. This work gives the effective reference for the choice of parameters of future fusion reactors.
Measurement of the absorption coefficient of scattering liquid media by the calorimetric method
NASA Astrophysics Data System (ADS)
Butenin, A. V.; Kogan, B. Ya.
2012-02-01
Using the example of a number of hydrosols (gold nanorods and nanoshells, silver nanoshells, zinc phthalocyanine nanoparticles), we show that the absorption coefficient of a scattering liquid medium can be measured from its heating by a short-time laser irradiation. The degree of heating was determined from expansion of the liquid in an ampoule with a capillary (the principle of liquid thermometer). Irradiation was performed at a wavelength of 671 or 1069 nm. From the transmission of samples of hydrosols at these wave-lengths, the sum of the absorption and scattering coefficients has been determined. To measure the absorption spectra of scattering liquids by this method, a laser with a tunable radiation wavelength is required. In the case of monodisperse colloidal solutions, the method ensures the measurement of the absorption and scattering cross-section ratio of particles.
NASA Astrophysics Data System (ADS)
Yuan, Zhen; Jiang, Huabei
2006-06-01
We report on experimental demonstration of photoacoustic tomography for reconstructing the optical absorption coefficient images of heterogeneous media. Photoacoustic images are obtained from a series of tissuelike phantom experiments using a finite element-based reconstruction algorithm coupled with a scanning photoacoustic imaging system. The experimental results show that optical absorption images can be quantitatively reconstructed when the photon diffusion model is coupled with the Helmholtz photoacoustic wave equation.
NASA Astrophysics Data System (ADS)
Ladhaf, Bibifatima M.; Pawar, Pravina P.
2015-04-01
We measured here the mass attenuation coefficients (μ/ρ) of carbohydrates, Esculine (C15H16O9), Sucrose (C12H22O11), Sorbitol (C6H14O6), D-Galactose (C6H12O6), Inositol (C6H12O6), D-Xylose (C5H10O5) covering the energy range from 122 keV up to 1330 keV photon energies by using gamma ray transmission method in a narrow beam good geometry set-up. The gamma-rays were detected using NaI(Tl) scintillation detection system with a resolution of 8.2% at 662 keV. The attenuation coefficient data were then used to obtain the total attenuation cross-section (σtot), molar extinction coefficients (ε), mass-energy absorption coefficients (μen/ρ) and effective (average) atomic energy-absorption cross section (σa,en) of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.
Liu, Qiang; Niu, Ming-Sheng; Wang, Gui-Shi; Cao, Zhen-Song; Liu, Kun; Chen, Wei-Dong; Gao, Xiao-Ming
2013-07-01
In the present paper, the authors focus on the effect of the resonance frequency shift due to the changes in temperature and humidity on the PA signal, present several methods to control the noise derived form gas flow and vibration from the sampling pump. Based on the efforts mentioned above, a detection limit of 1.4 x 10(-8) W x cm(-1) x Hz(-1/2) was achieved for the measurement of atmospheric aerosols absorption coefficient. During the experiments, the PA cell was calibrated with the absorption of standard NO2 gas at 532 nm and the atmospheric aerosols were measured continuously. The measurement results show that the PAS is suitable for the real-time measurement of the absorption coefficient of atmospheric aerosols in their natural suspended state. PMID:24059163
NASA Astrophysics Data System (ADS)
Utry, N.; Ajtai, T.; Pintér, M.; Tombácz, E.; Illés, E.; Bozóki, Z.; Szabó, G.
2014-09-01
Mass specific optical absorption coefficients of various mineral dust components including silicate clays (illite, kaolin and bentonite), oxides (quartz, hematite and rutile), and carbonate (limestone) were determined at wavelengths of 1064, 532, 355 and 266 nm. These values were calculated from aerosol optical absorption coefficients measured by a multi-wavelength photoacoustic (PA) instrument, the mass concentration and the number size distribution of the generated aerosol samples as well as the size transfer functions of the measuring instruments. These results are expected to have considerable importance in global radiative forcing calculations. They can also serve as reference for validating calculated wavelength dependent imaginary parts (κ) of complex refractive indices which up to now have been typically deduced from bulk phase measurements by using indirect measurement methods. Accordingly, the presented comparison of the measured and calculated aerosol optical absorption spectra revealed the strong need for standardized sample preparation and measurement methodology in case of bulk phase measurements.
Fusion Reaction Rate Coefficient for Different Beam and Target Scenarios
NASA Astrophysics Data System (ADS)
Ou, Wei; Zeng, Xian-Jun; Deng, Bai-Quan; Gou, Fu-Jun
2015-02-01
Fusion power output is proportional not only to the fuel particle number densities participating in reaction but also to the fusion reaction rate coefficient (or reactivity), which is dependent on reactant velocity distribution functions. They are usually assumed to be dual Maxwellian distribution functions with the same temperature for thermal nuclear fusion circumstances. However, if high power neutral beam injection and minority ion species ICRF plasma heating, or multi-pinched plasma beam head-on collision, in a converging region are required and investigated in future large scale fusion reactors, then the fractions of the injected energetic fast ion tail resulting from ionization or charge exchange will be large enough and their contribution to the non-Maxwellian distribution functions is not negligible, hence to the fusion reaction rate coefficient or calculation of fusion power. In such cases, beam-target, and beam-beam reaction enhancement effect contributions should play very important roles. In this paper, several useful formulae to calculate the fusion reaction rate coefficient for different beam and target combination scenarios are derived in detail.
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.
Carlon, H R
1980-04-01
Mass extinction coefficients of soil-derived atmospheric dusts often are determined largely by the absorption (rather than scattering) by individual particles, especially at longer IR wavelengths. Under many conditions, reasonable estimates of mass extinction coefficients of dusts can be made from absorption coefficients without the need for detailed knowledge of particle optical constants to perform, e.g., Mie calculations. This paper discusses absorption coefficients of dusts in the visible and IR wavelengths and the physical mechanisms of dust aerosol generation determining that portion of extinction attributable to absorption in a given dust cloud. Some soils, especially clays, can produce dust clouds that are almost pure. absorbers at longer IR wavelengths.
Carlon, H R
1980-03-01
Mass extinction coefficients of soil-derived atmospheric dusts often are determined largely by the absorption (rather than scattering) by individual particles, especially at longer IR wavelengths. Under many conditions, reasonable estimates of mass extinction coefficients of dusts can be made from absorption coefficients without the need for detailed knowledge of particle optical constants to perform, e.g., Mie calculations. This paper discusses absorption coefficients of dusts in the visible and IR wavelengths and the physical mechanisms of dust aerosol generation determining that portion of extinction attributable to absorption in a given dust cloud. Some soils, especially clays, can produce dust clouds that are almost pure absorbers at longer IR wavelengths.
NASA Astrophysics Data System (ADS)
Brochu, Frederic M.; Joseph, James; Tomaszewski, Michal; Bohndiek, Sarah E.
2015-07-01
MultiSpectral Optoacoustic Tomography (MSOT) is a fast developing imaging modality, combining the high resolution and penetration depth of ultrasound with the excellent contrast from optical imaging of tissue. Absorption and scattering of the near infrared excitation light modulates the spectral profile of light as it propagates deep into biological tissue, meaning the images obtained provide only qualitative insight into the distribution of tissue chromophores. The goal of this work is to accurately recover the spectral profile of excitation light by modelling light fluence in the data reconstruction, to enable quantitative imaging. We worked with a commercial small animal MSOT scanner and developed our light fluence correction for its' cylindrical geometry. Optoacoustic image reconstruction pinpoints the sources of acoustic waves detected by the transducers and returns the initial pressure amplitude at these points. This pressure is the product of the dimensionless Grüneisen parameter, the absorption coefficient and the light fluence. Under the condition of constant Grüneisen parameter and well modelled light fluence, there is a linear relationship between the initial pressure amplitude measured in the optoacoustic image and the absorption coefficient. We were able to reproduce this linear relationship in different physical regions of an agarose gel phantom containing targets of known optical absorption coefficient, demonstrating that our light fluence model was working. We also demonstrate promising results of light fluence correction effects on in vivo data.
NASA Astrophysics Data System (ADS)
Wichmann, Janine; Janssen, Nicole A. H.; van der Zee, Saskia; Brunekreef, Bert
Population studies indicate that study participants living near major roads are more prone to chronic respiratory symptoms, lung function decrements and hospital admissions for asthma. The majority of the studies used proxy measures, such as distance to major roads or traffic intensity in the surroundings of the home. Few studies have communicated findings of concurrently performed measurements of outdoor, indoor and personal air pollution in urban streets with high- and low-traffic density. Measuring light absorption or reflectance of particulate matter (PM) collected on filters is an alternative method to determine elemental carbon, a marker for particles produced by incomplete combustion, compared to expensive and destructive analytical methods. This study sets out to test the null hypothesis that there is no difference in personal and indoor filter absorption coefficients for participants living along busy and quiet roads in Amsterdam. In one study we measured personal and indoor absorption coefficients in a sample of adults (50-70 years) and, in another study, the indoor levels in a population of adults (50-70 years) and school children (10-12 years). In the first study, the ratios of personal and indoor absorption coefficients in homes along busy roads compared with homes on quiet streets were significantly higher by 29% for personal measurements ( n=16 days, p<0.001), and by 19% for indoor measurements ( n=20, p<0.001), while in the second study, the ratio for the indoor measurements was higher by 26% ( n=25 days, p<0.05). Exposure differences between homes along busy compared to homes along quiet streets remained and significant after adjustment for potential indoor sources (such as cooking and use of unvented heating appliances). This study therefore provides tentative support for the use of the type of road as proxy measure for indoor and personal absorption coefficient measurements in epidemiological studies due to the limitations of the study.
NASA Astrophysics Data System (ADS)
Yoshida, Kenichiro
2016-08-01
We derived the absorption coefficient ( μ a) and the reduced scattering coefficient ( μ s') using the edge-loss method (ELM) and the video reflectometry method (VRM), and compared the results. In a previous study, we developed the ELM to easily evaluate the lateral spread in the skin; the VRM is a conventional method. The ELM measures the translucency index, which is correlated with μ a and μ s'. To obtain a precise estimation of these parameters, we improved the treatment of a white standard and the surface reflection. For both skin phantoms and actual skin, the values for μ a and μ s' that we obtained using the ELM were similar to those obtained using the VRM, when μ a/ μ s' was less than or equal to 0.05 and the diffusion approximation was applicable. Under this condition, the spectral reflectivity is greater than 0.4. In this study, we considered wavelengths longer than 600 nm for Types III and IV of the Fitzpatrick scale. For skin, the repeatability errors of the parameters obtained with the ELM were smaller than those obtained with the VRM; this can be an advantage in field tests.
A new photoacoustic method based on the modulation of the light induced absorption coefficient
NASA Astrophysics Data System (ADS)
Engel, S.; Wenisch, C.; Müller, F. A.; Gräf, S.
2016-04-01
The present study reports on a new photoacoustic (PA) measurement method that is suitable for the investigation of light induced absorption effects including e.g. excited state absorption. Contrary to the modulation of the radiation intensity used in conventional PA-methods, the key principle of this novel setup is based on the modulation of the induced absorption coefficient by light. For this purpose, a pump-probe setup with a pulsed pump laser beam and a continuous probe laser beam is utilized. In this regime, the potential influence of heat on the PA-signal is much smaller when compared to arrangements with pulsed probe beam and continuous pump beam. Beyond that, the negative effect of thermal lenses can be neglected. Thus, the measurement technique is well-suited for materials exhibiting a strong absorption at the pump wavelength. The quantitative analysis of the induced absorption coefficient was achieved by the calibration of the additional PA-signal caused by the continuous probe laser to the PA-signal resulting from the pulsed pump laser using thallium bromoiodide (KRS-5) as sample material.
Measurement of the absorption rate of carbon dioxide into aqueous diethanolamine
Rowley, R.L.; Adams, M.E.; Marshall, T.L.; Oscarson, J.L.; Wilding, W.V.; Anderson, D.J.
1998-05-01
Aqueous alkanolamine solutions are commonly used in natural gas sweetening processes to remove the acid gases CO{sub 2} and H{sub 2}S. Absorption rates of gaseous CO{sub 2} into aqueous diethanolamine (DEA) solutions were measured in a quiescent, inverted-tube diffusiometer by monitoring the rate of pressure drop. The absorption rate was found to be insensitive to the diffusion coefficient of CO{sub 2} in solution but very sensitive to the diffusion rate of bicarbonate, protonated DEA, and carbamate ions. Evidence also suggested that chemical reaction equilibrium is rapid relative to diffusion. The diffusion coefficient of DEA in water was also measured using a Taylor dispersion apparatus. A numerical model was developed and used to regress diffusion coefficients of bicarbonate, carbamate, and protonated amine from measured absorption rates. CO{sub 2} absorption rates and diffusion coefficients of bicarbonate, carbamate, and protonated DEA were obtained at 298.2 K and 318.2 K in solutions containing 20, 35, and 50 mass % DEA in water.
Absorption coefficients of GeSn extracted from PIN photodetector response
NASA Astrophysics Data System (ADS)
Ye, Kaiheng; Zhang, Wogong; Oehme, Michael; Schmid, Marc; Gollhofer, Martin; Kostecki, Konrad; Widmann, Daniel; Körner, Roman; Kasper, Erich; Schulze, Jörg
2015-08-01
In this paper the optical absorption of the GeSn PIN photodetector was investigated. The vertical GeSn PIN photodetectors were fabricated by molecular beam epitaxy (MBE) and dry etching. By means of current density-voltage (J-V) and capacity-voltage (C-V) measurements the photodetector device was characterized. The absorption coefficients of GeSn material were finally extracted from the optical response of PIN structure. With further direct bandgap analysis the influences of device structure was proved negligible.
Ren, Yatao; Qi, Hong; Zhao, Fangzhou; Ruan, Liming; Tan, Heping
2016-01-01
A secondary optimization technique was proposed to estimate the temperature-dependent thermal conductivity and absorption coefficient. In the proposed method, the stochastic particle swarm optimization was applied to solve the inverse problem. The coupled radiation and conduction problem was solved in a 1D absorbing, emitting, but non-scattering slab exposed to a pulse laser. It is found that in the coupled radiation and conduction problem, the temperature response is highly sensitive to conductivity but slightly sensitive to the optical properties. On the contrary, the radiative intensity is highly sensitive to optical properties but slightly sensitive to thermal conductivity. Therefore, the optical and thermal signals should both be considered in the inverse problem to estimate the temperature-dependent properties of the transparent media. On this basis, the temperature-dependent thermal conductivity and absorption coefficient were both estimated accurately by measuring the time-dependent temperature, and radiative response at the boundary of the slab. PMID:26912418
Index of Refraction and Absorption Coefficient Spectra of Paratellurite in the Terahertz Region
NASA Astrophysics Data System (ADS)
Unferdorben, Márta; Buzády, Andrea; Hebling, János; Kiss, Krisztián; Hajdara, Ivett; Kovács, László; Péter, Ágnes; Pálfalvi, László
2016-07-01
Index of refraction and absorption coefficient spectra of pure paratellurite (α-TeO2) crystal as a potential material for terahertz (THz) applications were determined in the 0.25-2 THz frequency range at room temperature by THz time domain spectroscopy (THz-TDS). The investigation was performed with beam polarization both parallel (extraordinary polarization) and perpendicular (ordinary polarization) to the optical axis [001] of the crystal. Similarly to the visible spectral range, positive birefringence was observed in the THz range as well. It was shown that the values of the refractive index for extraordinary polarization are higher and show significantly larger dispersion than for the ordinary one. The absorption coefficient values are also larger for extraordinary polarization. The measured values were fitted by theoretical curves derived from the complex dielectric function containing independent terms of Lorentz oscillators due to phonon-polariton resonances. The results are compared with earlier publications, and the observed significant discrepancies are discussed.
Measurement and calculation of the sound absorption coefficient of pine wood charcoal
NASA Astrophysics Data System (ADS)
Suh, Jae Gap; Baik, Kyung min; Kim, Yong Tae; Jung, Sung Soo
2013-10-01
Although charcoal has been widely utilized for physical therapy and as a deodorant, water purifier, etc. due to its porous features, research on its role as a sound-absorbing material is rarely found. Thus, the sound absorption coefficients of pine wood charcoal were measured using an impedance tube and were compared with the theoretical predictions in the frequency range of 500˜ 5000 Hz. The theory developed in the current study only considers the lowest possible mode propagating along the air channels of the charcoal and shows good agreements with the measurements. As the frequency is increased, the sound absorption coefficients of pine wood charcoals also increase, but are lower than those of other commonly-used sound-absorbing materials.
NASA Astrophysics Data System (ADS)
Salazar, Agustín; Fuente, Raquel; Apiñaniz, Estibaliz; Mendioroz, Arantza; Celorrio, R.
2011-08-01
The aim of this work is to analyze the ability of modulated photothermal radiometry to retrieve the thermal diffusivity and the optical absorption coefficient of layered materials simultaneously. First, we extend the thermal quadrupole method to calculate the surface temperature of semitransparent multilayered materials. Then, this matrix method is used to evaluate the influence of heat losses by convection and radiation, the influence of the use of thin paint layers on the accuracy of thermal diffusivity measurements, and the effect of lateral heat diffusion due to the use of Gaussian laser beams. Finally, we apply the quadrupole method to retrieve (a) the thermal contact resistance in glass stacks and (b) the thermal diffusivity and optical absorption coefficient depth profiles in heterogeneous materials with continuously varying physical properties, as is the case of functionally graded materials and partially cured dental resins.
Sadler, M.; Charlson, R.J.; Rosen, H.; Novakov, T.
1980-07-01
The absorption coefficients determined by the integrating plate method and the laser transmission method are found to be comparable and highly correlated. Furthermore, a high correlation is found between these absorption coefficients and the carbon content of the aerosol in urbanized regions.
Water vapor absorption coefficients in the 8-13-micron spectral region - A critical review
NASA Technical Reports Server (NTRS)
Grant, William B.
1990-01-01
Measurements of water vapor absorption coefficients in the thermal IR atmospheric window (8-13 microns) during the past 20 years obtained by a variety of techniques are reviewed for consistency and compared with computed values based on the AFGL spectral data tapes. The methods of data collection considered were atmospheric long path absorption with a CO2 laser or a broadband source and filters, a White cell and a CO2 laser or a broadband source and a spectrometer, and a spectrophone with a CO2 laser. Advantages and disadvantages of each measurement approach are given as a guide to further research. Continuum absorption has apparently been measured accurately to about the 5-10 percent level in five of the measurements reported.
Khalifah, Peter
2015-02-01
The problem of numerically evaluating absorption correction factors for cylindrical samples has been revisited using a treatment that fully takes advantage of the sample symmetry. It is shown that the path lengths for all points within the sample at all possible diffraction angles can be trivially determined once the angle-dependent distance distribution for a single line of points is calculated. This provides advantages in both computational efficiency and in gaining an intuitive understanding of the effects of absorption on diffraction data. A matrix of absorption coefficients calculated for µR products between 0 and 20 for diffraction angles θD of 0°more » to 90° were used to examine the influence of (1) capillary diameter and of (2) sample density on the overall scattered intensity as a function of diffraction angle, where µ is the linear absorption coefficient for the sample and R is the capillary radius. Based on this analysis, the optimal sample loading for a capillary experiment to maximize diffraction at angles of 0 – 50° is in general expected to be achieved when the maximum radius capillary compatible with the beam is used, and when the sample density is adjusted to be 3/(4µR) of its original density.« less
Khalifah, Peter
2015-01-30
The problem of numerically evaluating absorption correction factors for cylindrical samples has been revisited using a treatment that fully takes advantage of the sample symmetry. It is shown that the path lengths for all points within the sample at all possible diffraction angles can be trivially determined once the angle-dependent distance distribution for a single line of points is calculated. This provides advantages both in computational efficiency and in gaining an intuitive understanding of the effects of absorption on the diffraction data. A matrix of absorption coefficients calculated for μ
Khalifah, Peter
2015-02-01
The problem of numerically evaluating absorption correction factors for cylindrical samples has been revisited using a treatment that fully takes advantage of the sample symmetry. It is shown that the path lengths for all points within the sample at all possible diffraction angles can be trivially determined once the angle-dependent distance distribution for a single line of points is calculated. This provides advantages in both computational efficiency and in gaining an intuitive understanding of the effects of absorption on diffraction data. A matrix of absorption coefficients calculated for µR products between 0 and 20 for diffraction angles θ_{D} of 0° to 90° were used to examine the influence of (1) capillary diameter and of (2) sample density on the overall scattered intensity as a function of diffraction angle, where µ is the linear absorption coefficient for the sample and R is the capillary radius. Based on this analysis, the optimal sample loading for a capillary experiment to maximize diffraction at angles of 0 – 50° is in general expected to be achieved when the maximum radius capillary compatible with the beam is used, and when the sample density is adjusted to be 3/(4µR) of its original density.
Keller, M.; Bostater, C.
1997-06-01
A portable, long path length (50 cm), flow through, absorption tube system is utilized to obtain in-situ specific absorption coefficients from various water environments consisting of both clear and turbid water conditions from an underway ship or vessel. The high spectral resolution absorption signatures can be obtained and correlated with measured water quality parameters along a ship track. The long path cuvette system is capable of measuring important water quality parameters such as chlorophyll-a, seston or total suspended matter, tannins, humics, fulvic acids, or dissolved organic matter (dissolved organic carbon, DOC). The various concentrations of these substances can be determined and correlated with laboratory measurements using the double inflection ratio (DIR) of the spectra based upon derivative spectroscopy. The DIR is determined for all of the possible combinations of the bands ranging from 362-1115 nm using 252 channels, as described previously by Bostater. The information gathered from this system can be utilized in conjunction with hyperspectral imagery that allows one to relate reflectance and absorption to water quality of a particular environment. A comparison is made between absorption signatures and reflectance obtained from the Banana River, Florida.
Extended Simulations of Graphene Growth with Updated Rate Coefficients
Whitesides, R; You, X; Frenklach, M
2010-03-18
New simulations of graphene growth in flame environments are presented. The simulations employ a kinetic Monte Carlo (KMC) algorithm coupled to molecular mechanics (MM) geometry optimization to track individual graphenic species as they evolve. Focus is given to incorporation of five-member rings and resulting curvature and edge defects. The model code has been re-written to be more computationally efficient enabling a larger set of simulations to be run, decreasing stochastic fluctuations in the averaged results. The model also includes updated rate coefficients for graphene edge reactions recently published in the literature. The new simulations are compared to results from the previous model as well as to hydrogen to carbon ratios recorded in experiment and calculated with alternate models.
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.
Microwave Resonator Measurements of Atmospheric Absorption Coefficients: A Preliminary Design Study
NASA Technical Reports Server (NTRS)
Walter, Steven J.; Spilker, Thomas R.
1995-01-01
A preliminary design study examined the feasibility of using microwave resonator measurements to improve the accuracy of atmospheric absorption coefficients and refractivity between 18 and 35 GHz. Increased accuracies would improve the capability of water vapor radiometers to correct for radio signal delays caused by Earth's atmosphere. Calibration of delays incurred by radio signals traversing the atmosphere has applications to both deep space tracking and planetary radio science experiments. Currently, the Cassini gravity wave search requires 0.8-1.0% absorption coefficient accuracy. This study examined current atmospheric absorption models and estimated that current model accuracy ranges from 5% to 7%. The refractivity of water vapor is known to 1% accuracy, while the refractivity of many dry gases (oxygen, nitrogen, etc.) are known to better than 0.1%. Improvements to the current generation of models will require that both the functional form and absolute absorption of the water vapor spectrum be calibrated and validated. Several laboratory techniques for measuring atmospheric absorption and refractivity were investigated, including absorption cells, single and multimode rectangular cavity resonators, and Fabry-Perot resonators. Semi-confocal Fabry-Perot resonators were shown to provide the most cost-effective and accurate method of measuring atmospheric gas refractivity. The need for accurate environmental measurement and control was also addressed. A preliminary design for the environmental control and measurement system was developed to aid in identifying significant design issues. The analysis indicated that overall measurement accuracy will be limited by measurement errors and imprecise control of the gas sample's thermodynamic state, thermal expansion and vibration- induced deformation of the resonator structure, and electronic measurement error. The central problem is to identify systematic errors because random errors can be reduced by averaging
Parker, K; Morrison, G
2016-08-01
Occupants of former methamphetamine laboratories, often residences, may experience increased exposure through the accumulation of the methamphetamine in the organic films that coat skin and indoor surfaces. The objectives of this study were to determine equilibrium partition coefficients of vapor-phase methamphetamine with artificial sebum (AS-1), artificial sebum without fatty acids (AS-2), and real skin surface films, herein called skin oils. Sebum and skin oil-coated filters were exposed to vapor-phase methamphetamine at concentrations ranging from 8 to 159 ppb, and samples were analyzed for exposure time periods from 2 h to 60 days. For a low vapor-phase methamphetamine concentration range of ~8-22 ppb, the equilibrium partition coefficient for AS-1 was 1500 ± 195 μg/g/ppb. For a high concentration range of 98-112 ppb, the partition coefficient was lower, 459 ± 80 μg/g/ppb, suggesting saturation of the available absorption capacity. The low partition coefficient for AS-2 (33 ± 6 μg/g/ppb) suggests that the fatty acids in AS-1 and skin oil are responsible for much high partition coefficients. We predict that the methamphetamine concentration in skin lipids coating indoor surfaces can exceed recommended surface remediation standards even for air concentrations well below 1 ppb.
Spectroscopic method for determination of the absorption coefficient in brain tissue.
Johansson, Johannes D
2010-01-01
I use Monte Carlo simulations and phantom measurements to characterize a probe with adjacent optical fibres for diffuse reflectance spectroscopy during stereotactic surgery in the brain. Simulations and measurements have been fitted to a modified Beer-Lambert model for light transport in order to be able to quantify chromophore content based on clinically measured spectra in brain tissue. It was found that it is important to take the impact of the light absorption into account when calculating the apparent optical path length, lp, for the photons in order to get good estimates of the absorption coefficient, μa. The optical path length was found to be well fitted to the equation lp=a+b ln(Is)+c ln(μa)+d ln(Is)ln(μa), where Is is the reflected light intensity for scattering alone (i.e., zero absorption). Although coefficients a-d calculated in this study are specific to the probe used here, the general form of the equation should be applicable to similar probes.
Wu, Xiaojun; Zhou, Chun; Huang, Wenqian Ronny; Ahr, Frederike; Kärtner, Franz X
2015-11-16
Optical rectification with tilted pulse fronts in lithium niobate crystals is one of the most promising methods to generate terahertz (THz) radiation. In order to achieve higher optical-to-THz energy efficiency, it is necessary to cryogenically cool the crystal not only to decrease the linear phonon absorption for the generated THz wave but also to lengthen the effective interaction length between infrared pump pulses and THz waves. However, the refractive index of lithium niobate crystal at lower temperature is not the same as that at room temperature, resulting in the necessity to re-optimize or even re-build the tilted pulse front setup. Here, we performed a temperature dependent measurement of refractive index and absorption coefficient on a 6.0 mol% MgO-doped congruent lithium niobate wafer by using a THz time-domain spectrometer (THz-TDS). When the crystal temperature was decreased from 300 K to 50 K, the refractive index of the crystal in the extraordinary polarization decreased from 5.05 to 4.88 at 0.4 THz, resulting in ~1° change for the tilt angle inside the lithium niobate crystal. The angle of incidence on the grating for the tilted pulse front setup at 1030 nm with demagnification factor of -0.5 needs to be changed by 3°. The absorption coefficient decreased by 60% at 0.4 THz. These results are crucial for designing an optimum tilted pulse front setup based on lithium niobate crystals.
Sound absorption coefficient in situ: an alternative for estimating soil loss factors.
Freire, Rosane; Meletti de Abreu, Marco Henrique; Okada, Rafael Yuri; Soares, Paulo Fernando; GranhenTavares, Célia Regina
2015-01-01
The relationship between the sound absorption coefficient and factors of the Universal Soil Loss Equation (USLE) was determined in a section of the Maringá Stream basin, Paraná State, by using erosion plots. In the field, four erosion plots were built on a reduced scale, with dimensions of 2.0×12.5m. With respect to plot coverage, one was kept with bare soil and the others contained forage grass (Brachiaria), corn and wheat crops, respectively. Planting was performed without any type of conservation practice in an area with a 9% slope. A sedimentation tank was placed at the end of each plot to collect the material transported. For the acoustic system, pink noise was used in the measurement of the proposed monitoring, for collecting information on incident and reflected sound pressure levels. In general, obtained values of soil loss confirmed that 94.3% of material exported to the basin water came from the bare soil plot, 2.8% from the corn plot, 1.8% from the wheat plot, and 1.1% from the forage grass plot. With respect to the acoustic monitoring, results indicated that at 16kHz erosion plot coverage type had a significant influence on the sound absorption coefficient. High correlation coefficients were found in estimations of the A and C factors of the USLE, confirming that the acoustic technique is feasible for the determination of soil loss directly in the field.
Learning rates of lq coefficient regularization learning with gaussian kernel.
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.
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.
Yuan, Zhen; Wang, Qiang; Jiang, Huabei
2007-12-24
We describe a novel reconstruction method that allows for quantitative recovery of optical absorption coefficient maps of heterogeneous media using tomographic photoacoustic measurements. Images of optical absorption coefficient are obtained from a diffusion equation based regularized Newton method where the absorbed energy density distribution from conventional photoacoustic tomography serves as the measured field data. We experimentally demonstrate this new method using tissue-mimicking phantom measurements and simulations. The reconstruction results show that the optical absorption coefficient images obtained are quantitative in terms of the shape, size, location and optical property values of the heterogeneities examined.
Datsyuk, Vitaly V.; Juodkazis, Saulius; Misawa, Hiroaki
2005-08-15
The rate of spontaneous electromagnetic emission in a cavity is the normalized output radiation rate in the classical electrodynamics and the Einstein A coefficient in a quantum theory. We reveal the difference and similarity between the quantum and classical rates by calculations of the relative output power of the resonant spontaneous electric-dipole emission as a function of light absorption in a high-Q cavity. We show that the relative resonant output power is equal to the relative width of a morphology-dependent resonance in the spectral dependence of the Einstein A coefficient. The validity of the theory is demonstrated by numerical verification of an experimental result on a microsphere.
NASA Astrophysics Data System (ADS)
Yáñez M., J.
2011-10-01
Diabetes is a disease with no cure, but can be controlled to improve the quality of life of sufferers. Currently there are means to control, but this means they have the disadvantage that in order to measure the amount of glucose is necessary to take blood samples that are painful. This paper presents a system for measuring glucose using non-invasive optical techniques: using absorption spectroscopy and polarimetry technique. It shows the results obtained from experiments done on samples containing distilled water and different amounts of glucose to study the absorption coefficient of glucose with both techniques. Water is used because it is one of the main elements in the blood and interferes with glucose measurement. This experiment will develop a prototype to measure glucose through a non-invasive technique.
Uzhegov, V.N.; Kozlov, V.S.; Panchenko, M.V.; Pkhalagov, Yu.A.; Pol'kin, V.V.; Terpugova, S.A.; Shmargunov, V.P.; Yausheva, E.P.
2005-03-18
The problem of the choice of the aerosol optical constants and, in particular, imaginary part of the refractive index of particles in visible and infrared (IR) wavelength ranges is very important for calculation of the global albedo of the atmosphere in climatic models. The available models of the aerosol optical constants obtained for the prescribed chemical composition of particles (see, for example, Ivlev et al. 1973; Ivlev 1982; Volz 1972), often are far from real aerosol. It is shown in (Krekov et al. 1982) that model estimates of the optical characteristics of the atmosphere depending on the correctness of real and imaginary parts of the aerosol complex refractive index can differ by some hundreds percent. It is known that the aerosol extinction coefficient {alpha}({lambda}) obtained from measurements on a long horizontal path can be represented as {alpha}({lambda})={sigma}({lambda})+{beta}({lambda}), where {sigma} is the directed light scattering coefficient, and {beta} is the aerosol absorption coefficient. The coefficient {sigma}({lambda}) is measured by means of a nephelometer. Seemingly, if measure the values {alpha}({lambda}) and {sigma}({lambda}), it is easy to determine the value {beta}({lambda}). However, in practice it is almost impossible for a number of reasons. Firstly, the real values {alpha}({lambda}) and {sigma}({lambda}) are very close to each other, and the estimate of the parameter {beta}({lambda}) is concealed by the errors of measurements. Secondly, the aerosol optical characteristics on the long path and in the local volume of nephelometer can be different, that also leads to the errors in estimating {beta}({lambda}). Besides, there are serious difficulties in performing spectral measurements of {sigma}({lambda}) in infrared wavelength range. Taking into account these circumstances, in this paper we consider the statistical technique, which makes it possible to estimate the absorption coefficient of real aerosol on the basis of analysis
Pelivanov, Ivan M; Barskaya, M I; Podymova, N B; Khokhlova, Tanya D; Karabutov, Aleksander A
2009-09-30
The second part of this work describes the experimental technique of measuring the local light absorption in turbid media. The technique is based on the measurement of the amplitude of an opto-acoustic (OA) signal excited in a turbid medium under the condition of one-sided access to the object under study. An OA transducer is developed to perform the proposed measurement procedure. Experiments are conducted for the turbid media with different optical properties (light absorption and reduced scattering coefficients) and for different diameters of the incident laser beam. It is found that the laser beam diameter can be chosen so that the dependences of the measured OA signal amplitude on the light absorption coefficient coincide upon varying the reduced scattering coefficient by more than twice. The obtained numerical and experimental results demonstrate that the OA method is applicable for measuring the local light absorption coefficient in turbid media, for example, in biological tissues. (measurement of parametrs of laser radiation)
Stopping-power and mass energy-absorption coefficient ratios for Solid Water.
Ho, A K; Paliwal, B R
1986-01-01
The AAPM Task Group 21 protocol provides tables of ratios of average restricted stopping powers and ratios of mean energy-absorption coefficients for different materials. These values were based on the work of Cunningham and Schulz. We have calculated these quantities for Solid Water (manufactured by RMI), using the same x-ray spectra and method as that used by Cunningham and Schulz. These values should be useful to people who are using Solid Water for high-energy photon calibration. PMID:3724702
Determination of Absorption Coefficient of a Solution by a Simple Experimental Setup
NASA Astrophysics Data System (ADS)
Gopalakrishnan, Deepak; Akhildev, C.; Sreenivasan, P. V.; Leelamma, K. K.; Joseph, Lyjo K.; Anila, E. I.
2011-10-01
The absorption coefficients of aqueous potassium permanganate (KMnO4) solution at 638.8 nm for various concentrations are determined using a simple experimental set up. The setup consists of He-Ne laser source (Red, 638.8 nm, 10 mW), a glass jar in which the KMnO4 sample is taken, a mirror strip inclined at 45° to direct the laser beam towards the bottom of the glass jar, a traveling microscope to adjust the position of light dependent resistor (LDR) and a digital multimeter to measure the resistance.
Photolysis Rate Coefficient Calculations in Support of SOLVE Campaign
NASA Technical Reports Server (NTRS)
Lloyd, Steven A.; Swartz, William H.
2001-01-01
The objectives for this SOLVE project were 3-fold. First, we sought to calculate a complete set of photolysis rate coefficients (j-values) for the campaign along the ER-2 and DC-8 flight tracks. En route to this goal, it would be necessary to develop a comprehensive set of input geophysical conditions (e.g., ozone profiles), derived from various climatological, aircraft, and remotely sensed datasets, in order to model the radiative transfer of the atmosphere accurately. These j-values would then need validation by comparison with flux-derived j-value measurements. The second objective was to analyze chemistry along back trajectories using the NASA/Goddard chemistry trajectory model initialized with measurements of trace atmospheric constituents. This modeling effort would provide insight into the completeness of current measurements and the chemistry of Arctic wintertime ozone loss. Finally, we sought to coordinate stellar occultation measurements of ozone (and thus ozone loss) during SOLVE using the Midcourse Space Experiment(MSX)/Ultraviolet and Visible Imagers and Spectrographic Imagers (UVISI) satellite instrument. Such measurements would determine ozone loss during the Arctic polar night and represent the first significant science application of space-based stellar occultation in the Earth's atmosphere.
Photolysis Rate Coefficient Calculations in Support of SOLVE Campaign
NASA Technical Reports Server (NTRS)
Lloyd, Steven A.; Swartz, William H.
2001-01-01
The objectives for this SOLVE project were 3-fold. First, we sought to calculate a complete set of photolysis rate coefficients (j-values) for the campaign along the ER-2 and DC-8 flight tracks. En route to this goal, it would be necessary to develop a comprehensive set of input geophysical conditions (e.g., ozone profiles), derived from various climatological, aircraft, and remotely sensed datasets, in order to model the radiative transfer of the atmosphere accurately. These j-values would then need validation by comparison with flux-derived j-value measurements. The second objective was to analyze chemistry along back trajectories using the NASA/Goddard chemistry trajectory model initialized with measurements of trace atmospheric constituents. This modeling effort would provide insight into the completeness of current measurements and the chemistry of Arctic wintertime ozone loss. Finally, we sought to coordinate stellar occultation measurements of ozone (and thus ozone loss) during SOLVE using the MSX/UVISI satellite instrument. Such measurements would determine ozone loss during the Arctic polar night and represent the first significant science application of space-based stellar occultation in the Earth's atmosphere.
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.
NASA Astrophysics Data System (ADS)
Zamani, N.; Keshavarz, A.; Nadgaran, H.
2016-06-01
In this paper, we investigate the optical absorption coefficient of hybrid structure consisting of metal nano particle (MNP) coupled to multi-layer spherical quantum dot (MSQD). Energy eigenvalues and eigenfunctions of Schrödinger equation in this structure are obtained by using numerical solution (by the fourth-order Runge-Kutta method). The effect of MNP in the vicinity of MSQD is calculated by considering local field theory. Then the variation of optical absorption coefficient hybrid structure is calculated. The results show that the presence of MNP near MSQD enhances the optical absorption coefficient. Also, by changing the distance between MNP and MSQD and radius of MNP, variation of optical absorption coefficient and refractive index changes are introduced.
NASA Technical Reports Server (NTRS)
Harward, C. N.
1977-01-01
Measurements were performed to determine the pressure and temperature dependence of CFM-12 absorption coefficients for CO2 waveguide laser radiation. The absorption coefficients of CFM-12 for CO2 waveguide laser radiation were found to have no spectral structure within small spectral bandwidths around the CO2 waveguide laser lines in the CO2 spectral band for pressures above 20 torr. All of the absorption coefficients for the CO2 laser lines studied are independent of pressure above 100 torr, except for the P(36) laser CO2 spectral band. The absorption coefficients associated with the P(42) line in the same band showed the greatest change with temperature, and it also has the largest value of all the lines studied.
NASA Astrophysics Data System (ADS)
Markushev, D. D.; Ordonez-Miranda, J.; Rabasović, M. D.; Galović, S.; Todorović, D. M.; Bialkowski, S. E.
2015-06-01
The open-cell photoacoustic signal measured in the transmission configuration for aluminum thin plates with thicknesses of 280 μm, 197 μm, and 112 μm is experimentally and theoretically analyzed, in the 20 Hz-7 kHz modulation frequency range. It is shown that the observed differences between the predictions of the standard thermoelastic model and the experiment data of both the amplitude and phase of the photoacoustic signal can be overcome by considering the aluminum samples coated with a thin layer of black paint as volume-absorber materials. This new approach provides a quite good agreement with the obtained experimental data, in the whole frequency range, and yields an effective absorption coefficient of (16 ± 2) mm-1, for a 280 μm-thick sample. The introduction of the finite absorption coefficient led to the correct ratio between the thermal diffusion and thermoelastic components of the photoacoustic signal. Furthermore, it is found that the "volume-absorber" approach accurately describes the behavior of the amplitude, but not that of the phase recorded for a 112 μm-thick sample, due to its relatively strong thermoelastic bending, which is not considered by this theory. Within the approximation of the small bending, the proposed "volume-absorber" model provides a reliable description of the photoacoustic signal for Al samples thicker than 112 μm, and extends the applicability of the classical "opaque" approach.
Hoche, S; Hussein, M A; Becker, T
2015-03-01
The accuracy of density, reflection coefficient, and acoustic impedance determination via multiple reflection method was validated experimentally. The ternary system water-maltose-ethanol was used to execute a systematic, temperature dependent study over a wide range of densities and viscosities aiming an application as inline sensor in beverage industries. The validation results of the presented method and setup show root mean square errors of: 1.201E-3 g cm(-3) (±0.12%) density, 0.515E-3 (0.15%) reflection coefficient and 1.851E+3 kg s(-1) m(-2) (0.12%) specific acoustic impedance. The results of the diffraction corrected absorption showed an average standard deviation of only 0.12%. It was found that the absorption change shows a good correlation to concentration variations and may be useful for laboratory analysis of sufficiently pure liquids. The main part of the observed errors can be explained by the observed noise, temperature variation and the low signal resolution of 50 MHz. In particular, the poor signal-to-noise ratio of the second reflector echo was found to be a main accuracy limitation. Concerning the investigation of liquids the unstable properties of the reference material PMMA, due to hygroscopicity, were identified to be an additional, unpredictable source of uncertainty. While dimensional changes can be considered by adequate methodology, the impact of the time and temperature dependent water absorption on relevant reference properties like the buffer's sound velocity and density could not be considered and may explain part of the observed deviations.
Measuring absorption coefficient of scattering liquids using a tube inside an integrating sphere.
Villanueva, Yolanda; Veenstra, Colin; Steenbergen, Wiendelt
2016-04-10
A method for measuring the absorption coefficient μ_{a} of absorbing and scattering liquid samples is presented. The sample is injected into a small transparent tube mounted through an integrating sphere. Two models for determining the absorption coefficient using the relative optical output signal are described and validated using aqueous ink absorbers of 0.5 vol.% (0.3 mm^{-1}<μ_{a}<1.55 mm^{-1}) and 1.0 vol.% (1.0 mm^{-1}<μ_{a}<4.0 mm^{-1}) concentrations with 1 vol.% (μs'≈1.4 mm^{-1}) and 10 vol.% (μs'≈14 mm^{-1}) Intralipid dilutions. The low concentrations give μ_{a} and μ_{s} values, which are comparable with those of biological tissues. One model assumes a uniform light distribution within the sample, which is valid for low absorption. Another model considers light attenuation that obeys Lambert-Beer's law, which may be used for relatively high absorption. Measurements with low and high scattering samples are done for the wavelength range of 400-900 nm. Measured spectra of purely absorbing samples are within 15% agreement with measurements using standard transmission spectrophotometry. For 0.5 vol.% ink absorbers and at wavelengths below 700 nm, measured μ_{a} values are higher for samples with low scattering and lower for those with high scattering. At wavelengths above 700 nm, measured μ_{a} values do not vary significantly with amount of scattering. For 1.0 vol.% ink absorbers, measured spectra do not change with low scattering. These results indicate that the method can be used for measuring absorption spectra of scattering liquid samples with optical properties similar to biological absorbers, particularly at wavelengths above 700 nm, which is difficult to accomplish with standard transmission spectrophotometry.
Jacques, S L; McAuliffe, D J
1991-06-01
The explosive vaporization of melanosomes in situ in skin during pulsed laser irradiation (pulse duration less than 1 microsecond) is observed as a visible whitening of the superficial epidermal layer due to stratum corneum disruption. In this study, the ruby laser (694 nm) was used to determine the threshold radiant exposure, H0 (J/cm2), required to elicit whitening for in vitro black (Negroid) human skin samples which were pre-equilibrated at an initial temperature, Ti, of 0, 20, or 50 degrees C. A plot of H0 vs Ti yields a straight line whose x-intercept indicates the threshold temperature of explosive vaporization to be 112 +/- 7 degrees C (SD, N = 3). The slope, delta H0/delta Ti, specifies the internal absorption coefficient, mua, within the melanosome: mua = -rho C/(slope(1 + 7.1 Rd)), where rho C is the product of density and specific heat, and Rd is the total diffuse reflectance from the skin. A summary of the absorption spectrum (mua) for the melanosome interior (351-1064 nm) is presented based on H0 data from this study and the literature. The in vivo absorption spectrum (380-820 nm) for human epidermal melanin was measured by an optical fiber spectrophotometer and is compared with the melanosome spectrum. PMID:1886936
Jacques, S L; McAuliffe, D J
1991-06-01
The explosive vaporization of melanosomes in situ in skin during pulsed laser irradiation (pulse duration less than 1 microsecond) is observed as a visible whitening of the superficial epidermal layer due to stratum corneum disruption. In this study, the ruby laser (694 nm) was used to determine the threshold radiant exposure, H0 (J/cm2), required to elicit whitening for in vitro black (Negroid) human skin samples which were pre-equilibrated at an initial temperature, Ti, of 0, 20, or 50 degrees C. A plot of H0 vs Ti yields a straight line whose x-intercept indicates the threshold temperature of explosive vaporization to be 112 +/- 7 degrees C (SD, N = 3). The slope, delta H0/delta Ti, specifies the internal absorption coefficient, mua, within the melanosome: mua = -rho C/(slope(1 + 7.1 Rd)), where rho C is the product of density and specific heat, and Rd is the total diffuse reflectance from the skin. A summary of the absorption spectrum (mua) for the melanosome interior (351-1064 nm) is presented based on H0 data from this study and the literature. The in vivo absorption spectrum (380-820 nm) for human epidermal melanin was measured by an optical fiber spectrophotometer and is compared with the melanosome spectrum.
De Roo, Jonathan; Ibáñez, Maria; Geiregat, Pieter; Nedelcu, Georgian; Walravens, Willem; Maes, Jorick; Martins, Jose C; Van Driessche, Isabel; Kovalenko, Maksym V; Hens, Zeger
2016-02-23
Lead halide perovskite materials have attracted significant attention in the context of photovoltaics and other optoelectronic applications, and recently, research efforts have been directed to nanostructured lead halide perovskites. Collodial nanocrystals (NCs) of cesium lead halides (CsPbX3, X = Cl, Br, I) exhibit bright photoluminescence, with emission tunable over the entire visible spectral region. However, previous studies on CsPbX3 NCs did not address key aspects of their chemistry and photophysics such as surface chemistry and quantitative light absorption. Here, we elaborate on the synthesis of CsPbBr3 NCs and their surface chemistry. In addition, the intrinsic absorption coefficient was determined experimentally by combining elemental analysis with accurate optical absorption measurements. (1)H solution nuclear magnetic resonance spectroscopy was used to characterize sample purity, elucidate the surface chemistry, and evaluate the influence of purification methods on the surface composition. We find that ligand binding to the NC surface is highly dynamic, and therefore, ligands are easily lost during the isolation and purification procedures. However, when a small amount of both oleic acid and oleylamine is added, the NCs can be purified, maintaining optical, colloidal, and material integrity. In addition, we find that a high amine content in the ligand shell increases the quantum yield due to the improved binding of the carboxylic acid.
The Optical Absorption Coefficient of Bean Seeds Investigated Using Photoacoustic Spectroscopy
NASA Astrophysics Data System (ADS)
Sanchez-Hernandez, G.; Hernandez-Aguilar, C.; Dominguez-Pacheco, A.; Cruz-Orea, A.; Perez-Reyes, M. C. J.; Martinez, E. Moreno
2015-06-01
A knowledge about seed optical parameters is of great relevance in seed technology practice. Such parameters provide information about its absorption and reflectance, which could be useful for biostimulation processes, by light sources, in early stages of seed germination. In the present research photoacoustic spectroscopy (PAS) and the Rosencwaig and Gersho model were used to determine the optical absorption coefficient () of five varieties of bean seeds ( Phaseolus vulgaris L.), of different productive cycles; the seeds were biostimulated by laser treatment to evaluate the effects of biostimulation pre-sowing. It was found that the bean varieties V1, V2, V4, and V5 were optically opaque in the visible spectrum; in the case of the V3 variety, this sample was optically transparent from 680 nm. The varieties of the studied bean seeds showed significant statistical differences in sizes and also in their optical absorption spectra. The biostimulation effects showed that the seed samples with a higher optical penetration length had a positive biostimulation, in the percentage of germination, obtaining an enhancement of 47 % compared to the control sample. The utility of PAS for the optical characterization of seeds has been demonstrated in this study of the laser biostimulation process of this kind of samples.
Binzoni, T; Leung, T S; Rüfenacht, D; Delpy, D T
2006-01-21
Based on quasi-elastic scattering theory (and random walk on a lattice approach), a model of laser-Doppler flowmetry (LDF) has been derived which can be applied to measurements in large tissue volumes (e.g. when the interoptode distance is >30 mm). The model holds for a semi-infinite medium and takes into account the transport-corrected scattering coefficient and the absorption coefficient of the tissue, and the scattering coefficient of the red blood cells. The model holds for anisotropic scattering and for multiple scattering of the photons by the moving scatterers of finite size. In particular, it has also been possible to take into account the simultaneous presence of both Brownian and pure translational movements. An analytical and simplified version of the model has also been derived and its validity investigated, for the case of measurements in human skeletal muscle tissue. It is shown that at large optode spacing it is possible to use the simplified model, taking into account only a 'mean' light pathlength, to predict the blood flow related parameters. It is also demonstrated that the 'classical' blood volume parameter, derived from LDF instruments, may not represent the actual blood volume variations when the investigated tissue volume is large. The simplified model does not need knowledge of the tissue optical parameters and thus should allow the development of very simple and cost-effective LDF hardware.
NASA Technical Reports Server (NTRS)
Leone, Stephen R.
1993-01-01
The objectives are to measure laboratory rate coefficients for key reactions of hydrocarbon molecules and radicals at low temperatures, which are relevant to the atmospheric photochemistry of Saturn, Jupiter, and Titan. Upcoming NASA planetary missions, such as Cassini, will probe the atmosphere of Titan in more detail, offering an excellent opportunity to test kinetic models and to establish fiducial standards for using kinetic models to interpret various parameters of the outer planets. Accurate low temperature kinetic data, which are presently lacking, may require crucial revisions to the rates of formation and destruction and are of utmost importance to the success of these efforts. In this program, several key reactions of ethynyl radicals (C2H) with acetylene (C2H2), methane (CH4), and oxygen (O2), down to temperatures of 170 K were successfully investigated. The experimental apparatus developed in our laboratory for measuring reaction kinetics at low temperatures consists of a laser photolysis/infrared probe laser setup. The rate measurements are carried out as a function of (low) temperature with a transverse flow cell designed specifically for these studies. A 193 nm argon fluoride pulsed excimer laser is used to photolyze a suitable precursor molecule, such as acetylene to produce C2H, and a high resolution, tunable infrared F-center laser (2.3-3.35 mu m) probes the transient concentrations of the radical species directly in absorption to extract the kinetic rate coefficients.
NASA Technical Reports Server (NTRS)
Eldridge, Jeffrey I.; Spuckler, Charles M.; Markham, James R.
2009-01-01
The temperature dependence of the scattering and absorption coefficients for a set of freestanding plasma-sprayed 8 wt% yttria-stabilized zirconia (8YSZ) thermal barrier coatings (TBCs) was determined at temperatures up to 1360 C in a wavelength range from 1.2 micrometers up to the 8YSZ absorption edge. The scattering and absorption coefficients were determined by fitting the directional-hemispherical reflectance and transmittance values calculated by a four-flux Kubelka Munk method to the experimentally measured hemispherical-directional reflectance and transmittance values obtained for five 8YSZ thicknesses. The scattering coefficient exhibited a continuous decrease with increasing wavelength and showed no significant temperature dependence. The scattering is primarily attributed to the relatively temperature-insensitive refractive index mismatch between the 8YSZ and its internal voids. The absorption coefficient was very low (less than 1 per centimeter) at wavelengths between 2 micrometers and the absorption edge and showed a definite temperature dependence that consisted of a shift of the absorption edge to shorter wavelengths and an increase in the weak absorption below the absorption edge with increasing temperature. The shift in the absorption edge with temperature is attributed to strongly temperature-dependent multiphonon absorption. While TBC hemispherical transmittance beyond the absorption edge can be predicted by a simple exponential decrease with thickness, below the absorption edge, typical TBC thicknesses are well below the thickness range where a simple exponential decrease in hemispherical transmittance with TBC thickness is expected. [Correction added after online publication August 11, 2009: "edge to a shorter wavelengths" has been updated as edge to shorter wavelengths."
NASA Astrophysics Data System (ADS)
Bondarenko, S. V.; Garanin, Sergey G.; Zhidkov, N. V.; Pinegin, A. V.; Suslov, N. A.
2012-01-01
We set forth the data of experimental investigation of X-ray spectral absorption coefficients in the 1.1 — 1.6 keV photon energy range for Al and Ge specimens bulk heated by soft X-ray radiation. Two experimental techniques are described: with the use of one facility channel and the heating of specimens by the X-ray radiation from a plane burnthrough target, as well as with the use of four channels and the heating by the radiation from two cylindrical targets with internal input of laser radiation. The X-ray radiation absorption coefficients were studied by way of transmission absorption spectroscopy using backlighting X-ray radiation from a point source. The results of investigation of X-ray spectral absorption coefficients on the 1s — 2p transitions in Al atoms and the 2p — 3d transitions in Ge atoms are presented.
Rate coefficients for reaction of OH with acetone between 202 and 395 K
Wollenhaupt, M.; Carl, S.A.; Horowitz, A.; Crowley, J.N.
2000-03-30
The kinetics of the title reaction were investigated between 202 and 395 K and at 20, 50, and 100 Torr of Ar or N{sub 2} bath gas using pulsed laser photolysis (PLP) generation of OH combined with both resonance fluorescence (RF) and laser-induced fluorescence (LIF) detection. OH was generated either by the sequential 439 nm, two-photon dissociation of NO{sub 2} in the presence of H{sub 2}, or by HONO photolysis at 351 nm. The accuracy of the rate constants obtained was enhanced by optical absorption measurements of acetone concentrations both before and after the photolysis reactor. The temperature dependence is not describe by a simple Arrhenius expression but by k{sub 1} (202--395 K) = 8.8 x 10{sup {minus}12} exp({minus}1,320/T) + 1.7 x 10{sup {minus}14} exp(423/T) cm{sup 3} s{sup {minus}1}, indicating that a simple H atom abstraction may not be the only reaction mechanism. The estimated total error (95% confidence) associated wit the rate coefficient derived from this expression is estimated as 5% and is independent of temperature. The curvature in the Arrhenius plot results in a significantly larger rate coefficient at low temperatures than obtained by extrapolation of the previous measurement and implies greater significance for the reaction with OH as a sink for acetone in the upper troposphere than presently assumed.
Röttgers, Rüdiger; McKee, David; Utschig, Christian
2014-10-20
The light absorption coefficient of water is dependent on temperature and concentration of ions, i.e. the salinity in seawater. Accurate knowledge of the water absorption coefficient, a, and/or its temperature and salinity correction coefficients, Ψ(T) and Ψ(S), respectively, is essential for a wide range of optical applications. Values are available from published data only at specific narrow wavelength ranges or at single wavelengths in the visible and infrared regions. Ψ(T) and Ψ(S) were therefore spectrophotometrically measured throughout the visible, near, and short wavelength infrared spectral region (400 to ~2700 nm). Additionally, they were derived from more precise measurements with a point-source integrating-cavity absorption meter (PSICAM) for 400 to 700 nm. When combined with earlier measurements from the literature in the range of 2600 - 14000 nm (wavenumber: 3800 - 700 cm(-1)), the coefficients are provided for 400 to 14000 nm (wavenumber: 25000 to 700 cm(-1)).
High resolution absorption coefficients for Freon-12. [by using tunable diode laser spectroscopy
NASA Technical Reports Server (NTRS)
Hoell, J. M.; Bair, C. H.; Williams, B.; Harward, C.
1979-01-01
The ultra high resolution absorption coefficients of the Q-branch of Freon-12 obtained with tunable diode laser spectroscopy are presented. Continuous spectra are presented from 1155/cm to 1163/cm, and absolute wavelength calibration was obtained using SO2 spectra as a standard and a 5 cm Ge etalon for relative calibration between SO2 lines. The Freon-12 data obtained at a pressure of 0.05 torr showed a rich and highly structured spectra, but with the exception of three isolated features, collisional broadening reduces the spectra to a structureless continuum for nitrogen pressures greater than 20 torr. The spectra at 1161/cm continue to exhibit structure at atmospheric pressure.
NASA Astrophysics Data System (ADS)
Dombrovsky, Leonid A.
2016-03-01
A significant uncertainty in the absorption coefficient of highly scattering dispersed materials is typical in the spectral ranges of very weak absorption. The traditional way to identify the main absorption and scattering characteristics of semi-transparent materials is based on spectral measurements of normal-hemispherical reflectance and transmittance for the material sample. Unfortunately this way cannot be used in the case of in vivo measurements of optical properties of biological tissues. A method suggested in the present paper is based on thermal response to the periodic radiative heating of the open surface of a semi-transparent material. It is shown that the period of a variation of the surface temperature is sensitive to the value of an average absorption coefficient in the surface layer. As a result, the monochromatic external irradiation combined with the surface temperature measurements can be used to retrieve the spectral values of absorption coefficient. Possible application of this method to porous semi-transparent ceramics is considered. An example problem is also solved to illustrate the applicability of this method to human skin. The approach suggested enables one to estimate an average absorption coefficient of human skin of a patient just before the thermal processing.
NASA Astrophysics Data System (ADS)
Ajtai, T.; Schnaiter, M.; Linke, C.; Vragel, M.; Filep, Á.; Fődi, L.; Motika, G.; Bozóki, Z.; Szabó, G.
2009-04-01
Despite of its importance, the possibilities to determine the direct radiative forcing by atmospheric aerosols is very limited due to lack of the reliable on-line instruments. Therefore there is an increasing concern for novel methods promising more accurate and reliable results in this field. The accuracy and reliability of the available on-line instruments like SP2 (Single Particle Soot Photometer), MAAP (Multi Angle Absorption Photometer), are limited by the weakness of the spectral resolution or the sampling artefact of filter matrix during the light attenuation measurement on the deposited filter. These methods neither suitable for direct determination of the light absorption by aerosols nor dispose the capability of the source apportionment. In this work we present a novel photoacoustic based instrument for direct light absorption measurements in the atmosphere and demonstrate the suitability of that both in laboratory and field circumstances. We have developed a novel Multi Wavelength PhotoAcoustic System (WaSul-MuWaPas) based on the diode laser pumped, high repetition rate, Q-switched Nd:YAG laser and its frequency converted harmonics for direct determination of light absorption by aerosols. This instrument has designed to make in situ measurements at four different wavelengths simultaneously from the NIR to the UV wavelength range (1064nm, 532nm, 355nm, 266nm). The Wasul-MuWaPas measures directly the optical absorption coefficient on airborne particles, not belong to the integrated plate type technique (filter-free operation), operating at wide wavelength range (source apportionment possibilities), due to the possibilities of the wavelength independent cell constant determination the measurement method is absolute. Because of these the Wasul-MuWaPas system may become one of the best candidate for absorption measurements of various atmospheric aerosols such as black carbon, mineral dust, and secondary organic and inorganic aerosols as well as for source
NASA Astrophysics Data System (ADS)
Wu, J.; Hong, H.; Shang, S.; Dai, M.; Lee, Z.
2007-05-01
We examined the temporal and spatial variabilities of phytoplankton absorption coefficients (αphλ)) and their relationships with physical processes in the northern South China Sea from two cruise surveys during spring (May 2001) and late autumn (November 2002). A large river plume induced by heavy precipitation in May stimulated a phytoplankton bloom on the inner shelf, causing significant changes in the surface water in αph values and B/R ratios (αph(440)/αph(675)). This was consistent with the observed one order of magnitude elevation of chlorophyll α and a shift from a pico/nano dominated phytoplankton community to one dominated by micro-algae. At the seasonal level, enhanced vertical mixing due to strengthened northeast monsoon in November has been observed to result in higher surface αph(675) (0.002-0.006 m-1 higher) and less pronounced subsurface maximum on the outer shelf/slope in November as compared that in May. Measurements of αph and B/R ratios from three transects in November revealed a highest surface αph(675) immediately outside the mouth of the Pearl River Estuary, whereas lower αph(675) and higher B/R ratios were featured in the outer shelf/slope waters, demonstrating the respective influence of the Pearl River plume and the oligotrophic nature of South China Sea water. The difference in spectral shapes of phytoplankton absorption (measured by B/R ratios and bathochromic shifts) on these three transects infers that picoprocaryotes are the major component of the phytoplankton community on the outer shelf/slope rather than on the inner shelf. In addition, a regional tuning of the phytoplankton absorption spectral model (Carder et al., 1999) demonstrated a greater spatial variation than seasonal variation in the lead parameter a0(λ). These results suggest that phytoplankton absorption properties in a coastal region such as the northern South China Sea are complex and region-based parameterization is mandatory in order for remote sensing
NASA Astrophysics Data System (ADS)
Lee, H. J.; Aiona, P. K.; Nizkorodov, S.; Laskin, J.; Laskin, A.
2014-12-01
Atmospheric aerosols that absorb solar radiation have a direct effect on climate. Brown carbon (BrC) represents the type of carbonaceous aerosols characterized by large absorption coefficients in the near-UV range of the spectrum. BrC can be either directly emitted into the atmosphere from combustion sources, or be formed in the atmosphere through multi-phase reactions, such as aging of secondary organic aerosols (SOA) mediated by ammonium sulfate (AS). Under the conditions of exposure to solar radiation, both primary and secondary BrC can potentially change their molecular composition and optical properties as a result of photodegradation of chromophoric compounds. This presentation will discuss the molecular level composition, the absorption and fluorescence spectra, and the mechanism of photodegradation among several representative types of BrC. The primary BrC samples include aerosol produced by smoldering wood combustion. The secondary BrC samples include AS aged products of chamber-generated SOA, products of reaction between methylglyoxal and AS, and SOA produced by the hogh-NOx photooxdiation of aromatic compounds, such as naphthalene. This presentation will also include preliminary data on the absorption and fluorescence spectra of photo-degraded bioaerosols. In all cases, absorption spectra of extracted bulk samples are measured during irradiation by a known flux of UV or visible light. The molecular level composition of the fresh and photobleached samples are characterized by high-resolution electrospray ionization mass spectrometry (HR-ESI-MS). Photobleaching of BrC is found to occur over a range of atmospherically relevant time scales. In many cases, the molecular level composition of photobleached BrC exhibits only subtle changes suggesting that the optical and fluorescence properties of BrC are controlled by a few compounds present in low quantities. The observed fluorescence from non-biological BrC indicates potential issues in using fluorescence
Wei, Jianwei; Lee, Zhongping
2015-02-01
The light absorption of phytoplankton and colored detrital matter (CDM), which includes contribution of gelbstoff and detrital matters, has distinctive yet overlapping features in the ultraviolet (UV) and visible domain. The CDM absorption (a(dg)) increases exponentially with decreasing wavelength while the absorption coefficient of phytoplankton (a(ph)) generally decreases toward the shorter bands for the range of 350-450 nm. It has long been envisioned that including ocean color measurements in the UV range may help the separation of these two components from the remotely sensed ocean color spectrum. An attempt is made in this study to provide an analytical assessment of this expectation. We started with the development of an absorption decomposition model [quasi-analytical algorithm (QAA)-UV], analogous to the QAA, that partitions the total absorption coefficient using information at bands 380 and 440 nm. Compared to the retrieval results relying on the absorption information at 410 and 440 nm of the original QAA, our analyses indicate that QAA-UV can improve the retrieval of a(ph) and a(dg), although the improvement in accuracy is not significant for values at 440 nm. The performance of the UV-based algorithm is further evaluated with in situ measurements. The limited improvement observed with the field measurements highlights that the separation of a(dg) and a(ph) is highly dependent on the accuracy of the ocean color measurements and the estimated total absorption coefficient.
NASA Astrophysics Data System (ADS)
Vivacqua, Marco; Espinosa, Daniel; Martins Figueiredo Neto, Antônio
2012-06-01
We investigate the occurrence of the optical Kerr effect and two-photon absorption when an oil-based magnetic Fe3O4 nanoparticles colloidal suspension is illuminated with high intensity femtosecond laser pulses. The frequency of the pulses is controlled and the Z-scan technique is employed in our measurements of the nonlinear optical Kerr coefficient (n2) and two-photon absorption coefficient (β). From these values it was possible to calculate the real and imaginary parts of the third-order susceptibility. We observed that increasing the pulse frequency, additional physical processes take place, increasing artificially the absolute values of n2 and β. The experimental conditions are discussed to assure the obtention of reliable values of these nonlinear optical parameters, which may be useful in all-optical switching and optical power limiting applications.
NASA Astrophysics Data System (ADS)
Cacciani, Marco; Disarra, Alcide; Fiocco, Giorgio
1987-06-01
Instrumentation for the absolute measurement of the ozone absorption coefficient in the Huggins bands at different temperatures was set up. Ozone is produced with an electrical discharge and stored cryogenically; differential absorption measurements are carried out in a slowly evolving mixture of ozone and molecular oxygen. Results in the region 339 to 362 nm at temperatures between minus 30 and plus 40 C are reported. Results support Katayama's (1979) model of the transitions giving rise to the Huggins absorption bands of ozone. For measurements of atmospheric ozone profiles by DIAL techniques, the results on the temperature dependence of the absorption coefficient at the wavelength corresponding to the third harmonic of an NdYAG laser are stressed.
NASA Technical Reports Server (NTRS)
Smith, Wm. Hayden; Conner, Charles P.; Baines, Kevin H.
1990-01-01
A novel laser intracavity photoacoustic spectroscopy method allowing high sample control accuracy due to the small sample volume required has been used to obtain absorption coefficients for the CH4 6190 A band as a function of temperature, from 290 to 100 K. The peak absorption coefficient is found to increase from 0.6 to 1.0/cm, and to be accompanied by significant band shape changes. When used to further constrain the Baines and Bergstrahl (1986) standard model of the Uranus atmosphere, the low-temperature data yield an excellent fit to the bandshape near the 6190 A band's minimum.
Smith, WM.H.; Conner, C.P.; Baines, K.H. JPL, Pasadena, CA )
1990-05-01
A novel laser intracavity photoacoustic spectroscopy method allowing high sample control accuracy due to the small sample volume required has been used to obtain absorption coefficients for the CH{sub 4} 6190 A band as a function of temperature, from 290 to 100 K. The peak absorption coefficient is found to increase from 0.6 to 1.0/cm, and to be accompanied by significant band shape changes. When used to further constrain the Baines and Bergstrahl (1986) standard model of the Uranus atmosphere, the low-temperature data yield an excellent fit to the bandshape near the 6190 A band's minimum. 18 refs.
Absorption Coefficients of the Methane-Nitrogen Binary Ice System: Implications for Pluto
NASA Astrophysics Data System (ADS)
Protopapa, Silvia; Grundy, W.; Tegler, S.; Bergonio, J.; Boehnhardt, H.; Barrera, L.
2013-10-01
Near infrared spectroscopic measurements of Pluto display methane (CH4) ice absorption bands shifted toward shorter wavelengths compared to the central wavelengths of pure CH4 obtained in the laboratory. This shift, described by Schmitt and Quirico (1992), occurs when CH4 is dissolved at low concentrations in a matrix of solid N2, and the magnitude of the shift varies from one CH4 band to another. This is the main argument behind the modeling analysis of Pluto’s spectra available in literature, employing pure CH4 and CH4 diluted at low concentrations in N2. However, the nitrogen-methane binary phase diagram generated from X-ray diffraction studies by Prokhvatilov & Yantsevich (1983) indicates that at temperatures relevant to the surfaces of icy dwarf planets, like Pluto, two phases contribute to the absorptions: methane ice saturated with nitrogen and nitrogen ice saturated with methane. No optical constants are available so far for the latter component, limiting this way the knowledge of the methane-nitrogen mixing ratio across and into the surface of Pluto and other dwarf planets. New infrared absorption coefficient spectra of CH4-I diluted in β-N2 and β-N2 diluted in CH4-I were measured at temperatures between 40 and 90 K, in the wavelength range 0.8-2.5 μm at different mixing ratios. The spectra were derived from transmission measurements of crystals grown from the liquid phase in closed cells. In particular, a systematic study of the changes in CH4:N2 mixtures spectral behavior with mixing ratio is presented for the first time, in order to understand whether the peak frequencies of the CH4-ice bands correlate with the amount of N2-ice. We report a linear trend of the blueshifts of the CH4-ice bands vs CH4 abundance. This trend varies from band to band, while it is fairly constant with temperature. These data are applied to interpret unpublished high dispersion H and K bands spectra of Pluto acquired with the NACO instrument at the ESO VLT on 27 June 2008
EVAPOTRANSPIRATION RATES AND CROP COEFFICIENTS FOR LOWBUSH BLUEBERRY (Vaccinium angustifolium)
Technology Transfer Automated Retrieval System (TEKTRAN)
Lowbush blueberry (Vaccinium angustifolium) yield is strongly influenced by water availability; however, growers need more specific irrigation recommendations in order to optimize water use efficiency. Weighing lysimeters were used to determine actual evapotranspiration (ET) rates of lowbush bluebe...
Optoelectronic properties of Mg{sub 2}Si semiconducting layers with high absorption coefficients
Kato, Takashi; Sago, Yuichiro; Fujiwara, Hiroyuki
2011-09-15
In an attempt to develop a low-cost material for solar cell devices, polycrystalline magnesium silicide (poly-Mg{sub 2}Si) semiconducting layers have been prepared by applying rf magnetron sputtering using a Mg{sub 2}Si target. The optimum substrate temperature for the poly-Mg{sub 2}Si growth was found to be T{sub s} = 200 deg. C; the film deposition at higher temperatures leads to desorption of Mg atoms from the growing surface, while the amorphous phase formation occurs at room temperature. The poly-Mg{sub 2}Si layer deposited at T{sub s} = 200 deg. C shows the (111) preferential orientation with a uniform grain size of {approx}50 nm. The dielectric function of the poly-Mg{sub 2}Si layer has been determined accurately by spectroscopic ellipsometry. From the analysis, quite high absorption coefficients and an indirect gap of 0.77 eV in the poly-Mg{sub 2}Si layer have been confirmed. The above poly-Mg{sub 2}Si layer shows clear photoconductivity and can be applied as a narrow-gap bottom layer in multi-junction solar cell devices.
Effects of nanosilver on sound absorption coefficients in solid wood species.
Taghiyari, Hamid Reza; Esmailpour, Ayoub; Zolfaghari, Habib
2016-06-01
Sound absorption coefficients (ACs) were determined in five solid woods (poplar, beech, walnut, mulberry, and fir) in the longitudinal and tangential directions at four different frequencies of 800, 1000, 2000, and 4000 Hz. The length of the longitudinal and tangential specimens was 50-mm and 10-mm, respectively. Separate sets of specimens were impregnated with either nanosilver suspension or water. The size range of nanoparticles was 30-80 nm. Results showed that sound ACs were lower in longitudinal specimens because sound waves could penetrate the open ends of vessels more easily, being trapped and damped there. Impregnation with both nanosilver suspension and water resulted in a significant decrease in the sound ACs. The decrease in the ACs was due to the collapsing and accumulation of perforation plates and cell parts, blocking the way through which waves could pass through the vessels. This caused higher damping due to a phenomenon called vibration decay. Correlation between gas permeability versus sound AC is significantly dependant on the porous structure of individual specimens.
Noise-driven optical absorption coefficients of impurity doped quantum dots
NASA Astrophysics Data System (ADS)
Ganguly, Jayanta; Saha, Surajit; Pal, Suvajit; Ghosh, Manas
2016-01-01
We make an extensive investigation of linear, third-order nonlinear, and total optical absorption coefficients (ACs) of impurity doped quantum dots (QDs) in presence and absence of noise. The noise invoked in the present study is a Gaussian white noise. The quantum dot is doped with repulsive Gaussian impurity. Noise has been introduced to the system additively and multiplicatively. A perpendicular magnetic field acts as a source of confinement and a static external electric field has been applied. The AC profiles have been studied as a function of incident photon energy when several important parameters such as optical intensity, electric field strength, magnetic field strength, confinement energy, dopant location, relaxation time, Al concentration, dopant potential, and noise strength take on different values. In addition, the role of mode of application of noise (additive/multiplicative) on the AC profiles has also been analyzed meticulously. The AC profiles often consist of a number of interesting observations such as one photon resonance enhancement, shift of AC peak position, variation of AC peak intensity, and bleaching of AC peak. However, presence of noise alters the features of AC profiles and leads to some interesting manifestations. Multiplicative noise brings about more complexity in the AC profiles than its additive counterpart. The observations indeed illuminate several useful aspects in the study of linear and nonlinear optical properties of doped QD systems, specially in presence of noise. The findings are expected to be quite relevant from a technological perspective.
Effects of nanosilver on sound absorption coefficients in solid wood species.
Taghiyari, Hamid Reza; Esmailpour, Ayoub; Zolfaghari, Habib
2016-06-01
Sound absorption coefficients (ACs) were determined in five solid woods (poplar, beech, walnut, mulberry, and fir) in the longitudinal and tangential directions at four different frequencies of 800, 1000, 2000, and 4000 Hz. The length of the longitudinal and tangential specimens was 50-mm and 10-mm, respectively. Separate sets of specimens were impregnated with either nanosilver suspension or water. The size range of nanoparticles was 30-80 nm. Results showed that sound ACs were lower in longitudinal specimens because sound waves could penetrate the open ends of vessels more easily, being trapped and damped there. Impregnation with both nanosilver suspension and water resulted in a significant decrease in the sound ACs. The decrease in the ACs was due to the collapsing and accumulation of perforation plates and cell parts, blocking the way through which waves could pass through the vessels. This caused higher damping due to a phenomenon called vibration decay. Correlation between gas permeability versus sound AC is significantly dependant on the porous structure of individual specimens. PMID:27256895
NASA Astrophysics Data System (ADS)
Clark, Christopher J. R.; Schofield, Simon P.; Gomez, Haley L.; Davies, Jonathan I.
2016-06-01
We use the published photometry and spectroscopy of 22 galaxies in the Herschel Reference Survey to determine that the value of the dust mass absorption coefficient κd at a wavelength of 500 μm is kappa _{500} = 0.051^{+0.070}_{-0.026} m^{2 kg^{-1}}. We do so by taking advantage of the fact that the dust-to-metals ratio in the interstellar medium of galaxies appears to be constant. We argue that our value for κd supersedes that of James et al. - who pioneered this approach for determining κd - because we take advantage of superior data, and account for a number of significant systematic effects that they did not consider. We comprehensively incorporate all methodological and observational contributions to establish the uncertainty on our value, which represents a marked improvement on the oft-quoted `order-of-magnitude' uncertainty on κd. We find no evidence that the value of κd differs significantly between galaxies, or that it correlates with any other measured or derived galaxy properties. We note, however, that the availability of data limits our sample to relatively massive (109.7 < M⋆ < 1011.0 M⊙), high metallicity (8.61 < [ 12 + log_{10} fracOH ] < 8.86) galaxies; future work will allow us to investigate a wider range of systems.
NASA Astrophysics Data System (ADS)
Vuye, Cedric; Vanlanduit, Steve; Guillaume, Patrick
2009-06-01
When using optical measurements of the sound fields inside a glass tube, near the material under test, to estimate the reflection and absorption coefficients, not only these acoustical parameters but also confidence intervals can be determined. The sound fields are visualized using a scanning laser Doppler vibrometer (SLDV). In this paper the influence of different test signals on the quality of the results, obtained with this technique, is examined. The amount of data gathered during one measurement scan makes a thorough statistical analysis possible leading to the knowledge of confidence intervals. The use of a multi-sine, constructed on the resonance frequencies of the test tube, shows to be a very good alternative for the traditional periodic chirp. This signal offers the ability to obtain data for multiple frequencies in one measurement, without the danger of a low signal-to-noise ratio. The variability analysis in this paper clearly shows the advantages of the proposed multi-sine compared to the periodic chirp. The measurement procedure and the statistical analysis are validated by measuring the reflection ratio at a closed end and comparing the results with the theoretical value. Results of the testing of two building materials (an acoustic ceiling tile and linoleum) are presented and compared to supplier data.
Temperature dependences of rate coefficients for electron catalyzed mutual neutralization
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].
NASA Astrophysics Data System (ADS)
Ebrahimipour, Bahareh Alsadat; Askari, Hassan Ranjbar; Ramezani, Ali Behjat
2016-09-01
The interlevel absorption coefficient of CdSe/ZnS and ZnS/CdSe core-shell Quantum Dot (QD) in luminescent solar concentrators (LSCs) is reported. By considering the quantum confinement effects, the wave functions and eigenenergies of electrons in the nonperturebative system consists of a core-shell QD have been numerically calculated under the frame work of effective-mass approximation by solving a three-dimensional Schrӧdinger equation. And then the absorption coefficient is obtained under density matrix approximation considering in the polymer sheets of the concentrator including the core-shell QDs. The effect of the hetero-structure geometry upon the energy spectrum and absorption coefficient associated to interlevel transitions was also considered. The results show that the core-shell QDs can absorb the photons with higher energy in solar spectrum as compared to the inverted core-shell. And with a small shell layer diameter, the core-shell QDs produce larger linear absorption coefficients and consequently higher efficiency values, however it is inversed for inverted core-shell QDs. The work described here gives a detailed insight into the promise of QD-based LSCs and the optoelectronic devices applications.
Several important optical terms such as "absorbance" and "absorption coefficient" are frequently used ambiguously in the current peer-reviewed literature. Since they are important terms that are required to derive other quantities such as the "apparent quantum yield" of photoprod...
NASA Technical Reports Server (NTRS)
Barstow, M. A.; Lewis, M.; Petre, R.
1983-01-01
Transmittances of thin-film filters fabricated for an extreme-UV astronomy sounding-rocket experiment yield values for the linear absorption coefficient of beryllium in the 50-300-A wavelength range, in which previous measurements are sparse. The inferred values are consistent with the lowest data previously published and may have important consequences for extreme-UV astronomers.
Wang, J.; Zhang, X. Yu, L.; Zhao, X.
2014-12-15
In tokamaks, fusion generated α particles may absorb lower hybrid (LH) wave energy, thus reducing the LH current drive efficiency. The absorption coefficient γ{sub α} of LH waves due to α particles changing with some typical parameters is calculated in this paper. Results show that γ{sub α} increases with the parallel refraction index n{sub ‖}, while decreases with the frequency of LH waves ω over a wide range. Higher background plasma temperature and toroidal magnetic field will increase the absorption. The absorption coefficient γ{sub α} increases with n{sub e} when n{sub e} ≤ 8 × 10{sup 19} m{sup −3}, while decreases with n{sub e} when n{sub e} becomes larger, and there is a peak value of γ{sub α} when n{sub e} ≈ 8 × 10{sup 19} m{sup −1} for the ITER-like scenario. The influence of spectral broadening in parametric decay instabilities on the absorption coefficient is evaluated. The value of γ{sub α} with n{sub ‖} being 2.5 is almost two times larger than that with n{sub ‖} being 2.0 and is even lager in the case of 2.9, which will obviously increase the absorption of the LH power by alpha particles.
Absorption coefficient of urban aerosol in Nanjing, west Yangtze River Delta, China
NASA Astrophysics Data System (ADS)
Zhuang, B. L.; Wang, T. J.; Liu, J.; Ma, Y.; Yin, C. Q.; Li, S.; Xie, M.; Han, Y.; Zhu, J. L.; Yang, X. Q.; Fu, C. B.
2015-12-01
Absorbing aerosols can significantly modulate short-wave solar radiation in the atmosphere, affecting regional and global climate. The aerosol absorption coefficient (AAC) is an indicator that assesses the impact of absorbing aerosols on radiative forcing. In this study, the near-surface AAC and absorption Ångström exponent (AAE) in the urban area of Nanjing, China, are characterized on the basis of measurements in 2012 and 2013 using the seven-channel Aethalometer (model AE-31, Magee Scientific, USA). The AAC is estimated with direct and indirect corrections, which result in consistent temporal variations and magnitudes of AAC at 532 nm. The mean AAC at 532 nm is about 43.23 ± 28.13 M m-1 in the urban area of Nanjing, which is much lower than that in Pearl River Delta and the same as in rural areas (Lin'an) in Yangtze River Delta. The AAC in the urban area of Nanjing shows strong seasonality (diurnal variations); it is high in cold seasons (at rush hour) and low in summer (in the afternoon). It also shows synoptic and quasi-2-week cycles in response to weather systems. Its frequency distribution follows a typical log-normal pattern. The 532 nm AAC ranging from 15 to 65 M m-1 dominates, accounting for more than 72 % of the total data samples in the entire study period. Frequent high pollution episodes, such as those observed in June 2012 and in winter 2013, greatly enhanced AAC and altered its temporal variations and frequency distributions. These episodes are mostly due to local emissions and regional pollution. Air masses flowing from northern China to Nanjing can sometimes be highly polluted and lead to high AAC at the site. AAE at 660/470 nm from the Schmid correction (Schmid et al., 2006) is about 1.56, which might be more reasonable than from the Weingartner correction (Weingartner et al., 2003). Low AAEs mainly occur in summer, likely due to high relative humidity (RH) in the season. AAC increases with increasing AAE at a fixed aerosol loading. The RH
Xia, X R; Baynes, R E; Monteiro-Riviere, N A; Riviere, J E
2007-01-01
A system coefficient approach is proposed for quantitative assessment of the solvent effects on membrane absorption from chemical mixtures. The complicated molecular interactions are dissected into basic molecular interaction forces via Abraham's linear solvation energy relationship (LSER). The molecular interaction strengths of a chemical are represented by a set of solute descriptors, while those of a membrane/chemical mixture system are represented by a set of system coefficients. The system coefficients can be determined by using a set of probe compounds with known solute descriptors. Polydimethylsiloxane (PDMS) membrane-coated fibres and 32 probe compounds were used to demonstrate the proposed approach. When a solvent was added into the chemical mixture, the system coefficients were altered and detected by the system coefficient approach. The system coefficients of the PDMS/water system were (0.09, 0.49, -1.11, -2.36, -3.78, 3.50). When 25% ethanol was added into the PDMS/water system, the system coefficients were altered significantly (0.38, 0.41, -1.18, -2.07, -3.40, 2.81); and the solvent effect was quantitatively described by the changes in the system coefficients (0.29, -0.08, -0.07, 0.29, 0.38, -0.69). The LSER model adequately described the experimental data with a correlation coefficient (r(2)) of 0.995 and F-value of 1056 with p-value less than 0.0001.
Reaction of limonene with F2: rate coefficient and products.
Bedjanian, Yuri; Romanias, Manolis N; Morin, Julien
2014-11-01
The kinetics of the reaction of limonene (C10H16) with F2 has been studied using a low pressure (P = 1 Torr) and a high pressure turbulent (P = 100 Torr) flow reactor coupled with an electron impact ionization and chemical ionization mass spectrometers, respectively: F2 + Limonene → products (1). The rate constant of the title reaction was determined under pseudo-first-order conditions by monitoring either limonene or F2 decay in excess of F2 or C10H16, respectively. The reaction rate constant, k1 = (1.15 ± 0.25) × 10(-12) exp(160 ± 70)/T) was determined over the temperature range 278-360 K, independent of pressure between 1 (He) and 100 (N2) Torr. F atom and HF were found to be formed in reaction 1 , with the yields of 0.60 ± 0.13 and 0.39 ± 0.09, respectively, independent of temperature in the range 296-355 K.
Benmakhlouf, Hamza; Bouchard, Hugo; Fransson, Annette; Andreo, Pedro
2011-11-21
Backscatter factors, B, and mass energy-absorption coefficient ratios, (μ(en)/ρ)(w, air), for the determination of the surface dose in diagnostic radiology were calculated using Monte Carlo simulations. The main purpose was to extend the range of available data to qualities used in modern x-ray techniques, particularly for interventional radiology. A comprehensive database for mono-energetic photons between 4 and 150 keV and different field sizes was created for a 15 cm thick water phantom. Backscattered spectra were calculated with the PENELOPE Monte Carlo system, scoring track-length fluence differential in energy with negligible statistical uncertainty; using the Monte Carlo computed spectra, B factors and (μ(en)/ρ)(w, air) were then calculated numerically for each energy. Weighted averaging procedures were subsequently used to convolve incident clinical spectra with mono-energetic data. The method was benchmarked against full Monte Carlo calculations of incident clinical spectra obtaining differences within 0.3-0.6%. The technique used enables the calculation of B and (μ(en)/ρ)(w, air) for any incident spectrum without further time-consuming Monte Carlo simulations. The adequacy of the extended dosimetry data to a broader range of clinical qualities than those currently available, while keeping consistency with existing data, was confirmed through detailed comparisons. Mono-energetic and spectra-averaged values were compared with published data, including those in ICRU Report 74 and IAEA TRS-457, finding average differences of 0.6%. Results are provided in comprehensive tables appropriated for clinical use. Additional qualities can easily be calculated using a designed GUI interface in conjunction with software to generate incident photon spectra.
Coordinate-dependent diffusion coefficients: Decay rate in open quantum systems
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.
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.
NASA Astrophysics Data System (ADS)
Busch, T. A.; Nugent, R. E.
2003-10-01
In situ testing determined the insertion loss ( IL) and absorption coefficients of a candidate absorptive noise barrier (soundwall) to abate railway noise for residents of Anaheim, CA. A 4000 m barrier is proposed south of the tracks, but residential areas to the north have expressed concerns that barrier reflections will increase their noise exposure. To address these concerns, a 3.66 m high by 14.6 m long demonstration barrier was built in the parking lot of Edison Field, Anaheim, as part of a public open house, thereby allowing for acoustical measurements. Insertion loss ( IL) was measured in third-octave bands assuming 1/2-scale construction. The IL for three, scaled railway noise sub-sources (rail/wheel interface, locomotive, and train horn) was measured at six, scaled distances. The highest total, A-weighted IL, after corrections for finite-barrier and point-source speaker effects was 22 dB(A) for rail/wheel noise, 18 dB(A) for locomotive noise, and 20 dB(A) for train horn noise. These results can be compared favourably to IL predictions made using algorithms from the US Federal Rail Administration (FRA) noise assessment guidelines. For the actual barrier installation, shielded residential receivers located south of the project are expected to see their future noise exposures reduced from an unmitigated 78 CNEL to 65 CNEL. Absorption coefficients were measured using time delay spectrometry. At lower frequencies, measured absorption coefficients were notably less than the reverberation room results advertised in the manufacturer's literature, but generally conformed with impedance tube results. At higher frequencies the correspondence between measured absorption coefficients and reverberation room results was much improved. For the actual barrier installation, unshielded residential receivers to the north are expected to experience noise exposure increases of less than 1 dB(A). This factor of increase is consistent with a finding of no impact when assessed
Gramsch, Ernesto; Ormeño, Isabel; Palma, Guillermo; Cereceda-Balic, Francisco; Oyola, Pedro
2004-07-01
The optical absorption coefficient, particulate matter with an aerodynamic diameter <2.5 microm, and elemental carbon (EC) have been measured simultaneously during winter and spring of 2000 in the western part of Santiago, Chile (Pudahuel district). The optical measurements were carried out with a low-cost instrument recently developed at the University of Santiago. From the data, a site-specific mass absorption coefficient of 4.45+/-0.01 m2/g has been found for EC. In addition, a mass absorption coefficient of 1.02+/-0.03 m2/g has been obtained for PM2.5. These coefficients can be used during the colder months (May-August) to obtain EC concentration or PM2.5 from a measurement of the light absorption coefficient (sigmaa). The high correlation that has been found between these variables indicates that sigmaa is a good indicator of the degree of contamination of urbanized areas. The data also show an increase in PM2.5 and EC concentration during winter and an increase in the ratio of EC to PM2.5. When the EC/PM2.5 ratio is calculated during rush hour (7:00 a.m.-11:00 a.m.) and during part of the night (9:00 p.m.-2:00 a.m.), it is found that the increase is caused by higher concentration levels of EC at night. These results suggest that the rise in the EC concentration is caused by emissions from heating and air mass transport of pollution from other parts of the city, while traffic contribution remains approximately constant.
Andreo, Pedro; Burns, David T; Salvat, Francesc
2012-04-21
A systematic analysis of the available data has been carried out for mass energy-absorption coefficients and their ratios for air, graphite and water for photon energies between 1 keV and 2 MeV, using representative kilovoltage x-ray spectra for mammography and diagnostic radiology below 100 kV, and for ¹⁹²Ir and ⁶⁰Co gamma-ray spectra. The aim of this work was to establish 'an envelope of uncertainty' based on the spread of the available data. Type A uncertainties were determined from the results of Monte Carlo (MC) calculations with the PENELOPE and EGSnrc systems, yielding mean values for µ(en)/ρ with a given statistical standard uncertainty. Type B estimates were based on two groupings. The first grouping consisted of MC calculations based on a similar implementation but using different data and/or approximations. The second grouping was formed by various datasets, obtained by different authors or methods using the same or different basic data, and with different implementations (analytical, MC-based, or a combination of the two); these datasets were the compilations of NIST, Hubbell, Johns-Cunningham, Attix and Higgins, plus MC calculations with PENELOPE and EGSnrc. The combined standard uncertainty, u(c), for the µ(en)/ρ values for the mammography x-ray spectra is 2.5%, decreasing gradually to 1.6% for kilovoltage x-ray spectra up to 100 kV. For ⁶⁰Co and ¹⁹²Ir, u(c) is approximately 0.1%. The Type B uncertainty analysis for the ratios of µ(en)/ρ values includes four methods of analysis and concludes that for the present data the assumption that the data interval represents 95% confidence limits is a good compromise. For the mammography x-ray spectra, the combined standard uncertainties of (µ(en)/ρ)(graphite,air) and (µ(en)/ρ)(graphite,water) are 1.5%, and 0.5% for (µ(en)/ρ)(water,air), decreasing gradually down to u(c) = 0.1% for the three µ(en)/ρ ratios for the gamma-ray spectra. The present estimates are shown to coincide well
Bell, R J; Davarpanah, M; Goben, C A; Begley, D L; Bhasin, K; Alexander, R W
1975-07-01
The first measurements of the absorption coefficient of materials via surface electromagnetic wave (SEW) techniques are reported. By simply laying samples on a metal sheet on which SEW were passing, the transmittances and absorption coefficients of the sample have been determined. These measurements were made at microwave frequencies, but the general techniques are applicable over the entire frequency range from microwaves into the near ir. Solid samples were used in these measurements, but liquid or gases could also be studied by this new easy-to-use technique. Comments about the applicability of the technique to very thin samples are made. Another result reported is the existence of different propagating SEW modes as a function of the height of a sample (film thickness) measured from the metal-sample interface to the top of the sample at the sample-vacuum interface above.
NASA Technical Reports Server (NTRS)
Varanasi, Prasad
1992-01-01
Spectral absorption coefficients k(v) in the atmospheric window are reported for CFC-11 and CFC-12. Data obtained with a grating spectrometer are compared with NCAR cross sections and measurements of k(v) made with a tunable diode laser spectrometer at various temperature-pressure combinations representing tangent heights or layers in the atmosphere are presented. The results are suitable for atmospheric remote sensing and global warming studies.
Absorption Coefficients of SF{6}, SF{4}, SOF{2} and SO{2}F{2} in the Vacuum Ultraviolet
NASA Astrophysics Data System (ADS)
Pradayrol, C.; Casanovas, A. M.; Deharo, I.; Guelfucci, J. P.; Casanovas, J.
1996-05-01
Absorption coefficients k0(m^{-1} 100 kPa^{-1}) of SF{6} and of its main gaseous by-products SF{4}, SOF{2} and SO{2}F{2} were measured in the VUV region. The experiments were carried out at a temperature of 298 K and a spectral resolution of 0.1 nm over the wavelength range 115 - 180 nm for SF{6}, 115 - 220 nm for SF{4}, 120 - 195 nm for SOF{2} and 120 - 210 nm for SO{2}F{2}. The highest absorption coefficient values were obtained for SF{4} and the lowest for SF{6}. Les coefficients d'absorption k0(m^{-1} 100 kPa^{-1}) du SF{6} et de ses principaux produits de décomposition gazeux, SF{4}, SOF{2} et SO{2}F{2} ont été mesurés dans le domaine de l'ultraviolet sous vide. Les expériences ont été réalisées à la température de 298 K avec une résolution de 0,1 nm dans la gamme 115 180 nm pour le SF{6}, 115 220 nm pour le SF{4}, 120 195 nm pour le SOF{2} et 120 210 nm pour le SO{2}F{2}. Les coefficients d'absorption les plus élevés ont été mesurés pour le SF{4} et les plus faibles pour le SF{6}.
NASA Technical Reports Server (NTRS)
Calvin, Wendy M.
1990-01-01
Reflectance spectra of carbon dioxide frosts were calculated using the optical constants provided by Warren (1986) for the wavelength region 2-6 microns. In comparing these calculated spectra to spectra of frosts observed in the laboratory and on the surface of Mars, problems in the optical constants presented by Warren (1986) became apparent. Absorption coefficients for CO2 ice have been derived using laboratory reflectance measurements and the Hapke (1981) model for calculating diffuse reflectance. This provides approximate values in regions where no data were previously available and indicates where corrections to the compilation by Warren (1986) are required. Using these coefficients to calculate the reflectance of CO2 ice at varying grain sizes indicates that a typical Mariner polar cap spectrum is dominated by absorptions due to CO2 frost or ice at grain sizes that are quite large, probably of the order of millimeters to centimeters. There are indications of contamination of water frost or dust, but confirmation will require more precise absorption coefficients for solid CO2 than can be obtained from the method used here.
NASA Technical Reports Server (NTRS)
Wan, Zhengming; Dozier, Jeff
1992-01-01
The effect of temperature-dependent molecular absorption coefficients on thermal infrared spectral signatures measured from satellite sensors is investigated by comparing results from the atmospheric transmission and radiance codes LOWTRAN and MODTRAN and the accurate multiple scattering radiative transfer model ATRAD for different atmospheric profiles. The sensors considered include the operational NOAA AVHRR and two research instruments planned for NASA's Earth Observing System (EOS): MODIS-N (Moderate Resolution Imaging Spectrometer-Nadir-Mode) and ASTER (Advanced Spaceborne Thermal Emission and Reflection Radiometer). The difference in band transmittance is as large as 6 percent for some thermal bands within atmospheric windows and more than 30 percent near the edges of these atmospheric windows. The effect of temperature-dependent molecular absorption coefficients on satellite measurements of sea-surface temperature can exceed 0.6 K. Quantitative comparison and factor analysis indicate that more accurate measurements of molecular absorption coefficients and better radiative transfer simulation methods are needed to achieve SST accuracy of 0.3 K, as required for global numerical models of climate, and to develop land-surface temperature algorithms at the 1-K accuracy level.
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.
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.
New potential energy surface for the HCS(+)-He system and inelastic rate coefficients.
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.
NASA Technical Reports Server (NTRS)
Mogro-Campero, A.; Fillius, W.
1976-01-01
The process of trapped particle absorption by the inner Jovian satellites is considered in detail taking into account both the particle and satellite motions in a magnetic dipole field which is displaced from the center of the planet and tilted with respect to the planetary rotation axis. An expression is derived for computing the sweeping time at a given satellite, defined as the time required for the satellite to sweep up a given fraction of the trapped particles within its sweeping region. By making use of the sweeping time and the radial diffusion equation of particle transport approximate expressions for the diffusion coefficient are derived. Measurements obtained by Pioneer 10 are then used to obtain estimates of the diffusion coefficient at the orbits of Io and Europa. We find that the diffusion coefficient is a function of energy and magnetic latitude for electrons in the energy range 0.7-14 MeV.
Li, Xiqing; Johnson, William P
2005-03-15
The transport of carboxylate-modified polystyrene latex microspheres was examined in packed quartz sand under a variety of environmentally relevant ionic strength and flow conditions. The retained concentrations of microspheres in the sediment increased first, and then decreased with transport distance, indicating that the deposition rate coefficient changed nonmonotonically over the transport distance. This finding demonstrates the ubiquity of spatial variation in deposition rate coefficients under unfavorable deposition conditions, and in addition indicates that the previously recognized monotonic decrease with transport distance is not the sole form of spatial variations in deposition rate coefficients. In contrast, the deposition rate coefficients of similarly sized microspheres with different surface group densities were shown to decrease monotonically with transport distance in the same porous media, indicating that the form of spatial variation in deposition rate coefficient is highly sensitive to system conditions. The ubiquity and sensitivity of the spatial variation of deposition rate coefficients indicate that current practices that utilize log-linear extrapolation of discreet measurements of colloid attenuation to determine colloid removal with distance from source are not valid (for both biological and nonbiological colloids). The retained colloid profiles hold the promise to reveal processes governing colloid deposition under unfavorable conditions that are yet to be identified.
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.
Correlation between nasal membrane permeability and nasal absorption rate.
Zhang, Hefei; Lin, Chih-Wei; Donovan, Maureen D
2013-03-01
The objective of this study was to investigate the relationship between in vitro permeability (Papp) values obtained from isolated nasal tissues and the absorption rates (ka) of the same compounds following nasal administration in animals and humans. The Papp of a set of 11 drug compounds was measured using animal nasal explants and plasma time-concentration profiles for each of the same compounds following intravenous (IV) and intranasal (IN) administration were experimentally determined or obtained from literature reports. The plasma clearance was estimated from the IV plasma time-concentration profiles, and ka was determined from the IN plasma time-concentration profiles using a deconvolution approach. The level of correlation between Papp and ka was established using Pearson correlation analysis. A good correlation (r=0.77) representing a point-to-point relationship for each of the compounds was observed. This result indicates that the nasal absorption for many drug candidates can be estimated from a readily measured in vitro Papp value. PMID:23225081
HTO washout model: on the relationship between exchange rate and washout coefficient
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.
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.
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.
NASA Astrophysics Data System (ADS)
Romonosky, Dian E.; Ali, Nujhat N.; Saiduddin, Mariyah N.; Wu, Michael; Lee, Hyun Ji (Julie); Aiona, Paige K.; Nizkorodov, Sergey A.
2016-04-01
Mass absorption coefficient (MAC) values were measured for secondary organic aerosol (SOA) samples produced by flow tube ozonolysis and smog chamber photooxidation of a wide range of volatile organic compounds (VOC), specifically: α-pinene, β-pinene, β-myrcene, d-limonene, farnesene, guaiacol, imidazole, isoprene, linalool, ocimene, p-xylene, 1-methylpyrrole, and 2-methylpyrrole. Both low-NOx and high-NOx conditions were employed during the chamber photooxidation experiments. MAC values were converted into effective molecular absorption cross sections assuming an average molecular weight of 300 g/mol for SOA compounds. The upper limits for the effective photolysis rates of SOA compounds were calculated by assuming unity photolysis quantum yields and convoluting the absorption cross sections with a time-dependent solar spectral flux. A more realistic estimate for the photolysis rates relying on the quantum yield of acetone was also obtained. The results show that condensed-phase photolysis of SOA compounds can potentially occur with effective lifetimes ranging from minutes to days, suggesting that photolysis is an efficient and largely overlooked mechanism of SOA aging.
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.
Ritter, André; Anton, Gisela; Weber, Thomas
2016-01-01
A maximum-likelihood reconstruction technique for X-ray Talbot-Lau tomography is presented. This technique allows the iterative simultaneous reconstruction of discrete distributions of absorption coefficient, refractive index and a dark-field scattering coefficient. This technique avoids prior phase retrieval in the tomographic projection images and thus in principle allows reconstruction from tomographic data with less than three phase steps per projection. A numerical phantom is defined which is used to evaluate convergence of the technique with regard to photon statistics and with regard to the number of projection angles and phase steps used. It is shown that the use of a random phase sampling pattern allows the reconstruction even for the extreme case of only one single phase step per projection. The technique is successfully applied to measured tomographic data of a mouse. In future, this reconstruction technique might also be used to implement enhanced imaging models for X-ray Talbot-Lau tomography. These enhancements might be suited to correct for example beam hardening and dispersion artifacts and improve overall image quality of X-ray Talbot-Lau tomography. PMID:27695126
NASA Astrophysics Data System (ADS)
Yamaguchi, H.; Takamori, K.; Perrier, P.; Graur, I.; Matsuda, Y.; Niimi, T.
2016-09-01
The viscous slip coefficient for helium-argon binary gas mixture is extracted from the experimental values of the mass flow rate through a microtube. The mass flow rate is measured by the constant-volume method. The viscous slip coefficient was obtained by identifying the measured mass flow rate through a microtube with the corresponding analytical expression, which is a function of the Knudsen number. The measurements were carried out in the slip flow regime where the first-order slip boundary condition can be applied. The measured viscous slip coefficients of binary gas mixtures exhibit a concave function of the molar ratio of the mixture, showing a similar profile with numerical results. However, from the detailed comparison between the measured and numerical values with the complete and incomplete accommodation at a surface, it is inappropriate to estimate the viscous slip coefficient for the mixture numerically by employing separately measured tangential momentum accommodation coefficient for each component. The time variation of the molar ratio in the downstream chamber was measured by sampling the gas from the chamber using the quadrupole mass spectrometer. In our measurements, it is indicated that the volume flow rate of argon is larger than that of helium because of the difference in the tangential momentum accommodation coefficient.
Bendib, A.; Tahraoui, A.; Bendib, K.; Mohammed El Hadj, K.; Hueller, S.
2005-03-01
The transport coefficients of fully ionized plasmas under the influence of a high-frequency electric field are derived solving numerically the electron Fokker-Planck equation using a perturbation method, parametrized as a function of the electron mean-free-path {lambda}{sub ei} compared to the spatial scales L. The isotropic and anisotropic contributions of the inverse bremsstrahlung heating are considered. Electron-electron collision terms are kept in the analysis, which allows us to consider with sufficient accuracy to describe plasmas with arbitrary atomic number Z. Practical numerical fits of the transport coefficients are proposed as functions of Z and the collisionality parameter {lambda}{sub ei}/L.
Elementary reaction rate measurements at high temperatures by tunable-laser flash-absorption
Hessler, J.P.
1993-12-01
The major objective of this program is to measure thermal rate coefficients and branching ratios of elementary reactions. To perform these measurements, the authors constructed an ultrahigh-purity shock tube to generate temperatures between 1000 and 5500 K. The tunable-laser flash-absorption technique is used to measure the rate of change of the concentration of species which absorb below 50,000 cm{sup {minus}1} e.g.: OH, CH, and CH{sub 3}. This technique is being extended into the vacuum-ultraviolet spectral region where one can measure atomic species e.g.: H, D, C, O, and N; and diatomic species e.g.: O{sub 2}, CO, and OH.
NASA Astrophysics Data System (ADS)
Riddick, Caitlin A. L.; Hunter, Peter D.; Tyler, Andrew N.; Martinez-Vicente, Victor; Horváth, Hajnalka; Kovács, Attila W.; Vörös, Lajos; Preston, Tom; Présing, Mátyás.
2015-10-01
In order to improve robustness of remote sensing algorithms for lakes, it is vital to understand the variability of inherent optical properties (IOPs) and their mass-specific representations (SIOPs). In this study, absorption coefficients for particulate and dissolved constituents were measured at 38 stations distributed over a biogeochemical gradient in Lake Balaton, Hungary. There was a large range of phytoplankton absorption (aph(λ)) over blue and red wavelengths (aph(440) = 0.11-4.39 m-1, aph(675) = 0.048-2.52 m-1), while there was less variability in chlorophyll-specific phytoplankton absorption (a*ph(λ)) in the lake (a*ph(440) = 0.022 ± 0.0046 m2 mg-1, a*ph(675) = 0.010 ± 0.0020 m2 mg-1) and adjoining wetland system, Kis-Balaton (a*ph(440) = 0.017 ± 0.0015 m2 mg-1, a*ph(675) = 0.0088 ± 0.0017 m2 mg-1). However, in the UV, a*ph(350) significantly increased with increasing distance from the main inflow (Zala River). This was likely due to variable production of photoprotective pigments (e.g., MAAs) in response to the decreasing gradient of colored dissolved organic matter (CDOM). The slope of CDOM absorption (SCDOM) also increased from west to east due to larger terrestrial CDOM input in the western basins. Absorption by nonalgal particles (aNAP(λ)) was highly influenced by inorganic particulates, as a result of the largely mineral sediments in Balaton. The relative contributions to the absorption budget varied more widely than oceans with a greater contribution from NAP (up to 30%), and wind speed affected the proportion attributed to NAP, phytoplankton, or CDOM. Ultimately, these data provide knowledge of the heterogeneity of (S)IOPs in Lake Balaton, suggesting the full range of variability must be considered for future improvement of analytical algorithms for constituent retrieval in inland waters.
NASA Astrophysics Data System (ADS)
Smagin, N. V.; Krutyansky, L. M.; Zelenova, Z. V.; Brysev, A. P.
2014-03-01
Acoustic absorption has been measured in a series of biological tissue specimens—porcine muscle, renal and fat tissues—by the standard insert-substitution method, as well as by ultrasonic phase conjugation. Comparison of the experimental results and revealed differences confirm the promise of using phase conjugate waves to measure acoustic losses in biological objects. It is demonstrated that in inhomogeneous tissues, the phase conjugation method makes it possible to obtain a more reliable estimate of dissipative losses.
NASA Astrophysics Data System (ADS)
Pérez Reyes, Ma. C.; Hernandez-Aguilar, C.; Dominguez-Pacheco, A.; Cruz-Orea, A.; Moreno Martínez, E.
2015-09-01
Laser light as a biostimulator has been applied in agriculture, and some scientific reports evidence its usefulness. A knowledge about seed optical parameters is of great relevance in the biostimulation process, because information can be provided about the light absorption of seeds. Thus, the objective of the present study was to determine the optical absorption coefficient (β ) of barley ( Hordeum vulgare L.) seeds by means of photoacoustic spectroscopy; these seeds were studied in two conditions: seeds in their natural color and seeds dyed with methylene blue. The seeds were biostimulated by a laser beam (650 nm wavelength) to evaluate the effects of pre-sowing biostimulation in natural mycobiota associated with different laser irradiation times (0 s, 60 s, 120 s, 240 s, and 480 s). The results of this research demonstrated changes in the optical parameters (absorption and penetration) that occur in the seeds by changing the natural condition to a dyed condition. The dyed seeds, by the methylene blue photosensitizer, become optically opaque, producing greater optical absorption at 650 nm which causes an increase in the effect of laser stimulation. The experimental results showed that the biggest mycobiota reduction (52 %) corresponded to dyed seeds irradiated with a laser for 120 s.
NASA Astrophysics Data System (ADS)
Song, L.; Balakrishnan, N.; Walker, K. M.; Stancil, P. C.; Thi, W. F.; Kamp, I.; van der Avoird, A.; Groenenboom, G. C.
2015-11-01
We present calculated rate coefficients for ro-vibrational transitions of CO in collisions with H atoms for a gas temperature range of 10 K ≤ T ≤ 3000 K, based on the recent three-dimensional ab initio H-CO interaction potential of Song et al. Rate coefficients for ro-vibrational v=1,j=0-30\\to v\\prime =0,j\\prime transitions were obtained from scattering cross sections previously computed with the close-coupling (CC) method by Song et al. Combining these with the rate coefficients for vibrational v=1-5\\to v\\prime \\lt v quenching obtained with the infinite-order sudden approximation, we propose a new extrapolation scheme that yields the rate coefficients for ro-vibrational v=2-5,j=0-30\\to v\\prime ,j\\prime de-excitation. Cross sections and rate coefficients for ro-vibrational v=2,j=0-30\\to v\\prime =1,j\\prime transitions calculated with the CC method confirm the effectiveness of this extrapolation scheme. Our calculated and extrapolated rates are very different from those that have been adopted in the modeling of many astrophysical environments. The current work provides the most comprehensive and accurate set of ro-vibrational de-excitation rate coefficients for the astrophysical modeling of the H-CO collision system. The application of the previously available and new data sets in astrophysical slab models shows that the line fluxes typically change by 20%-70% in high temperature environments (800 K) with an H/H2 ratio of 1; larger changes occur for lower temperatures.
OH reaction rate constants and UV absorption cross-sections of unsaturated esters
NASA Astrophysics Data System (ADS)
Teruel, M. A.; Lane, S. I.; Mellouki, A.; Solignac, G.; Le Bras, G.
Absolute rate coefficients have been determined for the gas-phase reactions of hydroxyl radicals with methyl acrylate ( k1), methyl methacrylate ( k2) and ethyl acrylate ( k3). Experiments were performed using two different techniques, the relative rate method and the pulsed laser photolysis-laser induced fluorescence technique. The kinetic data obtained were used to derive the following Arrhenius expressions in the temperature range 253-374 K (in units of cm 3 molecule -1 s -1): k1=(2.0±0.8)×10exp[(553±51)/T], k2=(2.5±0.8)×10exp[(821±55)/T], k3=(2.3±0.8)×10exp[(580±65)/T]. At 298 K, the reaction rate constants obtained by the two methods were in good agreement. In addition, the UV absorption spectra for the three unsaturated esters have been determined at (298±2) K and the absorption cross-sections in the wavelength region 215-298 nm were reported. The results are presented, discussed and used to estimate the atmospheric lifetimes for the studied esters.
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.
Generalized Treanor-Marrone model for state-specific dissociation rate coefficients
NASA Astrophysics Data System (ADS)
Kunova, O.; Kustova, E.; Savelev, A.
2016-08-01
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 its parameter 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. Non-equilibrium kinetics of O2/O and N2/N mixtures under heat bath conditions is studied; applying the optimized Treanor-Marrone model leads to more efficient dissociation and vibrational relaxation.
NASA Technical Reports Server (NTRS)
Wolynes, Peter G.
1987-01-01
Nonadiabatic transitions are central to many areas of chemical and condensed matter physics, ranging from biological electron transfer to the optical properties of one-dimensional conductors. Here, a path integral Monte Carlo method is used to simulate such transitions, based on the observation that nonadiabatic rate coefficients are often dominated by saddle point trajectories that correspond to an imaginary time. Simple analytic theories can be used to continue these imaginary time correlation functions to determine rate coefficients. The advantages and drawbacks of this approach are discussed.
NASA Technical Reports Server (NTRS)
Torr, D. G.; Torr, M. R.
1978-01-01
The large data base of aeronomic parameters measured by the Atmosphere Explorer C, D, and E satellites since December 1973 has been used to determine a number of reaction rate coefficients highly relevant to our understanding of thermospheric chemistry. In this paper the results are reviewed for ionic rate coefficients for recombination of NO(+), O2(+), for reactions of O(+) + N2, N2(+) + O, and O(++) + O, and for various reactions involving O(+)(2D) and O(+)(2P) ions with O and N2.
Kinetic models for coagulation processes: determination of rate coefficients in vivo
NASA Astrophysics Data System (ADS)
Pearce, John A.; Cheong, Wai-Fung; Pandit, Kirit; McMurray, Tom J.; Thomsen, Sharon L.
1991-06-01
Kinetic models of thermal damage in tissues can be used to describe histologic end points obtained with laser irradiation. In this study, thermographic measurements of skin surface temperature distributions during laser impingement were used to derive a temperature history for the lesion site. Lesions were evaluated at 48 h after laser irradiation to determine the radius of purpura formation. The temperature histories at the maximum radius of purpura formation (threshold temperatures) were analyzed and plotted on Arrhenius axes to estimate rate coefficients for the process. As expected, transient in vivo thermal history data yielded a noisy Arrhenius plot; however, estimates of the appropriate rate coefficients for purpura formation in vivo could be made.
Kabi, Sanjib; Perera, A. G. Unil
2015-03-28
The intersublevel absorption peak energy and absorption coefficient of non-uniform quantum dot (QD) ensembles are calculated analytically. The effect of size variations and size distribution of QDs on their energy states is analyzed. The dots are considered as a quantum box with finite potential at the barriers and the size distribution described by a Gaussian function. The influence of the aspect ratio (base to height ratio) of the QDs on the optical transitions is studied. Our model predicts the dot size (height and base) accurately to determine the absorption peaks and corresponding absorption coefficient. We also compute the absorption coefficient of the QD with different size distributions to verify the results calculated using this model with the reported experimental and other theoretical results.
Semiempirical method of determining flow coefficients for pitot rake mass flow rate measurements
NASA Technical Reports Server (NTRS)
Trefny, C. J.
1985-01-01
Flow coefficients applicable to area-weighted pitot rake mass flow rate measurements are presented for fully developed, turbulent flow in an annulus. A turbulent velocity profile is generated semiempirically for a given annulus hub-to-tip radius ratio and integrated numerically to determine the ideal mass flow rate. The calculated velocities at each probe location are then summed, and the flow rate as indicated by the rake is obtained. The flow coefficient to be used with the particular rake geometry is subsequently obtained by dividing the ideal flow rate by the rake-indicated flow rate. Flow coefficients ranged from 0.903 for one probe placed at a radius dividing two equal areas to 0.984 for a 10-probe area-weighted rake. Flow coefficients were not a strong function of annulus hub-to-tip radius ratio for rakes with three or more probes. The semiempirical method used to generate the turbulent velocity profiles is described in detail.
NASA Astrophysics Data System (ADS)
Consalvi, J. L.; Nmira, F.
2016-03-01
The main objective of this article is to quantify the influence of the soot absorption coefficient-Planck function correlation on radiative loss and flame structure in an oxygen-enhanced propane turbulent diffusion flame. Calculations were run with and without accounting for this correlation by using a standard k-ε model and the steady laminar flamelet model (SLF) coupled to a joint Probability Density Function (PDF) of mixture fraction, enthalpy defect, scalar dissipation rate, and soot quantities. The PDF transport equation is solved by using a Stochastic Eulerian Field (SEF) method. The modeling of soot production is carried out by using a flamelet-based semi-empirical acetylene/benzene soot model. Radiative heat transfer is modeled by using a wide band correlated-k model and turbulent radiation interactions (TRI) are accounted for by using the Optically-Thin Fluctuation Approximation (OTFA). Predicted soot volume fraction, radiant wall heat flux distribution and radiant fraction are in good agreement with the available experimental data. Model results show that soot absorption coefficient and Planck function are negatively correlated in the region of intense soot emission. Neglecting this correlation is found to increase significantly the radiative loss leading to a substantial impact on flame structure in terms of mean and rms values of temperature. In addition mean and rms values of soot volume fraction are found to be less sensitive to the correlation than temperature since soot formation occurs mainly in a region where its influence is low.
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).
Dielectronic recombination rate coefficients for the CoI isoelectronic sequence
NASA Astrophysics Data System (ADS)
Meng, Fan-Chang; Zhou, Li; Huang, Min; Chen, Chong-Yang; Wang, Yan-Sen; Zou, Ya-Ming
2009-05-01
In our recent reports (2007 J. Phys. B: At. Mol. Opt. Phys. 40 4269-86 and 2008 J. Quant. Spectrosc. Radiat. Transfer 109 2000-2008), we performed detailed and large-scale ab initio calculations on the total dielectronic recombination (DR) rate coefficients for Co-like gold and tungsten. Here we extend the calculations for another eight ions (Kr9+, Mo15+, Ag20+, Xe27+, Pr32+, Dy39+, At58+ and U65+) along the CoI isoelectronic sequence in the ground state employing the flexible atomic code. The total DR rates mainly come from complex series 3d84ln'l' and 3p53d94ln'l'. The complex series 3p53d10n'l' and 3d85ln'l' also contribute significantly at low (<0.1EI, EI is the ionization energy of the corresponding Ni-like ions) and high (>1.0EI) electron temperatures, respectively. On the basis of the calculated results, a general analytic formula for the total DR rate coefficients of all the ions along the CoI isoelectronic sequence is constructed. This formula can generally reproduce the calculated DR rate coefficients to within 3% for electron temperatures above 0.1EI. Comparisons of the present results with those obtained from the commonly used Burgess-Merts (BM) semiempirical formula show that the BM formula is not adequate to predict the total DR rate coefficients at relatively low electron temperatures and for low-Z ions. In addition, the total DR rate coefficients from the first excited state are also presented.
NASA Astrophysics Data System (ADS)
Kim, J. H.; Kim, S. W.; Yoon, S. C.; Park, R.; Ogren, J. A.
2014-12-01
Filter-based instrument, such as aethalometer, is being widely used to measure equivalent black carbon(EBC) mass concentration and aerosol absorption coefficient(AAC). However, many other previous studies have poited that AAC and its aerosol absorption angstrom exponent(AAE) are strongly affected by the multi-scattering correction factor(C) when we retrieve AAC from aethalometer EBC mass concentration measurement(Weingartner et al., 2003; Arnott et al., 2005; Schmid et al., 2006; Coen et al., 2010). We determined the C value using the method given in Weingartner et al. (2003) by comparing 7-wavelngth aethalometer (AE-31, Magee sci.) to 3-wavelength Photo-Acoustic Soot Spectrometer (PASS-3, DMT) at Gosan climate observatory, Korea(GCO) during Cheju ABC plume-asian monsoon experiment(CAPMEX) campaign(August and September, 2008). In this study, C was estimated to be 4.04 ± 1.68 at 532 nm and AAC retrieved with this value was decreased as approximately 100% as than that retrieved with soot case value from Weingartner et al (2003). We compared the AAC determined from aethalomter measurements to that from collocated Continuous Light Absorption Photometer (CLAP) measurements from January 2012 to December 2013 at GCO and found good agreement in both AAC and AAE. This result suggests the determination of site-specific C is crucially needed when we calculate AAC from aethalometer measurements.
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.
Global rate coefficients for ionization and recombination of carbon, nitrogen, oxygen, and argon
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.
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
Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactions.
Zhou, H X; Szabo, A
1996-01-01
A general formalism is developed for calculating the time-dependent rate coefficient k(t) of an irreversible diffusion-influenced reaction. This formalism allows one to treat most factors that affect k(t), including rotational Brownian motion and conformational gating of reactant molecules and orientation constraint for product formation. At long times k(t) is shown to have the asymptotic expansion k(infinity)[1 + k(infinity) (pie Dt)-1/2 /4 pie D + ...], where D is the relative translational diffusion constant. An approximate analytical method for calculating k(t) is presented. This is based on the approximation that the probability density of the reactant pair in the reactive region keeps the equilibrium distribution but with a decreasing amplitude. The rate coefficient then is determined by the Green function in the absence of chemical reaction. Within the framework of this approximation, two general relations are obtained. The first relation allows the rate coefficient for an arbitrary amplitude of the reactivity to be found if the rate coefficient for one amplitude of the reactivity is known. The second relation allows the rate coefficient in the presence of conformational gating to be found from that in the absence of conformational gating. The ratio k(t)/k(0) is shown to be the survival probability of the reactant pair at time t starting from an initial distribution that is localized in the reactive region. This relation forms the basis of the calculation of k(t) through Brownian dynamics simulations. Two simulation procedures involving the propagation of nonreactive trajectories initiated only from the reactive region are described and illustrated on a model system. Both analytical and simulation results demonstrate the accuracy of the equilibrium-distribution approximation method. PMID:8913584
Camper, Anne K.; Hayes, Jason T.; Sturman, Paul J.; Jones, Warren L.; Cunningham, Alfred B.
1993-01-01
Three strains of Pseudomonas fluorescens with different motility rates and adsorption rate coefficients were injected into porous-medium reactors packed with l-mm-diameter glass spheres. Cell breakthrough, time to peak concentration, tailing, and cell recovery were measured at three interstitial pore velocities (higher than, lower than, and much lower than the maximal bacterial motility rate). All experiments were done with distilled water to reduce the effects of growth and chemotaxis. Contrary to expectations, motility did not result in either early breakthrough or early time to peak concentration at flow velocities below the motility rate. Bacterial size exclusion effects were shown to affect breakthrough curve shape at the very low flow velocity, but no such effect was seen at the higher flow velocity. The tendency of bacteria to adsorb to porous-medium surfaces, as measured by adsorption rate coefficients, profoundly influenced transport characteristics. Cell recoveries were shown to be correlated with the ratio of advective to adsorptive transport in the reactors. Adsorption rate coefficients were found to be better predictors of microbial transport phenomena than individual characteristics, such as size, motility, or porous-medium hydrodynamics. PMID:16349075
Absorption coefficients of the methane-nitrogen binary ice system: Implications for Pluto
NASA Astrophysics Data System (ADS)
Protopapa, S.; Grundy, W. M.; Tegler, S. C.; Bergonio, J. M.
2015-06-01
The methane-nitrogen phase diagram of Prokhvatilov and Yantsevich (1983. Sov. J. Low Temp. Phys. 9, 94-98) indicates that at temperatures relevant to the surfaces of icy dwarf planets like Pluto, two phases contribute to the methane absorptions: nitrogen saturated with methane N2 ‾ :CH4 and methane saturated with nitrogen CH4 ‾ :N2 . No optical constants are available so far for the latter component limiting construction of a proper model, in compliance with thermodynamic equilibrium considerations. New optical constants for solid solutions of methane diluted in nitrogen (N2 :CH4) and nitrogen diluted in methane (CH4 :N2) are presented at temperatures between 40 and 90 K, in the wavelength range 1.1-2.7 μm at different mixing ratios. These optical constants are derived from transmission measurements of crystals grown from the liquid phase in closed cells. A systematic study of the changes of methane and nitrogen solid mixtures spectral behavior with mixing ratio and temperature is presented.
NASA Astrophysics Data System (ADS)
McKee, David; Röttgers, Rüdiger; Neukermans, Griet; Calzado, Violeta Sanjuan; Trees, Charles; Ampolo-Rella, Marina; Neil, Claire; Cunningham, Alex
2014-12-01
Understanding variability in the chlorophyll-specific absorption of marine phytoplankton, aph*Chl (λ), is essential for primary production modelling, calculation of underwater light field characteristics, and development of algorithms for remote sensing of chlorophyll concentrations. Previous field and laboratory studies have demonstrated significant apparent variability in aph*Chl (λ) for natural samples and algal cultures. However, the potential impact of measurement uncertainties on derived values of aph*Chl (λ) has received insufficient study. This study presents an analysis of measurement uncertainties for a data set collected in the Ligurian Sea in Spring and assesses the impact on estimates of aph*Chl (λ). It is found that a large proportion of apparent variability in this set of aph*Chl (λ) can be attributed to measurement errors. Application of the same analysis to the global NOMAD data set suggests that a significant fraction of variability in aph*Chl (λ) may also be due to measurement errors. The copyright line for this article was changed on 16 JAN 2015 after original online publication.
Cuppo, F L S; Gómez, S L; Figueiredo Neto, A M
2004-04-01
In this paper is reported a systematic experimental study of the linear-optical-absorption coefficient of ferrofluid-doped isotropic lyotropic mixtures as a function of the magnetic-grains concentration. The linear optical absorption of ferrolyomesophases increases in a nonlinear manner with the concentration of magnetic grains, deviating from the usual Beer-Lambert law. This behavior is associated to the presence of correlated micelles in the mixture which favors the formation of small-scale aggregates of magnetic grains (dimers), which have a higher absorption coefficient with respect to that of isolated grains. We propose that the indirect heating of the micelles via the ferrofluid grains (hyperthermia) could account for this nonlinear increase of the linear-optical-absorption coefficient as a function of the grains concentration.
NASA Astrophysics Data System (ADS)
El Kadadra, A.; Fellaoui, K.; Abouelaoualim, D.; Oueriagli, A.
2016-09-01
In this work, we have investigated theoretically the effects of applied electric field on the linear and nonlinear optical properties in a GaN/AlxGa1-xN double inverse parabolic quantum well for different Al concentrations at the well center. Our calculations are based on the potential morphing method in the effective mass approximation. The systematic theoretical investigation contains results with all possible combinations of the involved parameters, such as quantum well width, quantum barrier width, Al concentration at each well center and magnitude of the external electric field. Our results show that the electric fields strengths, the parameter of nanostructure and incident optical intensity have a great effect on the optical characteristics of these nanostructures. Thus, the absorption coefficients which can be suitable for great performance optical modulators and multiple infrared optical device applications can be easily obtained by tuning the external electric field value and the Al concentration at the well center.
Falcao-Filho, E.L.; Araujo, Cid B. de; Bosco, C.A.C.; Maciel, G.S.; Acioli, L.H.; Nalin, M.; Messaddeq, Y.
2005-01-01
Antimony glasses based on the composition Sb{sub 2}O{sub 3}-SbPO{sub 4} were prepared and characterized. The samples present high refractive index, good transmission from 380 to 2000 nm, and high thermal stability. The nonlinear refractive index, n{sub 2}, of the samples was studied using the optical Kerr shutter technique at 800 nm. The third-order correlation signals between pump and probe pulses indicate ultrafast response (<100 fs) for all compositions. Enhancement of n{sub 2} was observed by adding lead oxide to the Sb{sub 2}O{sub 3}-SbPO{sub 4} composition. Large values of n{sub 2}{approx_equal}10{sup -14} cm{sup 2}/W and negligible two-photon absorption coefficients (smaller than 0.01 cm/GW) were determined for all samples. The glass compositions studied present appropriate figure-of-merit for all-optical switching applications.
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.
CO2 in the MLT: Constraining the CO2(υ2)-O Quenching Rate Coefficient.
NASA Astrophysics Data System (ADS)
Dawkins, E. C. M.; Kutepov, A. A.; Feofilov, A.; Janches, D.
2015-12-01
Carbon dioxide plays an important role in the terrestrial atmosphere, with infrared emission in the 15 μm CO2 band (I15μm) providing the dominant cooling mechanism in the mesosphere/lower thermosphere (MLT) region via interaction with atomic O. This CO2(υ2)-O quenching rate coefficient is poorly understood and current estimates vary by a factor 3-4, with a significant discrepancy between laboratory measurements and those provided by satellite remote sensing. However, the true value of this rate coefficient is of vital importance in understanding both the energetics of the MLT region and for temperatures retrievals from measurements of I15μm. This work builds upon and extends an existing methodology developed by Feofilov et al. (2012) who used TIMED/SABER satellite instrument data to retrieve the CO2(υ2)-O quenching rate coefficient using a synergy of atmospheric and ground-based lidar temperature measurements. Using the SABER overflights of the Fort Collins (CO) lidar, these authors derived the altitude variation of the CO2(υ2)-O quenching rate. The latter demonstrated deficiency of the current non-LTE model of the 15 μm CO2 emission which obviously misses some so far unknown mechanisms of non-thermal excitation of the CO2(υ2) vibrations. Current work involves several other lidar locations and is aimed at assessing whether there is a spatio-temporal variability component to this rate coefficient, and what this could reveal about these additional energy sources and sinks in the real atmosphere that are currently not accounted for in the non-LTE model.
NASA Astrophysics Data System (ADS)
Ferreira, Amabile; Ciotti, Áurea Maria; Coló Giannini, Maria Fernanda
2014-02-01
This study characterized the variability in magnitudes and spectral shapes of the absorption coefficients of phytoplankton, detritus, and colored dissolved organic matter (CDOM) in a dynamic bay (Santos Bay) in southeastern Brazil in response to the contributions of the main estuarine channel and large tide variations, therefore in different time scales. Two strategies were adopted: (1) monthly year-round sampling in the estuarine channel and Santos Bay and (2) sampling in Santos Bay during spring/neap tides and cold/warm months. Chlorophyll-a concentration and CDOM absorption were higher during warm (wet) months, while the relative contribution of organic and inorganic particles was driven by neap/spring tide cycles. Salinity partially accounted for changes in optical variables, especially for CDOM absorption and total suspended matter (TSM) during cold months and neap tides, respectively. The spectral shapes of detritus and CDOM absorption showed relatively little variability for the entire dataset and were not considered feasible for monitoring purposes. The spectral shape of phytoplankton absorption (index of cell size) varied broadly, with no remarkable dependence on the sampling conditions. Comparison of absorption coefficients measured by the Quantitative Filter Technique (QFT) and Transmittance Reflectance (TR) method showed higher phytoplankton coefficients toward longer visible wavelengths (flatter spectra) and shallower slopes of detritus absorption yielded by the TR method. Our results also suggest that measurements at the near red spectral region result from not only scattering signals but also non-algal particle absorption.
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).
NASA Astrophysics Data System (ADS)
Villanueva, Yolanda; Hondebrink, Erwin; Petersen, Wilma; Steenbergen, Wiendelt
2015-03-01
A method for simultaneously measuring the absorption coefficient μa and Grüneisen parameter Γ of biological absorbers in photoacoustics is designed and implemented using a coupled-integrating sphere system. A soft transparent tube with inner diameter of 0.58mm is used to mount the liquid absorbing sample horizontally through the cavity of two similar and adjacent integrating spheres. One sphere is used for measuring the sample's μa using a continuous halogen light source and a spectrometer fiber coupled to the input and output ports, respectively. The other sphere is used for simultaneous photoacoustic measurement of the sample's Γ using an incident pulsed light with wavelength of 750nm and a flat transducer with central frequency of 5MHz. Absolute optical energy and pressure measurements are not necessary. However, the derived equations for determining the sample's μa and Γ require calibration of the setup using aqueous ink dilutions. Initial measurements are done with biological samples relevant to biomedical imaging such as human whole blood, joint and cyst fluids. Absorption of joint and cyst fluids is enhanced using a contrast agent like aqueous indocyanine green dye solution. For blood sample, measured values of μa = 0.580 +/- 0.016 mm-1 and Γ = 0.166 +/- 0.006 are within the range of values reported in literature. Measurements with the absorbing joint and cyst fluid samples give Γ values close to 0.12, which is similar to that of water and plasma.
NASA Astrophysics Data System (ADS)
Wei, Jianwei; Lee, Zhongping; Ondrusek, Michael; Mannino, Antonio; Tzortziou, Maria; Armstrong, Roy
2016-03-01
The spectral slope of the absorption coefficient of colored dissolved and detrital material (CDM), Scdm (units: nm-1), is an important optical parameter for characterizing the absorption spectral shape of CDM. Although highly variable in natural waters, in most remote sensing algorithms, this slope is either kept as a constant or empirically modeled with multiband ocean color in the visible domain. In this study, we explore the potential of semianalytically retrieving Scdm with added ocean color information in the ultraviolet (UV) range between 360 and 400 nm. Unique features of hyperspectral remote sensing reflectance in the UV-visible wavelengths (360-500 nm) have been observed in various waters across a range of coastal and open ocean environments. Our data and analyses indicate that ocean color in the UV domain is particularly sensitive to the variation of the CDM spectral slope. Here, we used a synthesized dataset to show that adding UV wavelengths to the ocean color measurements will improve the retrieval of Scdm from remote sensing reflectance considerably, while the spectral band settings of past and current satellite ocean color sensors cannot fully account for the spectral variation of remote sensing reflectance. Results of this effort support the concept to include UV wavelengths in the next generation of satellite ocean color sensors.
NASA Astrophysics Data System (ADS)
Fukutomi, Daichi; Ishii, Katsunori; Awazu, Kunio
2016-04-01
The anisotropy factor g, one of the optical properties of biological tissues, has a strong influence on the calculation of the scattering coefficient μ s in inverse Monte Carlo (iMC) simulations. It has been reported that g has the wavelength and absorption dependence; however, few attempts have been made to calculate μ s using g values by taking the wavelength and absorption dependence into account. In this study, the angular distributions of scattered light for biological tissue phantoms containing hemoglobin as a light absorber were measured by a goniometric optical setup at strongly (405 nm) and weakly (664 nm) absorbing wavelengths to obtain g. Subsequently, the optical properties were calculated with the measured values of g by integrating sphere measurements and an iMC simulation, and compared with the results obtained with a conventional g value of 0.9. The μ s values with measured g were overestimated at the strongly absorbing wavelength, but underestimated at the weakly absorbing wavelength if 0.9 was used in the iMC simulation.
NASA Astrophysics Data System (ADS)
Zhong, Min; Jang, Myoseon
2011-08-01
A method for measuring an aerosol light absorption coefficient ( B a) has been developed using a conventional UV-visible spectrometer equipped with an integrating sphere covering a wide range of wavelengths (280-800 nm). The feasibility of the proposed method was evaluated in both the transmittance mode (TUV-IS) and the reflective mode (RUV-IS) using the reference aerosol known for the cross-sectional area. The aerosol was collected on a conventional filter and measured for B a values. The resulting RUV-IS method was applied to measure light absorption of secondary organic aerosol (SOA). SOA was produced through photooxidation of different precursor hydrocarbons such as toluene, d-limonene and α-pinene in the presence of NO x (60-70 ppb) and inorganic seed aerosol using a 2-m 3 indoor Teflon film chamber. Of the three precursor hydrocarbons, the B a value of toluene SOA (0.574 m 2 g -1 at 350 nm) was the highest compared with B a values for α-pinene SOA (0.029 m 2 g -1) and d-limonene SOA (0.038 m 2 g -1). When d-limonene SOA or toluene SOA was internally mixed with neutral [(NH 4) 2SO 4] or acidic inorganic seed (NH 4HSO 4:H 2SO 4 = 1:1 by mole), the SOA showed 2-3 times greater B a values at 350 nm than the SOA with no seed. Aerosol aging with a light source for this study reduced B a values of SOA (e.g., on average 10% for toluene SOA and 30% for d-limonene SOA within 4 h). Overall, weak absorption appeared for chamber-generated SOA over wavelengths ranging from 280 to 550 nm, which fall into the sunlight spectrum.
Rate-coefficients and polarization results for the electron-impact excitation of Ar+ ion
NASA Astrophysics Data System (ADS)
Srivastava, Rajesh; Dipti, Dipti
2016-05-01
A fully relativistic distorted wave theory has been employed to study the electron impact excitation in Ar+ ion. Results have been obtained for the excitation cross-sections and rate-coefficients for the transitions from the ground state 3p5 (J = 3/2) to fine-structure levels of excited states 3p4 4 s, 3p4 4 p , 3p4 5 s, 3p4 5 p, 3p4 3 d and 3p4 4 d. Polarization of the radiation following the excitation has been calculated using the obtained magnetic sub-level cross-sections. Comparison of the present rate-coefficients is also done with the previously reported theoretical results for some unresolved fine structure transitions. Work is supported by DAE-BRNS Mumbai and CSIR, New Delhi.
Recommended Thermal Rate Coefficients for the C + H3+ Reaction and Some Astrochemical Implications
NASA Astrophysics Data System (ADS)
Vissapragada, Shreyas; Buzard, Cam; Miller, Kenneth A.; O'Connor, Aodh; De Ruette, Nathalie; Urbain, Xavier; Savin, Daniel Wolf
2016-06-01
We have incorporated our experimentally derived thermal rate coefficients for C + H3+ 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 use instead 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 abundances, but at higher temperatures of 50, 100, and 300 K we find up to factor of 2 changes. Additionally, we find that the relatively small error on our measurements (~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.
Electron-impact excitation rate-coefficients and polarization of subsequent emission for Ar+ ion
NASA Astrophysics Data System (ADS)
Dipti; Srivastava, Rajesh
2016-06-01
Electron impact excitation in Ar+ ions has been studied by using fully relativistic distorted wave theory. Calculations are performed to obtain the excitation cross-sections and rate-coefficients for the transitions from the ground state 3p5 (J=3/2) to fine-structure levels of excited states 3p44s, 3p44p, 3p45s, 3p45p, 3p43d and 3p44d. Polarization of the radiation following the excitation has been calculated using the obtained magnetic sub-level cross-sections. Comparison of the present rate-coefficients is also done with the previously reported theoretical results for some unresolved fine structure transitions.
Zhang, Xi; Zheng, Shaodi; Zheng, Xiaofang; Liu, Zhengying; Yang, Wei; Yang, Mingbo
2016-03-21
In this article, the positive temperature coefficient (PTC) effect was studied for high-density polyethylene (HDPE)/carbon fiber (CF) composites. All of the samples showed a significant PTC effect during the heating processes without a negative temperature coefficient (NTC) effect, even at a temperature much higher than the melting point of the polymer matrix. An ever-increasing PTC intensity with increasing thermal cycles was observed in our study that had never been reported in previous research. The absence of a NTC effect resulted from the increased binding force between the matrix and fillers that contributed to the very special structure of CF surface. We incorporated thermal expansion theory and quantum tunneling effects to explain PTC effect. From the SEM micrographs for the HDPE/CF composites before and after the different thermal cycles, we found that the surface of CF was covered with a layer of polymer which resulted in a change in the gap length between CF and HDPE and its distribution. We believed that the gap change induced by polymer absorption on the fiber surface had a great effect on the PTC effect. PMID:26923428
NASA Astrophysics Data System (ADS)
Crawford, J.; Davis, D.; Chen, G.; Shetter, R.; Müller, M.; Barrick, J.; Olson, J.
1999-03-01
An assessment of the effects of clouds on photolysis rate coefficients was carried out using three different experimental methods involving two different aircraft platforms. This evaluation was based on data recorded during NASA's Pacific Exploratory Mission (PEM)-Tropics A program in August-October 1996. On the NASA DC-8, upward and downward looking J(NO2) filter radiometers and spectroradiometers were employed. For the NASA P-3B, the instrumentation consisted of Eppley radiometers. Although each aircraft typically sampled the same geographic region, coincident measurements occurred for only one brief period in the marine boundary layer near Christmas Island (2°N, 157°W). All three methods were compared for this flight period; however, only the J(NO2) filter radiometers and spectroradiometers could be compared for the entire campaign. For the Christmas Island sampling period, all three radiometric measurements disagreed in magnitude but exhibited trends consistent with model-calculated photolysis rate coefficients. Overall, the results showed that the J(NO2) filter radiometers and spectroradiometers exhibited a consistent disagreement of 30%, the J(NO2) filter radiometers being higher. Eppley-derived values of J(NO2) fell between those of the J(NO2) filter radiometers and spectroradiometers. An examination of the variation in J(O1D) and J(NO2) based on the output from the spectroradiometers and J(NO2) filter radiometers suggests that differences between each photolysis rate coefficient's response to cloud effects tend to be smaller than model uncertainties. Thus J(O1D) and other photolysis rate coefficients can be corrected for cloud effects based on the response of J(NO2).
Low-temperature rate coefficients for the reaction of ethynyl radical (C2H) with benzene.
Goulay, Fabien; Leone, Stephen R
2006-02-01
The reaction of the C2H radical with benzene is studied at low temperature using a pulsed Laval nozzle apparatus. The C2H radical is prepared by 193-nm photolysis of acetylene, and the C2H concentration is monitored using CH(A2Delta) chemiluminescence from the C2H + O2 reaction. Measurements at very low photolysis energy are performed using CF3C2H as the C2H precursor to study the influence of benzene photodissociation on the rate coefficient. Rate coefficients are obtained over a temperature range between 105 and 298 K. The average rate coefficient is found to be five times greater than the estimated value presently used in the photochemical modeling of Titan's atmosphere. The reaction exhibits a slight negative temperature dependence which can be fitted to the expression k(cm3 molecule(-1) s(-1)) = 3.28(+/-1.0) x 10(-10) (T/298)(-0.18(+/-0.18)). The results show that this reaction has no barrier and may play an important role in the formation of large molecules and aerosols at low temperature. Our results are consistent with the formation of a short lifetime intermediate that decomposes to give the final products.
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.
NASA Astrophysics Data System (ADS)
Power, J. F.
2003-01-01
The problem of depth profiling optical absorption in a thermally depth variable solid is a problem of direct interest for the analysis of complex structured materials. In this work, we introduce a new algorithm to solve this problem in a planar layered sample which is impulse irradiated. The sample is comprised of "N" model layers of thickness Δx, of constant diffusivity α, where the conductivity varies depth wise with each layer. This derivation extends to the general case of a depth variable thermal reflection coefficient with depth variable optical source density. In such a sample, at finite time, t, past excitation, thermal energy can only significantly penetrate NL model layers NL≈√4αt[-ln(ɛ)] /2Δx, where ɛ is a small error (ɛ⩽10-6) and a double transit through each layer is assumed. The depth profile of optical absorption in each layer, i, is approximated by δ(x-iΔx), weighted by the optical source density Si. The temperature at x=0- just inside a front medium contacting the sample is given by T(x=0,t)= ∑ i=12NL SiṡGR(x,x0=iΔx,t)]x=0, where GR(x,x0,t) represents an effective Green's function for optical absorption at the depth x0=iΔx in the sample. The method of images1 gives GR(x,x0=iΔx,t) in the following form: [GR(x,0Δx,t)GR(x,2Δx,t)…GR(x,2NLΔx,t)]=[A10A12 A14 A16 …..A1,2NL0A32A34 A36 …..A3,2NL….0……A2NL-1,2NL][G(x-0Δx,t)G(x-2Δx,t)……G(x-2NLΔx,t)]. The G(x-nΔx,t) are shifted image fields obtained from the infinite domain Green's function for one-dimensional heat conduction. They account for thermal wave reflection/transmission over the path length nΔx from the source (at interface i) to the surface (x=0). The Ain are lumped coefficients giving the efficiency of heat transmission from the ith source to the surface for each path order n. They are determined by a mapping procedure that identifies all propagation paths of each order, n, and computes the individual and lumped reflection coefficients. Equation (2) is
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.
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.
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.
Recombination and Electron Impact Excitation Rate Coefficients for S XV and S XVI
NASA Astrophysics Data System (ADS)
Mahmood, S.; Ali, S.; Orban, I.; Tashenov, S.; Lindroth, E.; Schuch, R.
2012-08-01
Recombination and electron impact excitation of S14+ and S15+ ions was measured at the Stockholm refrigerated electron beam ion trap. The collision energy range was 1.4-3 keV, in which we covered the KLL, KLM, KLN, and KLO dielectronic recombination resonances resulting in S13+ and S14+ ions. The recombination rates were obtained by detecting the charge state distribution with a newly developed time-of-flight technique. Resonance energies and cross-sections calculated within the relativistic many-body perturbation theory for S15+ agree well with the experimental data. The temperature-dependent rate coefficients were extracted from the measured rates and compared with calculations from the literature used for studies of collisionally ionized astrophysical plasmas. Good agreement for S15+ was obtained, while the plasma rates for S14+ were 23% lower than the current published values. In addition to the time-of-flight spectra, the X-ray spectra, produced mainly by photo-recombination and excitation, were also collected. The combination of these two measurements allowed us to separate the photo-recombination and the excitation spectra, and the excitation rate coefficients for summed intensities with known fractions of S14+ and S15+ ions were extracted.
NASA Astrophysics Data System (ADS)
Yahya, I.; Kusuma, J. I.; Harjana; Kristiani, R.; Hanina, R.
2016-02-01
This paper emphasizes the influence of tubular shaped microresonators phononic crystal insertion on the sound absorption coefficient of profiled sound absorber. A simple cubic and two different bodies centered cubic phononic crystal lattice model were analyzed in a laboratory test procedure. The experiment was conducted by using transfer function based two microphone impedance tube method refer to ASTM E-1050-98. The results show that sound absorption coefficient increase significantly at the mid and high-frequency band (600 - 700 Hz) and (1 - 1.6 kHz) when tubular shaped microresonator phononic crystal inserted into the tested sound absorber element. The increment phenomena related to multi-resonance effect that occurs when sound waves propagate through the phononic crystal lattice model that produce multiple reflections and scattering in mid and high-frequency band which increases the sound absorption coefficient accordingly
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.
NASA Astrophysics Data System (ADS)
Shatsky, A. V.
2016-07-01
We consider the problem of the influence of diffraction effects on the result of measuring the absorption coefficient of ultrasound in weakly absorbing liquids by the pulse method. Diffraction attenuation of an ultrasonic signal in a measuring cell using solid-state delay lines is calculated. It is shown that the use of delay lines of the ultrasonic signal leads to a considerable distortion of the measured absorption coefficient in the low-frequency range from the true value and can either overestimate or underestimate the results.
Tonoue, Ryota; Katsura, Makoto; Hamamoto, Mai; Bessho, Hiroki; Nakashima, Satoru
2014-01-01
A method was developed to obtain the absorption coefficient spectrum of a grain of coal (as small as 10(-7)) in the region of aliphatic and aromatic C-H stretching bands (2700-3200 cm(-1)) using infrared transflection microspectroscopy. In this method, the complex refractive index n - ik was determined using an optimization algorithm with the Kramers-Kronig transform so that the calculated transflection spectrum from the Fresnel equation corresponded to the measured one. The obtained absorption coefficients were compared with the bulk values determined from the potassium bromide (KBr) pellet measurement method.
Smith, Mica C; Chao, Wen; Takahashi, Kaito; Boering, Kristie A; Lin, Jim Jr-Min
2016-07-14
The unimolecular decomposition of (CH3)2COO and (CD3)2COO was measured by direct detection of the Criegee intermediate at temperatures from 283 to 323 K using time-resolved UV absorption spectroscopy. The unimolecular rate coefficient kd for (CH3)2COO shows a strong temperature dependence, increasing from 269 ± 82 s(-1) at 283 K to 916 ± 56 s(-1) at 323 K with an Arrhenius activation energy of ∼6 kcal mol(-1). The bimolecular rate coefficient for the reaction of (CH3)2COO with SO2, kSO2, was also determined in the temperature range 283 to 303 K. Our temperature-dependent values for kd and kSO2 are consistent with previously reported relative rate coefficients kd/kSO2 of (CH3)2COO formed from ozonolysis of tetramethyl ethylene. Quantum chemical calculations of kd for (CH3)2COO are consistent with the experiment, and the combination of experiment and theory for (CD3)2COO indicates that tunneling plays a significant role in (CH3)2COO unimolecular decomposition. The fast rates of unimolecular decomposition for (CH3)2COO measured here, in light of the relatively slow rate for the reaction of (CH3)2COO with water previously reported, suggest that thermal decomposition may compete with the reactions with water and with SO2 for atmospheric removal of the dimethyl-substituted Criegee intermediate.
NASA Astrophysics Data System (ADS)
Green, Rebecca E.; Gould, Richard W., Jr.; Ko, Dong S.
2008-06-01
We developed statistically-based, optical models to estimate tripton (sediment/detrital) and colored dissolved organic matter (CDOM) absorption coefficients ( a sd, a g) from physical hydrographic and atmospheric properties. The models were developed for northern Gulf of Mexico shelf waters using multi-year satellite and physical data. First, empirical algorithms for satellite-derived a sd and a g were developed, based on comparison with a large data set of cruise measurements from northern Gulf shelf waters; these algorithms were then applied to a time series of ocean color (SeaWiFS) satellite imagery for 2002-2005. Unique seasonal timing was observed in satellite-derived optical properties, with a sd peaking most often in fall/winter on the shelf, in contrast to summertime peaks observed in a g. Next, the satellite-derived values were coupled with the physical data to form multiple regression models. A suite of physical forcing variables were tested for inclusion in the models: discharge from the Mississippi River and Mobile Bay, Alabama; gridded fields for winds, precipitation, solar radiation, sea surface temperature and height (SST, SSH); and modeled surface salinity and currents (Navy Coastal Ocean Model, NCOM). For satellite-derived a sd and a g time series (2002-2004), correlation and stepwise regression analyses revealed the most important physical forcing variables. Over our region of interest, the best predictors of tripton absorption were wind speed, river discharge, and SST, whereas dissolved absorption was best predicted by east-west wind speed, river discharge, and river discharge lagged by 1 month. These results suggest the importance of vertical mixing (as a function of winds and thermal stratification) in controlling a sd distribution patterns over large regions of the shelf, in comparison to advection as the most important control on a g. The multiple linear regression models for estimating a sd and a g were applied on a pixel-by-pixel basis and
Rate coefficients, binding probabilities, and related quantities for area reactivity models
Prüstel, Thorsten; Meier-Schellersheim, Martin
2014-01-01
We further develop the general theory of the area reactivity model that describes the diffusion-influenced reaction of an isolated receptor-ligand pair in terms of a generalized Feynman-Kac equation and that provides an alternative to the classical contact reactivity model. Analyzing both the irreversible and reversible reaction, we derive the equation of motion of the survival probability as well as several relationships between single pair quantities and the reactive flux at the encounter distance. Building on these relationships, we derive the equation of motion of the many-particle survival probability for irreversible pseudo-first-order reactions. Moreover, we show that the usual definition of the rate coefficient as the reactive flux is deficient in the area reactivity model. Numerical tests for our findings are provided through Brownian Dynamics simulations. We calculate exact and approximate expressions for the irreversible rate coefficient and show that this quantity behaves differently from its classical counterpart. Furthermore, we derive approximate expressions for the binding probability as well as the average lifetime of the bound state and discuss on- and off-rates in this context. Throughout our approach, we point out similarities and differences between the area reactivity model and its classical counterpart, the contact reactivity model. The presented analysis and obtained results provide a theoretical framework that will facilitate the comparison of experiment and model predictions. PMID:25416882
Gas-phase reaction of ( E)-β-farnesene with ozone: Rate coefficient and carbonyl products
NASA Astrophysics Data System (ADS)
Kourtchev, Ivan; Bejan, Iustinian; Sodeau, John R.; Wenger, John C.
The gas-phase ozonolysis of ( E)-β-farnesene was investigated in a 3.91 m 3 atmospheric simulation chamber at 296 ± 2 K and relative humidity of around 0.1%. The relative rate method was used to determine the reaction rate coefficient of (4.01 ± 0.17) × 10 -16 cm 3 molecule -1 s -1, where the indicated errors are two least-squares standard deviations and do not include uncertainties in the rate coefficients for the reference compounds (γ-terpinene, cis-cyclooctene and 1,5-cyclooctadiene). Gas phase carbonyl products were collected using a denuder sampling technique and analyzed with GC/MS following derivatization with O-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine (PFBHA). The reaction products detected were acetone, 4-oxopentanal, methylglyoxal, 4-methylenehex-5-enal, 6-methylhept-5-en-2-one, and ( E)-4-methyl-8-methylenedeca-4,9-dienal. A detailed mechanism for the gas-phase ozonolysis of ( E)-β-farnesene is proposed, which accounts for all of the products observed in this study. The results of this work indicate that the atmospheric reaction of ( E)-β-farnesene with ozone has a lifetime of around 1 h and is another possible source of the ubiquitous carbonyls, acetone, 4-oxopentanal and 6-methylhept-5-en-2-one in the atmosphere.
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
Rate coefficients, binding probabilities, and related quantities for area reactivity models.
Prüstel, Thorsten; Meier-Schellersheim, Martin
2014-11-21
We further develop the general theory of the area reactivity model that describes the diffusion-influenced reaction of an isolated receptor-ligand pair in terms of a generalized Feynman-Kac equation and that provides an alternative to the classical contact reactivity model. Analyzing both the irreversible and reversible reaction, we derive the equation of motion of the survival probability as well as several relationships between single pair quantities and the reactive flux at the encounter distance. Building on these relationships, we derive the equation of motion of the many-particle survival probability for irreversible pseudo-first-order reactions. Moreover, we show that the usual definition of the rate coefficient as the reactive flux is deficient in the area reactivity model. Numerical tests for our findings are provided through Brownian Dynamics simulations. We calculate exact and approximate expressions for the irreversible rate coefficient and show that this quantity behaves differently from its classical counterpart. Furthermore, we derive approximate expressions for the binding probability as well as the average lifetime of the bound state and discuss on- and off-rates in this context. Throughout our approach, we point out similarities and differences between the area reactivity model and its classical counterpart, the contact reactivity model. The presented analysis and obtained results provide a theoretical framework that will facilitate the comparison of experiment and model predictions. PMID:25416882
NASA Astrophysics Data System (ADS)
Wojnárovits, László; Takács, Erzsébet
1999-08-01
The OH radical induced oligomerization in dilute aqueous solution of ethyl- and 2-hydroxypropyl acrylate, methyl- and 2-hydroxypropyl methacrylate, acrylamide and methacrylamide, ethyl-fumarate and maleate was investigated by pulse- and steady-state radiolysis. In pulse radiolysis the reactions were observed by measuring the absorbance of the α-carboxyalkyl type radicals. At low concentration (⩽1 mmol dm -3) the radicals decay in self-termination. At higher concentration there is a significant deviation from the simple second order behavior due to oligomerization. Computer programs were used to calculate the rate coefficients of propagation and termination at the beginning of oligomerization.
On the accuracy of the rate coefficients used in plasma fluid models for breakdown in air
NASA Astrophysics Data System (ADS)
Kourtzanidis, Konstantinos; Raja, Laxminarayan L.
2016-07-01
The electrical breakdown of air depends on the balance between creation and loss of charged particles. In fluid models, datasets of the rate coefficients used are obtained either from fits to experimental data or by solutions of the Boltzmann equation. Here, we study the accuracy of the commonly used models for ionization and attachment frequencies and their impact on the prediction of the breakdown threshold for air. We show that large errors can occur depending on the model and propose the most accurate dataset available for modeling of air breakdown phenomena.
NASA Astrophysics Data System (ADS)
Okawa, Shinpei; Hirasawa, Takeshi; Kushibiki, Toshihiro; Ishihara, Miya
2015-03-01
Quantification of the optical properties of the tissues and blood by noninvasive photoacoustic (PA) imaging may provide useful information for screening and early diagnosis of diseases. Linearized 2D image reconstruction algorithm based on PA wave equation and the photon diffusion equation (PDE) can reconstruct the image with computational cost smaller than a method based on 3D radiative transfer equation. However, the reconstructed image is affected by the differences between the actual and assumed light propagations. A quantitative capability of a linearized 2D image reconstruction was investigated and discussed by the numerical simulations and the phantom experiment in this study. The numerical simulations with the 3D Monte Carlo (MC) simulation and the 2D finite element calculation of the PDE were carried out. The phantom experiment was also conducted. In the phantom experiment, the PA pressures were acquired by a probe which had an optical fiber for illumination and the ring shaped P(VDF-TrFE) ultrasound transducer. The measured object was made of Intralipid and Indocyanine green. In the numerical simulations, it was shown that the linearized image reconstruction method recovered the absorption coefficients with alleviating the dependency of the PA amplitude on the depth of the photon absorber. The linearized image reconstruction method worked effectively under the light propagation calculated by 3D MC simulation, although some errors occurred. The phantom experiments validated the result of the numerical simulations.
Prisutova, Jevgenija; Horoshenkov, Kirill; Groby, Jean-Philippe; Brouard, Bruno
2014-12-01
The measurement of acoustic material characteristics using a standard impedance tube method is generally limited to the plane wave regime below the tube cut-on frequency. This implies that the size of the tube and, consequently, the size of the material specimen must remain smaller than a half of the wavelength. This paper presents a method that enables the extension of the frequency range beyond the plane wave regime by at least a factor of 3, so that the size of the material specimen can be much larger than the wavelength. The proposed method is based on measuring of the sound pressure at different axial locations and applying the spatial Fourier transform. A normal mode decomposition approach is used together with an optimization algorithm to minimize the discrepancy between the measured and predicted sound pressure spectra. This allows the frequency and angle dependent reflection and absorption coefficients of the material specimen to be calculated in an extended frequency range. The method has been tested successfully on samples of melamine foam and wood fiber. The measured data are in close agreement with the predictions by the equivalent fluid model for the acoustical properties of porous media.
NASA Astrophysics Data System (ADS)
Zamorano, M.; Torres-Silva, H.
2006-04-01
A new electrodynamics model formed by chiral bioplasma, which represents the human head inner structure and makes it possible to analyse its behaviour when it is irradiated by a microwave electromagnetic field from cellular phones, is presented. The finite-difference time-domain (FDTD) numeric technique is used, which allows simulation of the electromagnetic fields, deduced with Maxwell's equations, and allows us to simulate the specific absorption rate (SAR). The results show the SAR behaviour as a function of the input power and the chirality factor. In considering the chiral brain tissue in the proposed human head model, the two more important conclusions of our work are the following: (a) the absorption of the electromagnetic fields from cellular phones is stronger, so the SAR coefficient is higher than that using the classical model, when values of the chiral factor are of order of 1; (b) 'inverse skin effect' shows up at 1800 MHz, with respect to a 900 MHz source.
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.
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.
Behavior of rate coefficients for ion-ion mutual neutralization, 300-550 K
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.
Sandwich mixer-reactor: influence of the diffusion coefficient and flow rate ratios.
Abonnenc, Mélanie; Josserand, Jacques; Girault, Hubert H
2009-02-01
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.
Estimating Reaction Rate Coefficients Within a Travel-Time Modeling Framework
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.
Estimating reaction rate coefficients within a travel-time modeling framework.
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.
Determination of the global recombination rate coefficient for the ISX-B Tokamak
Langley, R.A.; Howe, H.C.
1983-01-01
The global recombination rate coefficient for hydrogen has been measured for the ISX-B tokamak vacuum vessel for various surface conditions. The measurements were performed by observing the rate of decrease of gas pressure in the vessel during a glow discharge. The parameters of the glow discharge and the complete experimental method are described. Previously published analytic and numerical models are used for data analysis. The effects of surface contamination on the results are described. For ''unclean'' wall conditions sigmak/sub r/ = 1.8 x 10/sup -28/ cm/sup 4//atom.s at 296 K and increases to sigmak/sub r/ = 4.4 x 10/sup -28/ cm/sup 4//atoms.s for ''clean'' conditions and remains constant until subsequent exposure to air.
NASA Astrophysics Data System (ADS)
Seetha, N.; Majid Hassanizadeh, S.; Mohan Kumar, M. S.; Raoof, Amir
2015-10-01
Nanoparticle deposition behavior observed at the Darcy scale represents an average of the processes occurring at the pore scale. Hence, the effect of various pore-scale parameters on nanoparticle deposition can be understood by studying nanoparticle transport at pore scale and upscaling the results to the Darcy scale. In this work, correlation equations for the deposition rate coefficients of nanoparticles in a cylindrical pore are developed as a function of nine pore-scale parameters: the pore radius, nanoparticle radius, mean flow velocity, solution ionic strength, viscosity, temperature, solution dielectric constant, and nanoparticle and collector surface potentials. Based on dominant processes, the pore space is divided into three different regions, namely, bulk, diffusion, and potential regions. Advection-diffusion equations for nanoparticle transport are prescribed for the bulk and diffusion regions, while the interaction between the diffusion and potential regions is included as a boundary condition. This interaction is modeled as a first-order reversible kinetic adsorption. The expressions for the mass transfer rate coefficients between the diffusion and the potential regions are derived in terms of the interaction energy profile. Among other effects, we account for nanoparticle-collector interaction forces on nanoparticle deposition. The resulting equations are solved numerically for a range of values of pore-scale parameters. The nanoparticle concentration profile obtained for the cylindrical pore is averaged over a moving averaging volume within the pore in order to get the 1-D concentration field. The latter is fitted to the 1-D advection-dispersion equation with an equilibrium or kinetic adsorption model to determine the values of the average deposition rate coefficients. In this study, pore-scale simulations are performed for three values of Péclet number, Pe = 0.05, 5, and 50. We find that under unfavorable conditions, the nanoparticle deposition at
NASA Astrophysics Data System (ADS)
Müller, T.; Schladitz, A.; Kandler, K.; Wiedensohler, A.
2011-09-01
During the SAMUM-2 experiment, spectral absorption coefficients, single scattering albedos and imaginary parts of refractive indices of mineral dust particles were investigated at the Cape Verde Islands. Main absorbing constituents of airborne samples were mineral dust and soot. PM10 spectral absorption coefficients were measured using a Spectral Optical Absorption Photometer (SOAP) covering the wavelength range from 300 to 960 nm with a resolution of 25 nm. From SOAP, also information on the particle scattering coefficients could be retrieved. Spectral single scattering albedos were obtained in the wavelength range from 350 to 960 nm. Imaginary parts of the refractive index were inferred from measured particle number size distributions and absorption coefficients using Mie scattering theory. Imaginary parts for a dust case were 0.012, 0.0047 and 0.0019 at the wavelengths 450, 550 and 950 nm, respectively, and the single scattering albedos were 0.91, 0.96 and 0.98 at the same wavelengths. During a marine case, the imaginary parts of the refractive indices were 0.0045, 0.0040 and 0.0036 and single scattering albedos were 0.93, 0.95 and 0.96 at the wavelengths given above.
Time-dependent methods for calculating thermal rate coefficients using flux correlation functions
NASA Astrophysics Data System (ADS)
Thachuk, Mark; Schatz, George C.
1992-11-01
In this paper we study numerical methods for calculating thermal rate coefficients using flux correlation functions, with the goal of determining optimal methods for producing values with a specified accuracy. In all cases we employ grid based methods for solving the time-dependent Schrödinger equation in one mathematical dimension for a simple barrier potential function. The solutions are used to determine the propagator matrix elements needed to evaluate the flux correlation functions. Within this framework, we examine (1) several time-dependent methods for propagating the wave packets, (2) several procedures for evaluating the action of the Hamiltonian on the wave function, (3) the choice of complex time contours for evaluating the rate coefficient expression, (4) alternatives for estimating the initial short-time evolution of the wave packet (which starts as a δ function), (5) quadrature methods for evaluating the spatial and time integrals appearing in the flux correlation function, and (6) special numerical strategies which can dramatically improve the accuracy of the calculation, particularly at low temperatures. We find that several methods yield rate coefficients accurate to 1% or 0.1% using about the same computational effort. These include (a) split-operator time propagators combined with fast-Fourier-transform evaluations of the wave-function derivatives, and (b) the Chebyshev time propagator combined with either an eleventh-order finite-difference or fifth-order spline evaluation of the wave-function derivatives. These finite-difference and spline methods can also be used competitively with the split-operator approach provided that a Crank-Nicholson approximation is utilized in evaluating the action of the kinetic-energy propagator. It was also found that inaccuracies in estimating the initial short-time behavior of the wave function could limit the effectiveness of the more accurate methods. A multigrid approach based on the split
Revised rate coefficients for H2 and H- destruction by realistic stellar spectra
NASA Astrophysics Data System (ADS)
Agarwal, Bhaskar; Khochfar, Sadegh
2015-01-01
Understanding the processes that can destroy H2 and H- species is quintessential in governing the formation of the first stars, black holes and galaxies. In this study, we compute the reaction rate coefficients for H2 photodissociation by Lyman-Werner photons (11.2-13.6 eV) and H- photodetachment by 0.76 eV photons emanating from self-consistent stellar populations that we model using publicly available stellar synthesis codes. So far, studies that include chemical networks for the formation of molecular hydrogen take these processes into account by assuming that the source spectra can be approximated by a power-law dependence or a blackbody spectrum at 104 or 105 K. We show that using spectra generated from realistic stellar population models can alter the reaction rates for photodissociation, kdi, and photodetachment, kde, significantly. In particular, kde can be up to ˜2-4 orders of magnitude lower in the case of realistic stellar spectra suggesting that previous calculations have overestimated the impact that radiation has on lowering H2 abundances. In contrast to burst modes of star formation, we find that models with continuous star formation predict increasing kde and kdi, which makes it necessary to include the star formation history of sources to derive self-consistent reaction rates, and that it is not enough to just calculate J21 for the background. For models with constant star formation rate, the change in shape of the spectral energy distribution leads to a non-negligible late-time contribution to kde and kdi, and we present self-consistently derived cosmological reaction rates based on star formation rates consistent with observations of the high-redshift Universe.
Mikitishin, S.I.; Fedorov, V.V.; Sergienko, O.M.; Sokolovskii, O.R.; Spas, Y.M.
1985-07-01
A proposed method of measuring the diffusion coefficient of hydrogen D from the rate of change in electrical resistance in degassing of hydrogenimpregnated specimens is presented. Distinguished by simplicity, the method makes it possible to determine the coefficients with any method of hydrogen impregnation in a broad temperature range.
NASA Astrophysics Data System (ADS)
More, Chaitali V.; Lokhande, Rajkumar M.; Pawar, Pravina. P.
2016-05-01
Mass attenuation coefficients of amino acids such as n-acetyl-l-tryptophan, n-acetyl-l-tyrosine and d-tryptophan were measured in the energy range 0.122-1.330 MeV. NaI (Tl) scintillation detection system was used to detect gamma rays with a resolution of 8.2% at 0.662 MeV. The measured attenuation coefficient values were then used to determine the mass energy-absorption coefficients (σa,en) and average atomic energy-absorption cross sections (μen/ρ) of the amino acids. Theoretical values were calculated based on XCOM data. Theoretical and experimental values are found to be in good agreement.
New potential energy surface for the HCS{sup +}–He system and inelastic rate coefficients
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{sup +}–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{sup +} 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{sup +}–He system. The HCS{sup +}–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.
NASA Astrophysics Data System (ADS)
Badnell, N. R.; Spruck, K.; Krantz, C.; Novotný, O.; Becker, A.; Bernhardt, D.; Grieser, M.; Hahn, M.; Repnow, R.; Savin, D. W.; Wolf, A.; Müller, A.; Schippers, S.
2016-05-01
Experimentally measured and theoretically calculated rate coefficients for the recombination of W19 +([Kr ] 4 d10 4 f9 ) ions with free electrons (forming W18 +) are presented. At low electron-ion collision energies, the merged-beam rate coefficient is dominated by strong, mutually overlapping, recombination resonances as already found previously for the neighboring charge-state ions W18 + and W20 +. In the temperature range where W19 + is expected to form in a collisionally ionized plasma, the experimentally derived recombination rate coefficient deviates by up to a factor of about 20 from the theoretical rate coefficient obtained from the Atomic Data and Analysis Structure database. The present calculations, which employ a Breit-Wigner redistributive partitioning of autoionizing widths for dielectronic recombination via multi-electron resonances, reproduce the experimental findings over the entire temperature range.
Schwartz, S.E.
1988-10-01
Although it has been recognized for some time that the rate of reactive uptake of gases in cloudwater can depend on the value of the mass-accommodation coefficient (..cap alpha..) describing interfacial mass transport (MT), definitive evaluation of such rates is only now becoming possible with the availability of measurements of ..cap alpha.. for gases of atmospheric interest at air-water interfaces. Examination of MT limitation to the rate of in-cloud aqueous-phase oxidation of SO/sub 2/ by O/sub 3/ and H/sub 2/O/sub 2/ shows that despite the low value of ..cap alpha../sub O3/ (5 /times/ 10/sup /minus/4/), interfacial MT of this species is not limiting under essentially all conditions of interest; the high values of ..cap alpha.. for SO/sub 2/ (greater than or equal to 0.2) and H/sub 2/O/sub 2/ (greater than or equal to 0.08) indicate no interfacial MT limitation for these species also. Although gas- and aqueous-phase MT can be limiting under certain extremes of conditions, treating the system as under chemical kinetic control is generally an excellent approximation. Interfacial MT limitation also is found not to hinder the rate of H/sub 2/O/sub 2/ formation by aqueous-phase disproportionation of HO/sub 2/. Finally, the rapid uptake of N/sub 2/O/sub 5/ by cloud droplets implies that the yield of aqueous HNO/sub 3/ from in-cloud gas-phase oxidation of NO/sub 2/by O/sub 3/ can be substantial even under daytime conditions. This report consists of copies of viewgraphs prepared for this presentation.
Ar II Emission Processes and Emission Rate Coefficients in ASTRAL Helicon Plasmas
NASA Astrophysics Data System (ADS)
Boivin, R. F.; Gardner, A.; Kamar, O.; Kesterson, A.; Loch, S.; Munoz, J.; Ballance, C.
2008-11-01
Emission processes for Ar II line emission are described for low temperature plasmas (Te < 10 eV). It is found that Ar II emission results primarily from Ar ion ground state excitation rather than from any Ar neutral state. This suggests that Ar II emission results from stepping processes which includes ionization and then excitation of the neutral Ar atom filling the vacuum chamber. The Ar II emission rate coefficients are measured in the ASTRAL helicon plasma source using a 0.33 m monochromator and a CCD camera. ASTRAL produces Ar plasmas with the following parameters: ne = 1E11 -- 1E13 cm-3 and Te = 2 - 10 eV, B-field <= 1.3 kGauss, rf power <= 2 kWatt. RF compensated Langmuir probes are used to measure Te and ne. In this experiment, Ar II transitions are monitored as a function of Te while ne is kept constant. Experimental emission rates are obtained as a function of Te and compared to theoretical predictions. Theoretical predictions make use of the ADAS suite of codes as well as recent R-matrix electron-impact excitation calculations that includes pseudo-states contributions. Our collisional-radiative formalism assumes that the excited levels are in quasi-static equilibrium with the ground and metastable populations.
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.
Theory of absorption rate of carriers in fused silica under intense laser irradiation
Deng, Hongxiang; Xiang, Xia; Zheng, WG; Yuan, XD; Wu, SY; Jiang, XD; Gao, Fei; Zu, Xiaotao T.; Sun, Kai
2010-11-15
A quantum non-perturbation theory for phonon-assisted photon absorption of conduction band electron in intense laser was developed. By carrying out the calculation in fused silica at wavelengths from ultraviolet to infrared in terawatt intensity laser, we show that the Non-perturbation approach can make a uniform description of energy absorption rate at both short wavelengths and long wavelengths on TW / cm2 intensity laser.
NASA Technical Reports Server (NTRS)
Yoshino, K.; Stark, G.; Smith, P. L.; Parkinson, W. H.; Ito, K.
1988-01-01
Photoabsorption coefficients have been measured for the CO in interstellar clouds at a resolving power more than 20 times greater than previously obtainable. In order to facilitate comparisons, these data have been integrated over the same wavelength ranges as used in Letzelter et al. (1987). It is found that most of the results obtained for bands between 94.0 and 100.4 nm are larger than those of Letzelter; the discrepancy may be attributable to the difference between the resolving powers of the spectrometers used, because the saturation effects associated with low resolution can underestimate absorption coefficient values.
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.
3D finite element simulation of effects of deflection rate on energy absorption for TRIP steel
NASA Astrophysics Data System (ADS)
Hayashi, Asuka; Pham, Hang; Iwamoto, Takeshi
2015-09-01
Recently, with the requirement of lighter weight and more safety for a design of automobile, energy absorption capability of structural materials has become important. TRIP (Transformation-induced Plasticity) steel is expected to apply to safety members because of excellent energy absorption capability and ductility. Past studies proved that such excellent characteristics in TRIP steel are dominated by strain-induced martensitic transformation (SIMT) during plastic deformation. Because SIMT strongly depends on deformation rate and temperature, an investigation of the effects of deformation rate and temperature on energy absorption in TRIP is essential. Although energy absorption capability of material can be estimated by J-integral experimentally by using pre-cracked specimen, it is difficult to determine volume fraction of martensite and temperature rise during the crack extension. In addition, their effects on J-integral, especially at high deformation rate in experiment might be quite hard. Thus, a computational prediction needs to be performed. In this study, bending deformation behavior of pre-cracked specimen until the onset point of crack extension are predicted by 3D finite element simulation based on the transformation kinetics model proposed by Iwamoto et al. (1998). It is challenged to take effects of temperature, volume fraction of martensite and deformation rate into account. Then, the mechanism for higher energy absorption characteristic will be discussed.
NASA Technical Reports Server (NTRS)
Pan, Xiaoju; Mannino, Antonio; Russ, Mary E.; Hooker, Stanford B.
2008-01-01
At present, satellite remote sensing of coastal water quality and constituent concentration is subject to large errors as compared to the capability of satellite sensors in oceanic waters. In this study, field measurements collected on a series of cruises within U.S. southern Middle Atlantic Bight (SMAB) were applied to improve retrievals of satellite ocean color products in order to examine the factors that regulate the bio-optical properties within the continental shelf waters of the SMAB. The first objective was to develop improvements in satellite retrievals of absorption coefficients of phytoplankton (a(sub ph)), colored dissolved organic matter (CDOM) (a(sub g)), non-pigmented particles (a(sub d)), and non-pigmented particles plus CDOM (a(sub dg)), and chlorophyll a concentration ([Chl_a]). Several algorithms were compared to derive constituent absorption coefficients from remote sensing reflectance (R(sub rs)) ratios. The validation match-ups showed that the mean absolute percent differences (MAPD) were typically less than 35%, although higher errors were found for a(sub d) retrievals. Seasonal and spatial variability of satellite-derived absorption coefficients and [Chl_a] was apparent and consistent with field data. CDOM is a major contributor to the bio-optical properties of the SMAB, accounting for 35-70% of total light absorption by particles plus CDOM at 443 nm, as compared to 30-45% for phytoplankton and 0-20% for non-pigmented particles. The overestimation of [Chl_a] from the operational satellite algorithms may be attributed to the strong CDOM absorption in this region. River discharge is important in controlling the bio-optical environment, but cannot explain all of the regional and seasonal variability of biogeochemical constituents in the SMAB.
NASA Technical Reports Server (NTRS)
Temma, T.; Baines, K. H.; Butler, R. A. H.; Brown, L. R.; Sagui, L.; Kleiner, I.
2006-01-01
PH3 exponential sum k coefficients were computed between 2750 and 3550/cm (2.82-3.64 (microns), in view of future application to radiative transfer analyses of Jupiter and Saturn in a phosphine absorption band near 3 microns. The temperature and pressure of this data set cover the ranges from 80 to 350 K and from 10 (exp -3)to 10(exp 1) bars, respectively. Transmission uncertainty incurred by the use of the k coefficients is smaller than a few percent as long as the radiation is confined above an altitude of a few bars in the giant planets. In spectral regions of weak absorption at high pressures close to 10 bars, contributions from far wings of strong absorption lines must be carefully taken into account. Our data set helps map the three-dimensional distribution of PH3 on the giant planets, revealing their global atmospheric dynamics extending down to the deep interior. The complete k coefficient data set of this work is available at the Web site of the NASA Planetary Data System Atmospheres Node.
NASA Astrophysics Data System (ADS)
Fairuz Budiman, Mohd; Hu, Weiguo; Igarashi, Makoto; Tsukamoto, Rikako; Isoda, Taiga; Itoh, Kohei M.; Yamashita, Ichiro; Murayama, Akihiro; Okada, Yoshitaka; Samukawa, Seiji
2012-02-01
A sub-10 nm, high-density, periodic silicon-nanodisc (Si-ND) array has been fabricated using a new top-down process, which involves a 2D array bio-template etching mask made of Listeria-Dps with a 4.5 nm diameter iron oxide core and damage-free neutral-beam etching (Si-ND diameter: 6.4 nm). An Si-ND array with an SiO2 matrix demonstrated more controllable optical bandgap energy due to the fine tunability of the Si-ND thickness and diameter. Unlike the case of shrinking Si-ND thickness, the case of shrinking Si-ND diameter simultaneously increased the optical absorption coefficient and the optical bandgap energy. The optical absorption coefficient became higher due to the decrease in the center-to-center distance of NDs to enhance wavefunction coupling. This means that our 6 nm diameter Si-ND structure can satisfy the strict requirements of optical bandgap energy control and high absorption coefficient for achieving realistic Si quantum dot solar cells.
Nader, Christelle Abou; Nassif, Rana; Pellen, Fabrice; Le Jeune, Bernard; Le Brun, Guy; Abboud, Marie
2015-12-10
In this paper, we present the evolution of speckle pattern polarimetric parameters in response to controlled changes in scatterer sizes, proportions, and the absorption coefficient in media. The experimental study was performed on mixtures of polystyrene microspheres with dye in order to ensure biological medium-like properties. The speckle grain sizes and degrees of polarization for linear and circular light were monitored. We observed helicity flipping in the degree of circular polarization for small scatterer proportion around 25%. Furthermore, linear depolarization decreased slightly for media containing more small particles. Good agreement was shown with numerical results computed using a Monte Carlo simulation of polarized light taking into account our experimental configuration. Speckle grain size also evolves with the increase of small scatterers as well as the media absorption coefficient. Such variations of properties are encountered during fruit maturation, in tissues in precancerous stages, and any transformation that causes a modification in particle proportions and absorption coefficient in biological media. The computed parameters proved to be sensitive to these changes.
NASA Astrophysics Data System (ADS)
Zheng, Guangming; Stramski, Dariusz; DiGiacomo, Paul M.
2015-04-01
We present a model, referred to as Generalized Stacked-Constraints Model (GSCM), for partitioning the total light absorption coefficient of natural water (with pure-water contribution subtracted), anw(λ), into phytoplankton, aph(λ), nonalgal particulate, ad(λ), and CDOM, ag(λ), components. The formulation of the model is based on the so-called stacked-constraints approach, which utilizes a number of inequality constraints that must be satisfied simultaneously by the model outputs of component absorption coefficients. A major advancement is that GSCM provides a capability to separate the ad(λ) and ag(λ) coefficients from each other using only weakly restrictive assumptions about the component absorption coefficients. In contrast to the common assumption of exponential spectral shape of ad(λ) and ag(λ) in previous models, in our model these two coefficients are parameterized in terms of several distinct spectral shapes. These shapes are determined from field data collected in the Chesapeake Bay with an ultimate goal to adequately account for the actual variability in spectral shapes of ad(λ) and ag(λ) in the study area. Another advancement of this model lies in its capability to account for potentially nonnegligible magnitude of ad(λ) in the near-infrared spectral region. Evaluation of model performance demonstrates good agreement with measurements in the Chesapeake Bay. For example, the median ratio of the model-derived to measured ad(λ), ag(λ), and aph(λ) at 443 nm is 0.913, 1.064, and 1.056, respectively. Whereas our model in its present form can be a powerful tool for regional studies in the Chesapeake Bay, the overall approach is readily adaptable to other regions or bio-optical water types.
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.
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.
Ionization cross sections and rate coefficients for CFCl3 molecule by electron impact
NASA Astrophysics Data System (ADS)
Pal, Satyendra; Kumar, Neeraj
2013-09-01
Chlorofluorocarbons (CFCs) or freons 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. The present work reports the calculations for differential cross sections as a function of secondary/ ejected electron energy and the scattering angle in the ionization of CFCl3 by electron collision leading to the production of various cations viz. CCl3+,CFCl2+,CCl2+,CFCl+, CCl+, Cl+, CF+, F+, and C+ through direct and dissociative ionization processes at a fixed incident electron energy of 200 eV. A modified Jain-Khare semi-empirical formalism based on oscillator strength has been employed. To the best of our knowledge, no experimental and/or theoretical data is available for comparison of the present results for differential cross sections. The corresponding derived integral cross sections in terms of the partial ionization cross sections corresponding to these cations, in the energy range varying from ionization threshold to 1000 eV, 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 energy.
A study of energy absorption rate in a quantum dot and metallic nanosphere hybrid system.
Schindel, Daniel; Singh, Mahi R
2015-09-01
We have studied energy absorption rate in a quantum dot-metallic nanosphere system embedded on a dielectric substrate. We applied a control field to induce dipole moments in the quantum dot and the metal nanosphere, and monitored the energy absorption using a probe field. These external fields induce dipole moments in the metal nanosphere and the quantum dot, and these two structures interact with one another via the dipole-dipole interaction. The density matrix method was used to evaluate the absorption, indicating that it can be shifted by moving the metal nanosphere close to the quantum dot. Also, absorption efficiency can either be quenched or enhanced by the addition of a metal nanosphere. This hybrid system can be used to create ultrafast switching and sensing nanodevices.
A study of energy absorption rate in a quantum dot and metallic nanosphere hybrid system
NASA Astrophysics Data System (ADS)
Schindel, Daniel; Singh, Mahi R.
2015-09-01
We have studied energy absorption rate in a quantum dot-metallic nanosphere system embedded on a dielectric substrate. We applied a control field to induce dipole moments in the quantum dot and the metal nanosphere, and monitored the energy absorption using a probe field. These external fields induce dipole moments in the metal nanosphere and the quantum dot, and these two structures interact with one another via the dipole-dipole interaction. The density matrix method was used to evaluate the absorption, indicating that it can be shifted by moving the metal nanosphere close to the quantum dot. Also, absorption efficiency can either be quenched or enhanced by the addition of a metal nanosphere. This hybrid system can be used to create ultrafast switching and sensing nanodevices.
Energy absorption at high strain rate of glass fiber reinforced mortars
NASA Astrophysics Data System (ADS)
Fenu, Luigi; Forni, Daniele; Cadoni, Ezio
2015-09-01
In this paper, the dynamic behaviour of cement mortars reinforced with glass fibers was studied. The influence of the addition of glass fibers on energy absorption and tensile strength at high strain-rate was investigated. Static tests in compression, in tension and in bending were first performed. Dynamic tests by means of a Modified Hopkinson Bar were then carried out in order to investigate how glass fibers affected energy absorption and tensile strength at high strain-rate of the fiber reinforced mortar. The Dynamic Increase Factor (DIF) was finally evaluated.
A review of lung-to-blood absorption rates for radon progeny.
Marsh, J W; Bailey, M R
2013-12-01
The International Commission on Radiological Protection (ICRP) Publication 66 Human Respiratory Tract Model (HRTM) treats clearance of materials from the respiratory tract as a competitive process between absorption into blood and particle transport to the alimentary tract and lymphatics. The ICRP recommended default absorption rates for lead and polonium (Type M) in ICRP Publication 71 but stated that the values were not appropriate for short-lived radon progeny. This paper reviews and evaluates published data from volunteer and laboratory animal experiments to estimate the HRTM absorption parameter values for short-lived radon progeny. Animal studies showed that lead ions have two phases of absorption: ∼10 % absorbed with a half-time of ∼15 min, the rest with a half-time of ∼10 h. The studies also indicated that some of the lead ions were bound to respiratory tract components. Bound fractions, f(b), for lead were estimated from volunteer and animal studies and ranged from 0.2 to 0.8. Based on the evaluations of published data, the following HRTM absorption parameter values were derived for lead as a decay product of radon: f(r) = 0.1, s(r) = 100 d(-1), s(s) = 1.7 d(-1), f(b) = 0.5 and s(b) = 1.7 d(-1). Effective doses calculated assuming these absorption parameter values instead of a single absorption half-time of 10 h with no binding (as has generally been assumed) are only a few per cent higher. However, as there is some conflicting evidence on the absorption kinetics for radon progeny, dose calculations have been carried out for different sets of absorption parameter values derived from different studies. The results of these calculations are discussed.
NASA Technical Reports Server (NTRS)
Baines, Kevin H.; West, Robert A.; Giver, Lawrence P.; Moreno, Fernando
1993-01-01
Near-infrared 10/cm resolution spectra of methane obtained at various temperatures, pressures, and abundances are fit to a quasi-random narrow-band model. Exponential-sum absorption coefficients for three temperatures (112, 188, and 295 K), and 20 pressures from 0.0001 to 5.6 bars, applicable to the cold environments of the major planets, are then derived from the band model for the 230 wavelengths measured from 1.6 to 2.5 microns. RMS deviations between the laboratory and the exponential-sum synthetic transmissions are reported for the best fitting 50 wavelengths. Deviations relevant to broadband, 1-percent spectral resolution observations are also presented. The validity of exponential-sum coefficients derived from broadband (10/cm) transmission data is demonstrated via direct comparison with line-by-line calculations. The complete atlas of coefficients is available from the Planetary Data System-Planetary Atmospheres Discipline Node.
NASA Astrophysics Data System (ADS)
Thomas, S.; Koch-Mueller, M.; Reichart, P.; Rhede, D.; Thomas, R.
2007-12-01
Conventionally applied Infrared (IR) calibrations [1, 2] for quantitative water analyses in solids are established on hydrous minerals and glasses with several wt% water. These calibrations are based on a negative correlation between the IR molar absorption coefficient (ɛ) for water and the mean wavenumber of the corresponding OH pattern. The correlation reflects the dependence of the OH band position on the appropriate O- H...O distances and thereby the magnitude of the dipole momentum which is proportional to the band intensity. However, it has been observed that these calibrations can not be adopted to nominally anhydrous minerals (NAMs) [3].To study the potential dependence of ɛ on structure and chemistry in NAMs we synthesized olivine and SiO2 polymorphs with specific isolated hydroxyl point defects, e.g. quartz, coesite and stishovite with B3++H+=Si4+ and/or Al3++H+=Si4+ substitutions. Experiments were performed with water in excess in piston cylinder and multi-anvil presses. Single crystal IR spectra demonstrate that we successfully managed to seperate generally complex OH patterns as e.g. observed in natural quartz and synthetic coesite. We quantified sample water contents of both natural samples and our run products by applying proton-proton-scattering [4], confocal microRaman spectroscopy [5] and Secondary Ion mass spectrometry. Resulting water concentrations were used to calculate new mineral specific ɛs. For olivine with the mean wavenumber of 3517 cm-1 we determined an ɛ value of 41,000±5,000 lmol-1H2Ocm-2. Quantification of olivine with the mean wavenumber of 3550 cm-1 in contrast resulted in an ɛ value of 47,000±1,000 lmol-1H2Ocm-2. Taking into account previous studies [6, 7] there is evidence to suggest a linear wavenumber dependent correlation for olivine, where ɛ increases with decreasing wavenumber. In case of the SiO2 system it turns out that the magnitude of ɛ within one structure type is independent of the liable OH point defect and
Kasting, G B; Saiyasombati, P
2001-02-01
Because of their potential for inducing allergic contact dermatitis (ACD) if used improperly, perfumes are carefully assessed for dermal safety prior to incorporation into cosmetic products. Exposure assessment for these materials often involves the conservative assumption of 100% absorption of each component. This report describes an improved method to estimate the absorption and evaporation of perfume ingredients from skin, based on their physico-chemical properties. The effect of environmental variables such as temperature and wind velocity can be accounted for in a logical way. This was accomplished using a first-order kinetic approach expected to be applicable for small doses applied to skin. Skin penetration rate was calculated as a fraction of the maximum flux estimated from the compound's lipid solubility, S(lip) (represented by the product of octanol/water partition coefficient, K(octt), and water solubility, S(w)), and molecular weight, MW. Evaporation rates were estimated from a modified Henry's Law approach with a stagnant boundary layer whose thickness is a function of surface airflow, v. At a given value of v, evaporation rate was assumed proportional to the ratio P(vp)/S(lip), where P(vp) is the vapour pressure of the ingredient at skin temperature, T. The model predicts a relationship for total evaporation from skin of the form %evap = 100x/(k+x) where x = P(vp)MW(2.7)/(K(oct)S(w)) and k is a parameter which depends only on v and T. Comparison with published data on perfume evaporation from human skin in vivo showed good agreement between theory and experiment for two closely related perfume mixtures (r(2) = 0.52-0.74, s = 12-14%, n = 10). Thus, the method would seem to have a good prospect of providing skin absorption estimates suitable for use in exposure assessment and improved understanding of dose-related contact allergy.
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.
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. PMID:20499963
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.
Napier, Kathryn R; McWhorter, Todd J; Fleming, Patricia A
2008-11-01
Efficient mechanisms of glucose absorption are necessary for volant animals as a means of reducing mass during flight: they speed up gut transit time and require smaller volume and mass of gut tissue. One mechanism that may be important is absorption via paracellular (non-mediated) pathways. This may be particularly true for nectarivorous species which encounter large quantities of sugar in their natural diet. We investigated the extent of mediated and non-mediated glucose absorption in red wattlebirds Anthochaera carunculata (Meliphagidae) and rainbow lorikeets Trichoglossus haematodus (Loriidae) to test the hypothesis that paracellular uptake accounts for a significant proportion of total glucose uptake in these species. We found that routes of glucose absorption are highly dynamic in both species. In lorikeets, absorption of L-glucose (non-mediated uptake) is slower than that of D-glucose (mediated and non-mediated uptake), with as little as 10% of total glucose absorbed by the paracellular pathway initially (contrasting previous indirect estimates of approximately 80%). Over time, however, more glucose may be absorbed via the paracellular route. Glucose absorption by both mediated and non-mediated mechanisms in wattlebirds occurred at a faster rate than in lorikeets, and wattlebirds also rely substantially on paracellular uptake. In wattlebirds, we recorded higher bioavailability of L-glucose (96+/-3%) compared with D-glucose (57+/-2%), suggesting problems with the in vivo use of radiolabeled d-glucose. Further trials with 3-O-methyl-D-glucose revealed high bioavailability in wattlebirds (90+/-5%). This non-metabolisable glucose analogue remains the probe of choice for measuring uptake rates in vivo, especially in birds in which absorption and metabolism occur extremely rapidly.
Napier, Kathryn R; McWhorter, Todd J; Fleming, Patricia A
2008-11-01
Efficient mechanisms of glucose absorption are necessary for volant animals as a means of reducing mass during flight: they speed up gut transit time and require smaller volume and mass of gut tissue. One mechanism that may be important is absorption via paracellular (non-mediated) pathways. This may be particularly true for nectarivorous species which encounter large quantities of sugar in their natural diet. We investigated the extent of mediated and non-mediated glucose absorption in red wattlebirds Anthochaera carunculata (Meliphagidae) and rainbow lorikeets Trichoglossus haematodus (Loriidae) to test the hypothesis that paracellular uptake accounts for a significant proportion of total glucose uptake in these species. We found that routes of glucose absorption are highly dynamic in both species. In lorikeets, absorption of L-glucose (non-mediated uptake) is slower than that of D-glucose (mediated and non-mediated uptake), with as little as 10% of total glucose absorbed by the paracellular pathway initially (contrasting previous indirect estimates of approximately 80%). Over time, however, more glucose may be absorbed via the paracellular route. Glucose absorption by both mediated and non-mediated mechanisms in wattlebirds occurred at a faster rate than in lorikeets, and wattlebirds also rely substantially on paracellular uptake. In wattlebirds, we recorded higher bioavailability of L-glucose (96+/-3%) compared with D-glucose (57+/-2%), suggesting problems with the in vivo use of radiolabeled d-glucose. Further trials with 3-O-methyl-D-glucose revealed high bioavailability in wattlebirds (90+/-5%). This non-metabolisable glucose analogue remains the probe of choice for measuring uptake rates in vivo, especially in birds in which absorption and metabolism occur extremely rapidly. PMID:18978218
Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics.
Zuo, Junxiang; Li, Yongle; Guo, Hua; Xie, Daiqian
2016-05-26
Thermal rate coefficients at temperatures between 200 and 1000 K are calculated for the HCl + OH → Cl + H2O reaction on a recently developed permutation invariant potential energy surface, using ring polymer molecular dynamics (RPMD). Large deviations from the Arrhenius limit are found at low temperatures, suggesting significant quantum tunneling. Agreement with available experimental rate coefficients is generally satisfactory, although the deviation becomes larger at lower temperatures. The theory-experiment discrepancy is attributed to the remaining errors in the potential energy surface, which is known to slightly overestimate the barrier. In the deep tunneling region, RPMD performs better than traditional transition-state theory with semiclassical tunneling corrections.
NASA Astrophysics Data System (ADS)
Utry, N.; Ajtai, T.; Pintér, M.; Tombácz, E.; Illés, E.; Bozóki, Z.; Szabó, G.
2015-01-01
Mass-specific optical absorption coefficients (MACs) and the imaginary part (κ) of the refractive indices of various mineral dust components including silicate clays (illite, kaolin and bentonite), oxides (quartz, hematite and rutile), and carbonate (limestone) were determined at the wavelengths of 1064, 532, 355 and 266 nm. The MAC values were calculated from aerosol optical absorption coefficients measured by a multi-wavelength photoacoustic (PA) instrument, the mass concentration and the number size distribution of the generated aerosol samples as well as the size transfer functions of the measuring instruments. Values of κ were calculated from the measured and particle-loss-corrected data by using a Mie-theory-based retrieval algorithm. The determined values could be used for comparisons with calculated wavelength-dependent κ values typically deduced from bulk-phase measurements by using indirect measurement methods. Accordingly, the presented comparison of the measured and calculated aerosol optical absorption spectra revealed the strong need for standardized sample preparation and measurement methodology in case of bulk-phase measurements.
NASA Astrophysics Data System (ADS)
Ivascu, I. R.; Matei, C. E.; Patachia, M.; Bratu, A. M.; Dumitras, D. C.
2016-06-01
Absorption coefficients of the ethanol vapors at atmospheric pressure and room temperature were measured by photoacoustic technique using a cw, line-tunable, frequency-stabilized CO2 laser as radiation source. The spectrum of the employed CO2 laser includes 54 lines with wavelengths in the infrared region of 9.2-10.8 μm and power levels up to 4.7 W. Measurements revealed a predominant absorption for ethanol within 9.4 μm band of the CO2 laser spectrum, where the highest values of the absorption coefficients were recorded: 3.68 cm- 1 atm- 1 at 9R(20) line and 3.65 cm- 1 atm- 1 at 9R(22) line. The estimated detection range covers six orders of magnitude, from a minimum of 30 ppbV to a maximum of 4% concentration of ethanol in nitrogen, which proves the suitability of the photoacoustic technique for accurate measurements of the ethanol concentration in various applications.
Ivascu, I R; Matei, C E; Patachia, M; Bratu, A M; Dumitras, D C
2016-06-15
Absorption coefficients of the ethanol vapors at atmospheric pressure and room temperature were measured by photoacoustic technique using a cw, line-tunable, frequency-stabilized CO2 laser as radiation source. The spectrum of the employed CO2 laser includes 54 lines with wavelengths in the infrared region of 9.2-10.8μm and power levels up to 4.7W. Measurements revealed a predominant absorption for ethanol within 9.4μm band of the CO2 laser spectrum, where the highest values of the absorption coefficients were recorded: 3.68cm(-1)atm(-1) at 9R(20) line and 3.65cm(-1)atm(-1) at 9R(22) line. The estimated detection range covers six orders of magnitude, from a minimum of 30ppbV to a maximum of 4% concentration of ethanol in nitrogen, which proves the suitability of the photoacoustic technique for accurate measurements of the ethanol concentration in various applications.
Ivascu, I R; Matei, C E; Patachia, M; Bratu, A M; Dumitras, D C
2016-06-15
Absorption coefficients of the ethanol vapors at atmospheric pressure and room temperature were measured by photoacoustic technique using a cw, line-tunable, frequency-stabilized CO2 laser as radiation source. The spectrum of the employed CO2 laser includes 54 lines with wavelengths in the infrared region of 9.2-10.8μm and power levels up to 4.7W. Measurements revealed a predominant absorption for ethanol within 9.4μm band of the CO2 laser spectrum, where the highest values of the absorption coefficients were recorded: 3.68cm(-1)atm(-1) at 9R(20) line and 3.65cm(-1)atm(-1) at 9R(22) line. The estimated detection range covers six orders of magnitude, from a minimum of 30ppbV to a maximum of 4% concentration of ethanol in nitrogen, which proves the suitability of the photoacoustic technique for accurate measurements of the ethanol concentration in various applications. PMID:27045783
Rate- and Extent-Limiting Factors of Oral Drug Absorption: Theory and Applications.
Sugano, Kiyohiko; Terada, Katsuhide
2015-09-01
The oral absorption of drugs has been represented by various concepts such as the absorption potential, the maximum absorbable dose, the biopharmaceutics classification system, and in vitro-in vivo correlation. The aim of this article is to provide an overview of the theoretical relationships between these concepts. It shows how a simple analytical solution for the fraction of a dose absorbed (Fa equation) can offer a theoretical base to tie together the various concepts, and discusses how this solution relates to the rate-limiting cases of oral drug absorption. The article introduces the Fa classification system as a framework in which all the above concepts were included, and discusses its applications for food effect prediction, active pharmaceutical ingredient form selection, formulation design, and biowaiver strategy.
Gas-phase rate coefficients of the reaction of ozone with four sesquiterpenes at 295 ± 2 K.
Richters, Stefanie; Herrmann, Hartmut; Berndt, Torsten
2015-05-01
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.
Barbosa, Thaís da Silva; Peirone, Silvina; Barrera, Javier A; Abrate, Juan P A; Lane, Silvia I; Arbilla, Graciela; Bauerfeldt, Glauco Favilla
2015-04-14
The kinetics of the cis-3-hexene + OH reaction were investigated by an experimental relative rate method and at the density functional theory level. The experimental set-up consisted of a 200 L Teflon bag, operated at atmospheric pressure and 298 K. OH radicals were produced by the photolysis of H2O2 at 254 nm. Relative rate coefficients were determined by comparing the decays of the cis-3-hexene and reference compounds (cyclohexene, 2-buten-1-ol and allyl ether). The mean second-order rate coefficient value found was (6.27 ± 0.66) × 10(-11) cm(3) molecule(-1) s(-1), the uncertainty being estimated by propagation of errors. Theoretical calculations for the addition reaction of OH to cis-3-hexene have also been performed, at the BHandHLYP/aug-cc-pVDZ level, in order to investigate the reaction mechanism, to clarify the experimental observations and to model the reaction kinetics. Different conformations of the reactants, pre-barrier complexes and saddle points were considered in our calculations. The individual rate coefficients, calculated for each conformer of the reactant, at 298 K, using a microcanonical variational transition state method, are 4.19 × 10(-11) and 1.23 × 10(-10) cm(3) molecule(-1) s(-1). The global rate coefficient was estimated from the Boltzmann distribution of the conformers to be 8.10 × 10(-11) cm(3) molecule(-1) s(-1), which is in agreement with the experimental value. Rate coefficients calculated over the temperature range from 200-500 K are also given. Our results suggest that the complex mechanism, explicitly considering different conformations for the stationary points, must be taken into account for a proper description of the reaction kinetics.
Gas-phase rate coefficients of the reaction of ozone with four sesquiterpenes at 295 ± 2 K.
Richters, Stefanie; Herrmann, Hartmut; Berndt, Torsten
2015-05-01
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. PMID:25866852
Baba, Justin S; Koju, Vijay; John, Dwayne O
2016-01-01
The modulation of the state of polarization of photons due to scatter generates associated geometric phase that is being investigated as a means for decreasing the degree of uncertainty in back-projecting the paths traversed by photons detected in backscattered geometry. In our previous work, we established that polarimetrically detected Berry phase correlates with the mean photon penetration depth of the backscattered photons collected for image formation. In this work, we report on the impact of state-of-linear-polarization (SOLP) filtering on both the magnitude and population distributions of image forming detected photons as a function of the absorption coefficient of the scattering sample. The results, based on Berry phase tracking implemented Polarized Monte Carlo Code, indicate that sample absorption plays a significant role in the mean depth attained by the image forming backscattered detected photons.
NASA Technical Reports Server (NTRS)
Lee, Zhong-Ping; Carder, Kendall L.
2001-01-01
A multi-band analytical (MBA) algorithm is developed to retrieve absorption and backscattering coefficients for optically deep waters, which can be applied to data from past and current satellite sensors, as well as data from hyperspectral sensors. This MBA algorithm applies a remote-sensing reflectance model derived from the Radiative Transfer Equation, and values of absorption and backscattering coefficients are analytically calculated from values of remote-sensing reflectance. There are only limited empirical relationships involved in the algorithm, which implies that this MBA algorithm could be applied to a wide dynamic range of waters. Applying the algorithm to a simulated non-"Case 1" data set, which has no relation to the development of the algorithm, the percentage error for the total absorption coefficient at 440 nm a (sub 440) is approximately 12% for a range of 0.012 - 2.1 per meter (approximately 6% for a (sub 440) less than approximately 0.3 per meter), while a traditional band-ratio approach returns a percentage error of approximately 30%. Applying it to a field data set ranging from 0.025 to 2.0 per meter, the result for a (sub 440) is very close to that using a full spectrum optimization technique (9.6% difference). Compared to the optimization approach, the MBA algorithm cuts the computation time dramatically with only a small sacrifice in accuracy, making it suitable for processing large data sets such as satellite images. Significant improvements over empirical algorithms have also been achieved in retrieving the optical properties of optically deep waters.
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.
NASA Technical Reports Server (NTRS)
Herbst, E.; Leung, C. M.
1986-01-01
In order to incorporate large ion-polar neutral rate coefficients into existing gas phase reaction networks, it is necessary to utilize simplified theoretical treatments because of the significant number of rate coefficients needed. The authors have used two simple theoretical treatments: the locked dipole approach of Moran and Hamill for linear polar neutrals and the trajectory scaling approach of Su and Chesnavich for nonlinear polar neutrals. The former approach is suitable for linear species because in the interstellar medium these are rotationally relaxed to a large extent and the incoming charged reactants can lock their dipoles into the lowest energy configuration. The latter approach is a better approximation for nonlinear neutral species, in which rotational relaxation is normally less severe and the incoming charged reactants are not as effective at locking the dipoles. The treatments are in reasonable agreement with more detailed long range theories and predict an inverse square root dependence on kinetic temperature for the rate coefficient. Compared with the locked dipole method, the trajectory scaling approach results in rate coefficients smaller by a factor of approximately 2.5.
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.
NASA Astrophysics Data System (ADS)
Denisov, Vasilii
2016-08-01
In this report, we study sufficient conditions on the lower order coefficients of a parabolic equation guaranteeing the power rate of the uniform stabilization to zero of the solution to the Cauchy problem on every compact K in RN and for any bounded initial function.
Preliminary Report on Use of Self-Ratings to Provide J-Coefficient Data.
ERIC Educational Resources Information Center
Primoff, Ernest S.
This report shows how Beta weights for the J-Coefficient may be easily developed without a formal validity study, and indicates how indications of ability other than tests can be used to measure the same abilities that are measured by tests. See also TM 001 163-64,166 for further information on job elements (J-Scale) procedures. (Author/DLG)
NASA Astrophysics Data System (ADS)
Degrelle, D.; Mavon, C.; Groetz, J.-E.
2016-04-01
This study presents a numerical method in order to determine the mass attenuation coefficient of a sample with an unknown chemical composition at low energy. It is compared with two experimental methods: a graphic method and a transmission method. The method proposes to realise a numerical absorption calibration curve to process experimental results. Demineralised water with known mass attenuation coefficient (0.2066cm2g-1 at 59.54 keV) is chosen to confirm the method. 0.1964 ± 0.0350cm2g-1 is the average value determined by the numerical method, that is to say less than 5% relative deviation compared to more than 47% for the experimental methods.
Ghysels, M; Durry, G; Amarouche, N
2013-04-15
By using a tunable diode laser absorption spectrometer in conjunction with a cryogenically cooled multipath cell, we have revisited the air-induced pressure-broadening coefficients and the narrowing coefficients related to the Dicke effect, as well as the temperature dependences, for the R(18) and R(20) lines of the (10°1)I←(00°0) vibrational band at 2.68 μm of carbon dioxide. The selected transitions are used to probe in situ CO2 in the troposphere and the lower stratosphere by using balloon-borne laser sensors. The achieved measurements are thoroughly compared to existing former determinations. The impact of processing the in situ atmospheric CO2 spectra with this new set of molecular data is reported.
NASA Astrophysics Data System (ADS)
Deckers, Elke; Claeys, Claus; Atak, Onur; Groby, Jean-Philippe; Dazel, Olivier; Desmet, Wim
2016-05-01
This paper presents an extension to the Wave Based Method to predict the absorption, reflection and transmission coefficients of a porous material with an embedded periodic set of inclusions. The porous unit cell is described using the Multi-Level methodology and by embedding Bloch-Floquet periodicity conditions in the weighted residual scheme. The dynamic pressure field in the semi-infinite acoustic domains is approximated using a novel wave function set that fulfils the Helmholtz equation, the Bloch-Floquet periodicity conditions and the Sommerfeld radiation condition. The method is meshless and computationally efficient, which makes it well suited for optimisation studies.
Mass Loss Rates for Solar-like Stars Measured from Lyα Absorption
NASA Astrophysics Data System (ADS)
Wood, B. E.; Müller, H.-R.; Linsky, J. L.
2003-10-01
We present a number of mass loss rate measurements for solar-like stars with coronal winds, computed using a Lyα absorption technique. The collision between the solar wind and the interstellar wind seen by the Sun defines the large scale structure of our heliosphere. Similar structures, ``astrospheres,'' exist around other solar-like stars. The deceleration of the interstellar wind at the solar or stellar bow shock heats the interstellar material. Heated neutral hydrogen in the outer astrosphere (and/or heliosphere) produces a broad Lyα absorption profile that is often detectable in high resolution Hubble Space Telescope spectra. The amount of absorption is dependent upon the strength of the stellar wind. With guidance from hydrodynamic models of astrospheres, we use detected astrospheric Lyα absorption to estimate the stellar mass loss rates. For the solar-like GK stars in our sample, mass loss appears to increase with stellar activity, suggesting that young, active stars have stronger winds than old, inactive stars. However, Proxima Cen (M5.5 Ve) and λ And (G8 IV-III+M V) appear to be inconsistent with this relation.
LABORATORY STUDY OF RATE COEFFICIENTS FOR H{sub 2}O:He INELASTIC COLLISIONS BETWEEN 20 AND 120 K
Tejeda, G.; Moreno, E.; Fernández, J. M.; Montero, S.; Carmona-Novillo, E.; Hernández, M. I.
2015-01-01
State-to-state rate coefficients for ortho-H{sub 2}O:He and para-H{sub 2}O:He inelastic collisions in the 20-120 K thermal range are investigated by means of an improved experimental procedure. This procedure is based on the use of a kinetic master equation (MEQ) which describes the evolution of populations of H{sub 2}O rotational levels along a supersonic jet of H{sub 2}O highly diluted in helium. The MEQ is expressed in terms of experimental observables and rate coefficients for H{sub 2}O:He inelastic collisions. The primary experimental observables are the local number density and the populations of the rotational energy levels of H{sub 2}O, quantities which are determined along the jet with unprecedented accuracy by means of Raman spectroscopy with high space resolution. Sets of rate coefficients from the literature and from present close-coupling calculations using two different potential energy surfaces (PESs) have been tested against the experiment. The Green et al. rate coefficients are up to 50% too low compared to the experiment, while most rates calculated here from the Hodges et al. PES and the Patkowski et al. PES are much closer to the experimental values. Experimental rates with an estimated accuracy on the order of 10% have been obtained for ortho-H{sub 2}O:He and para-H{sub 2}O:He inelastic collisions between 20 and 120 K by scaling and averaging the theoretical rates to the experiment.
NASA Astrophysics Data System (ADS)
Coïsson, M.; Barrera, G.; Celegato, F.; Martino, L.; Vinai, F.; Martino, P.; Ferraro, G.; Tiberto, P.
2016-10-01
An experimental setup for magnetic hyperthermia operating in non-adiabatic conditions is described. A thermodynamic model that takes into account the heat exchanged by the sample with the surrounding environment is developed. A suitable calibration procedure is proposed that allows the experimental validation of the model. Specific absorption rate can then be accurately determined just from the measurement of the sample temperature at the equilibrium steady state. The setup and the measurement procedure represent a simplification with respect to other systems requiring calorimeters or crucial corrections for heat flow. Two families of magnetic nanoparticles, one superparamagnetic and one characterised by larger sizes and static hysteresis, have been characterised as a function of field intensity, and specific absorption rate and intrinsic loss power have been obtained.
Specific absorption rate analysis of broadband mobile antenna with negative index metamaterial
NASA Astrophysics Data System (ADS)
Alam, Touhidul; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul
2016-03-01
This paper presents a negative index metamaterial-inspired printed mobile wireless antenna that can support most mobile applications such as GSM, UMTS, Bluetooth and WLAN frequency bands. The antenna consists of a semi-circular patch, a 50Ω microstrip feed line and metamaterial ground plane. The antenna occupies a very small space of 37 × 47 × 0.508 mm3, making it suitable for mobile wireless application. The perceptible novelty shown in this proposed antenna is that reduction of specific absorption rate using the negative index metamaterial ground plane. The proposed antenna reduced 72.11 and 75.53 % of specific absorption rate at 1.8 and 2.4 GHz, respectively.
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.
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.
Absorption cross-section and decay rate of rotating linear dilaton black holes
NASA Astrophysics Data System (ADS)
Sakalli, I.; Aslan, O. A.
2016-02-01
We analytically study the scalar perturbation of non-asymptotically flat (NAF) rotating linear dilaton black holes (RLDBHs) in 4-dimensions. We show that both radial and angular wave equations can be solved in terms of the hypergeometric functions. The exact greybody factor (GF), the absorption cross-section (ACS), and the decay rate (DR) for the massless scalar waves are computed for these black holes (BHs). The results obtained for ACS and DR are discussed through graphs.
NASA Astrophysics Data System (ADS)
Regan, S. P.; Epstein, R.; Goncharov, V. N.; Igumenshchev, I. V.; Li, D.; Radha, P. B.; Sawada, H.; Seka, W.; Boehly, T. R.; Delettrez, J. A.; Gotchev, O. V.; Knauer, J. P.; Marozas, J. A.; Marshall, F. J.; McCrory, R. L.; McKenty, P. W.; Meyerhofer, D. D.; Sangster, T. C.; Shvarts, D.; Skupsky, S.; Smalyuk, V. A.; Yaakobi, B.; Mancini, R. C.
2007-05-01
Direct-drive laser absorption, mass ablation rate, and shock heating are experimentally studied on the OMEGA Laser System [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] to validate hydrodynamics simulations. High-gain, direct-drive inertial confinement fusion target implosions require accurate predictions of the shell adiabat α (entropy), defined as the pressure in the main fuel layer to the Fermi-degenerate pressure, and the implosion velocity of the shell. The laser pulse shape determines the shell adiabat and the hydrodynamic efficiency determines the implosion velocity. A comprehensive set of measurements tracking the flow of energy from the laser to the target was conducted. Time-resolved measurements of laser absorption in the corona are performed on spherical implosion experiments. The mass ablation rate is inferred from time-resolved Ti K-shell spectroscopic measurements of nonaccelerating, solid CH spherical targets with a buried tracer layer of Ti. Shock heating is diagnosed in planar-CH-foil targets using time-resolved x-ray absorption spectroscopy and noncollective spectrally resolved x-ray scattering. The highly reproducible experimental results achieved with a high level of laser drive uniformity [S. P. Regan et al., J. Opt. Soc. Am. B 22, 998 (2005)] constrain the modeling of direct-drive energy coupling. A detailed comparison of the experimental results and the simulations reveals that a single-value flux limiter in the thermal transport model cannot explain all of the experimental observables. Simulations of laser absorption measurements need a time-dependent flux limiter to match the data. Modeling of both resonance absorption and nonlocal effects in the electron thermal conduction from the critical density to the ablation front are underway to resolve the observed discrepancies.
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.
Strain Rate Effects on the Energy Absorption of Rapidly Manufactured Composite Tubes
Brighton, Aaron M; Forrest, Mark; Starbuck, J Michael; ERDMAN III, DONALD L; Fox, Bronwyn
2009-01-01
Quasi-static and intermediate rate axial crush tests were conducted on tubular specimens of Carbon/Epoxy (Toray T700/G83C) and Glass/Polypropylene (Twintex). The quasi-static tests were conducted at 10 mm/min (1.67x10-4 m/s); five different crush initiators were used. Tests at intermediate rates were performed at speeds of 0.25 m/s, 0.5 m/s, 0.75 m/s 1m/s, 2 m/s and 4 m/s. Quasi-static tests of tubular specimens showed high specific energy absorption (SEA) values with 86 kJ/kg for Carbon/Epoxy specimens. The specific energy absorption of the Glass/Polypropylene specimens was measured to be 29 kJ/kg. Results from the intermediate test rates showed that while a decrease in specific energy absorbed was observed as speeds increased, values did not fall below 55kj/kg for carbon specimens or 35 kJ/kg for the Glass/Polypropylene specimens. When compared with steel and aluminium, specific energy absorption values of 15 kJ/kg and 30 kJ/kg respectively, the benefits of using composite materials in crash structures are apparent.
Barseghyan, Manuk G; Restrepo, Ricardo L; Mora-Ramos, Miguel E; Kirakosyan, Albert A; Duque, Carlos A
2012-01-01
: The linear and nonlinear intraband optical absorption coefficients in GaAs three-dimensional single quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and electric field, applied along the growth direction of the heterostructure, the energies of the ground and first excited states of a donor impurity have been found using the effective mass approximation and a variational method. The energies of these states are examined as functions of the dimensions of the structure, electric field, and hydrostatic pressure. We have also investigated the dependencies of the linear, nonlinear, and total optical absorption coefficients as a function of incident photon energy for several configurations of the system. It is found that the variation of distinct sizes of the structure leads to either a redshift and/or a blueshift of the resonant peaks of the intraband optical spectrum. In addition, we have found that the application of an electric field leads to a redshift, whereas the influence of hydrostatic pressure leads to a blueshift (in the case of on-ring-center donor impurity position) of the resonant peaks of the intraband optical spectrum. PMID:23021497
NASA Astrophysics Data System (ADS)
Rosati, B.; Weingartner, E.; Gysel, M.; Tillmann, R.; Mentel, T. F.; Decesari, S.; Marinoni, A.; Gobbi, G. P.; Fierli, F.; Cairo, F.; Bucci, S.; Zanatta, M.; Größ, J.; Baltensperger, U.
2014-12-01
Aerosol particles influence the Earth's radiation budget by interacting with the incoming sunlight. The chemical composition and size of aerosol particles determine their potential to scatter and absorb radiation as well as their capability to take up water (Zieger et al., 2011). If particles are hygroscopic their optical properties will be altered at enhanced relative humidities (RH) due to the increase in size and change in index of refraction. It is known that RH but also the chemical composition of aerosols change with altitude (Morgan et al., 2010) which makes it very important to investigate optical properties at different heights. Within the Pan-European Gas-Aerosols-climate interaction Study (PEGASOS) a set of instruments was installed on a Zeppelin to investigate changes of light scattering and absorption in the planetary boundary layer. In order to obtain the scattering properties, Mie calculations were performed for size distributions recorded with SMPS (scanning mobility particle sizer) and WELAS (optical size spectrometer). The index of refraction and the hygroscopicity of the aerosol particles were measured with the white-light humidified optical particle spectrometer (WHOPS). These measurements further allowed studying the RH-dependence of the optical properties. Moreover, a seven wavelength portable aethalometer was employed to determine the light absorption properties of the aerosol. In this work we will present vertical profiles of scattering and absorption coefficients measured during Zeppelin flights of the PEGASOS campaigns in Italy in 2012. Additionally comparisons with ground based measurements from nephelometers and aethalometers, as well as remote sensing results will be shown. W.T. Morgan et al., Enhancement of the aerosol direct radiative effect by semi-volatile aerosol components: Airborne measurements in North-Western Europe, Atmospheric Chemistry and Physics 10(2010), pp. 8151-8171.P. Zieger et al., Comparison of ambient aerosol
NASA Astrophysics Data System (ADS)
Shizgal, Bernie D.
2016-08-01
Nonclassical quadratures based on a new set of half-range polynomials, Tn(x) , orthogonal with respect to w(x) =e - x - b /√{ x } for x ∈ [ 0 , ∞) are employed in the efficient calculation of the nuclear fusion reaction rate coefficients from cross section data. The parameter b = B /√{kB T } in the weight function is temperature dependent and B is the Gamow factor. The polynomials Tn(x) satisfy a three term recurrence relation defined by two sets of recurrence coefficients, αn and βn. These recurrence coefficients define in turn the tridiagonal Jacobi matrix whose eigenvalues are the quadrature points and the weights are calculated from the first components of the eigenfunctions. For nonresonant nuclear reactions for which the astrophysical function can be expressed as a lower order polynomial in the relative energy, the convergence of the thermal average of the reactive cross section with this nonclassical quadrature is extremely rapid requiring in many cases 2-4 quadrature points. The results are compared with other libraries of nuclear reaction rate coefficient data reported in the literature.
NASA Technical Reports Server (NTRS)
Ohi, Nobuaki; Makinen, Carla P.; Mitchell, Richard; Moisan, Tiffany A.
2008-01-01
Ocean color algorithms are based on the parameterization of apparent optical properties as a function of inherent optical properties. WET Labs underwater absorption and attenuation meters (ac-9 and ac-s) measure both the spectral beam attenuation [c (lambda)] and absorption coefficient [a (lambda)]. The ac-s reports in a continuous range of 390-750 nm with a band pass of 4 nm, totaling approximately 83 distinct wavelengths, while the ac-9 reports at 9 wavelengths. We performed the ac-s field measurements at nine stations in the Mid-Atlantic Bight from water calibrations to data analysis. Onboard the ship, the ac-s was calibrated daily using Milli Q-water. Corrections for the in situ temperature and salinity effects on optical properties of water were applied. Corrections for incomplete recovery of the scattered light in the ac-s absorption tube were performed. The fine scale of spectral and vertical distributions of c (lambda) and a (lambda) were described from the ac-s. The significant relationships between a (674) and that of spectrophotometric analysis and chlorophyll a concentration of discrete water samples were observed.
Kandilian, Razmig; Pruvost, Jérémy; Legrand, Jack; Pilon, Laurent
2014-07-01
This study aims to understand the role of light transfer in triglyceride fatty-acid (TG-FA) cell content and productivity from microalgae during nitrogen starvation. Large amounts of TG-FA can be produced via nitrogen starvation of microalgae in photobioreactors exposed to intense light. First, spectral absorption and scattering cross-sections of N. oculata were measured at different times during nitrogen starvation. They were used to relate the mean volumetric rate of energy absorption (MVREA) per unit mass of microalgae to the TG-FA productivity and cell content. TG-FA productivity correlated with the MVREA and reached a maximum for MVREA of 13 μmol hν/gs. This indicated that TG-FA synthesis was limited by the photon absorption rate in the PBR. A minimum MVREA of 13 μmol hν/gs was also necessary at the onset of nitrogen starvation to trigger large accumulation of TG-FA in cells. These results will be instrumental in defining protocols for TG-FA production in scaled-up photobioreactors.
Greening, Gage J.; Istfan, Raeef; Higgins, Laura M.; Balachandran, Kartik; Roblyer, Darren; Pierce, Mark C.; Muldoon, Timothy J.
2014-01-01
Abstract. Optical phantoms are used in the development of various imaging systems. For certain applications, the development of thin phantoms that simulate the physical size and optical properties of tissue is important. Here, we demonstrate a method for producing thin phantom layers with tunable optical properties using poly(dimethylsiloxane) (PDMS) as a substrate material. The thickness of each layer (between 115 and 880 μm) was controlled using a spin coater. The reduced scattering and absorption coefficients were controlled using titanium dioxide and alcohol–soluble nigrosin, respectively. These optical coefficients were quantified at six discrete wavelengths (591, 631, 659, 691, 731, and 851 nm) at varying concentrations of titanium dioxide and nigrosin using spatial frequency domain imaging. From the presented data, we provide lookup tables to determine the appropriate concentrations of scattering and absorbing agents to be used in the design of PDMS-based phantoms with specific optical coefficients. In addition, heterogeneous phantoms mimicking the layered features of certain tissue types may be fabricated from multiple stacked layers, each with custom optical properties. These thin, tunable PDMS optical phantoms can simulate many tissue types and have broad imaging calibration applications in endoscopy, diffuse optical spectroscopic imaging, and optical coherence tomography, etc. PMID:25387084
Groth, Angela; Maurer, Claudia; Reiser, Martin; Kranert, Martin
2015-02-01
The aim of the work was to establish a method for emission control of biogas plants especially the observation of fugitive methane emissions. The used method is in a developmental stage but the topic is crucial to environmental and economic issues. A remote sensing measurement method was adopted to determine methane emission rates of a biogas plant in Rhineland-Palatinate, Germany. An inverse dispersion model was used to deduce emission rates. This technique required one concentration measurement with an open path tunable diode laser absorption spectrometer (TDLAS) downwind and upwind the source and basic wind information, like wind speed and direction. Different operating conditions of the biogas plant occurring on the measuring day (December 2013) could be represented roughly in the results. During undisturbed operational modes the methane emission rate averaged 2.8 g/s, which corresponds to 4% of the methane gas production rate of the biogas plant.
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.
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.
New constraints in absorptive capacity and the optimum rate of petroleum output
El Mallakh, R
1980-01-01
Economic policy in four oil-producing countries is analyzed within a framework that combines a qualitative assessment of the policy-making process with an empirical formulation based on historical and current trends in these countries. The concept of absorptive capacity is used to analyze the optimum rates of petroleum production in Iran, Iraq, Saudi Arabia, and Kuwait. A control solution with an econometric model is developed which is then modified for alternative development strategies based on analysis of factors influencing production decisions. The study shows the consistencies and inconsistencies between the goals of economic growth, oil production, and exports, and the constraints on economic development. Simulation experiments incorporated a number of the constraints on absorptive capacity. Impact of other constraints such as income distribution and political stability is considered qualitatively. (DLC)
NASA Astrophysics Data System (ADS)
Burkholder, J. B.; Baasandorj, M.; Fleming, E. L.; Jackman, C. H.
2012-12-01
A key stratospheric loss process for ozone depleting substances (ODSs) and greenhouse gases (GHGs) is their gas-phase reaction with electronically excited oxygen atoms, O(1D). Although numerous O(1D) reactions have been studied in the past, large uncertainties in the recommended rate coefficients and reactive yields, i.e., loss of ODS or GHG, for use in atmospheric modeling still exist for a number of key compounds. Our understanding of the coupling of atmospheric chemistry and climate-change requires the most accurate reaction rate coefficient data to be used in climate-change model calculations. In this presentation, results from an extensive laboratory study of the total reaction rate coefficient, corresponding to loss of O(1D), and reactive rate coefficients, corresponding to the loss of the reactant compound, will be presented for the ODSs: CFCl3 (CFC-11), CF2Cl2 (CFC-12), CFCl2CF2Cl (CFC-113), CF2ClCF2Cl (CFC-114), CF3CF2Cl (CFC-115), HClCF2 (HCFC-22), CH3CClF2 (HCFC-142b); GHGs: CHF3 (HFC-23), CHF2CF3 (HFC-125), CF3CHCF3 (HFC-227ea), and CF3CH3 (HFC-143a); and the persistent (long-lived) GHGs: NF3, SF5CF3, C2F6, c-C4F8, n-C5F12, and n-C6F14. The results from this work will be compared with results from previous studies and discrepancies discussed along with the atmospheric implications of the improved kinetic dataset on the atmospheric lifetimes of these compounds.
Hernández S, A. E-mail: meduardo2001@hotmail.com; Cano, M. E. E-mail: meduardo2001@hotmail.com; Torres-Arenas, J.
2014-11-07
Currently the absorption of electromagnetic radiation by magnetic nanoparticles is studied for biomedical applications of cancer thermotherapy. Several experiments are conduced following the framework of the Rosensweig model, in order to estimate their specific absorption rate. Nevertheless, this linear approximation involves strong simplifications which constrain their accuracy and validity range. The main aim of this work is to incorporate the deviation of the sphericity assumption in particles shapes, to improve the determination of their specific absorption rate. The correction to the effective particles volume is computed as a measure of the apparent amount of magnetic material, interacting with the external AC magnetic field. Preliminary results using the physical properties of Fe3O4 nanoparticles, exhibit an important correction in their estimated specific absorption rate, as a function of the apparent mean particles radius. Indeed, we have observed using a small deviation (6% of the apparent radius), up to 40% of the predicted specific absorption rate by the Rosensweig linear approximation.
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.
NASA Technical Reports Server (NTRS)
Chang, T.; Torr, D. G.; Richards, P. G.; Solomon, S. C.
1993-01-01
O(+)(2P) is an important species for studies of the ionosphere and thermosphere: its emission at 7320 A can be used as a diagnostic of the thermospheric atomic oxygen density. Unfortunately, there are no laboratory measurements of the O and N2 reaction rates which are needed to determine the major sinks of (O+)(2p). We have recalculated the O and N2 reaction rates for O(+) (2P) using recent improvements in the solar EUV flux, cross sections, and photoelectron fluxes. For the standard solar EUV flux, the new N2 reaction rate of 3.4 +/- 1.5 x 10 exp -10 cu cm/s is close to the value obtained by Rusch et al. (1977), but the new O reaction rate of 4.0 +/- 1.9 x 10 exp -10 cu cm/sec is about 8 times larger. These new reaction rates are derived using neutral densities, electron density, and solar EUV fluxes measured by Atmosphere Explorer C in 1974 during solar minimum. The new theoretical emission rates are in good agreement with the data for the two orbits studied by Rusch et al.
NASA Astrophysics Data System (ADS)
Narayanan, S.; Mohan Kumar, M.; Hassanizadeh, S. M.; Raoof, A.
2014-12-01
The colloid deposition behavior observed at the Darcy scale represents an average of the processes occurring at the pore scale. Hence, a better understanding of the processes occurring at the Darcy scale can be obtained by studying colloid transport at the pore-scale and then upscaling the results. In this study, we have developed a mathematical model to simulate the transport of colloids in a cylindrical pore by considering various processes such as advection, diffusion, colloid-soil surface interactions and hydrodynamic wall effects. The pore space is divided into three different regions, namely, the bulk, diffusion and potential regions, based on the dominant processes acting in each of these regions. In the bulk region, colloid transport is governed by advection and diffusion; whereas in the diffusion region, colloid mobility due to diffusion is retarded by hydrodynamic wall effects. Colloid-solid interaction forces dominate the transport in the potential region where colloid deposition occurs and are calculated using DLVO theory. The expressions for mass transfer rate coefficients between the diffusion and potential regions have been derived for different DLVO energy profiles. These are incorporated in the pore-scale equations in the form of a boundary condition at the diffusion-potential region interface. The model results are used to obtain the colloid breakthrough curve at the end of a long pore, and then it is fitted with 1D advection-dispersion-adsorption model so as to determine the averaged attachment and detachment rate coefficients at the scale of a single pore. A sensitivity analysis of the model to six pore-scale parameters (colloid and wall surface potentials, solution ionic strength, average pore-water velocity, colloid radius, and pore radius) is carried out so as to find the relation between the averaged deposition rate coefficients at pore scale vs the pore-scale parameters. We found an hyper exponential relation between the colloid attachment
Feng, Hanlin; Xiao, Shilin; Fok, Mable P
2015-08-24
we propose a bit-rate transparent interferometric noise mitigation scheme utilizing the nonlinear modulation curve of electro-absorption modulator (EAM). Both the zero-slope region and the linear modulation region of the nonlinear modulation curve are utilized to suppress interferometric noise and enlarge noise margin of degraded eye diagrams. Using amplitude suppression effect of the zero-slope region, interferometric noise at low frequency range is suppressed successfully. Under different signal to noise ratio (SNR), we measured the power penalties at bit error rate (BER) of 10<(-9) with and without EAM interferometric noise suppression. By using our proposed scheme, power penalty improvement of 8.5 dB is achieved in a signal with signal-to-noise ratio of 12.5 dB. BER results at various bit rates are analyzed, error floors for each BER curves are removed, significantly improvement in receiver sensitivity and widely opened eye diagrams are resulted.
Lipid nanoparticles with no surfactant improve oral absorption rate of poorly water-soluble drug.
Funakoshi, Yuka; Iwao, Yasunori; Noguchi, Shuji; Itai, Shigeru
2013-07-15
A pharmacokinetic study was performed in rats to evaluate the oral absorption ratios of nanoparticle suspensions containing the poorly water-soluble compound nifedipine (NI) and two different types of lipids, including hydrogenated soybean phosphatidylcholine and dipalmitoylphosphatidylglycerol. NI-lipid nanoparticle (LN) suspensions with a mean particle size of 48.0 nm and a zeta potential of -57.2 mV were prepared by co-grinding combined with a high-pressure homogenization process. The oral administration of NI-LN suspensions to rats led to a significant increase in the NI plasma concentration, and the area under the curve (AUC) value was found to be 108 min μg mL⁻¹, indicating a 4-fold increase relative to the NI suspensions. A comparison of the pharmacokinetic parameters of the NI-LN suspensions with those of the NI solution prepared using only the surfactant polysorbate 80 revealed that although the AUC and bioavailability (59%) values were almost identical, a rapid absorption rate was still observed in the NI-LN suspensions. These results therefore indicated that lipid nanoparticles prepared using only two types of phospholipid with a mean particle size of less than 50 nm could improve the absorption of the poorly water-soluble drug.
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
NASA Astrophysics Data System (ADS)
Hoge, Frank E.; Vodacek, Anthony; Swift, Robert N.; Yungel, James K.; Blough, Neil V.
1995-10-01
The absorption coefficient of chromophoric dissolved organic matter (CDOM) at 355 nm has been retrieved from airborne laser-induced and water Raman-normalized CDOM fluorescence. Four combined airborne and ship field experiments have demonstrated that (1) the airborne CDOM fluorescence-to--water Raman ratio is linearly related to concurrent quinine-sulfate-standardized CDOM shipboard fluorescence measurements over a wide range of water masses (coastal to blue water); (2) the vicarious calibration of the airborne fluorosensor in units traceable to a fluorescence standard can be established and then maintained over an extended time period by tungsten lamp calibration; (3) the vicariously calibrated airborne CDOM fluorescence-to-water Raman ratio can be directly applied to previously developed
Tanifuji, T; Wang, L
2014-01-01
Absorption and reduced scattering coefficients (μ(a) and μ'(s)) of adult heads have been noninvasively determined by time-resolved reflectance measurements. The finite difference time domain (FDTD) analysis was used to calculate time-resolved reflectance from realistic adult head models with brain grooves containing a non-scattering layer. In vivo time-resolved reflectances of human heads were measured by a system composed of a time-correlated single photon counter and a diode laser. By minimizing the objective functions that compare theoretical and experimental time resolved reflectances, μ(a) and μ'(s) of brain were determined. It became clear that time-resolved measurements have enough sensitivity to determine both μ(a) and μ'(s) for superficial tissues, gray matter and white matter, except μ(s) for white matter.
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
Kocyła, Anna; Pomorski, Adam; Krężel, Artur
2015-11-01
4-(2-Pyridylazo)resorcinol (PAR) is one of the most popular chromogenic chelator used in the determination of the concentrations of various metal ions from the d, p and f blocks and their affinities for metal ion-binding biomolecules. The most important characteristics of such a sensor are the molar absorption coefficient and the metal-ligand complex dissociation constant. However, it must be remembered that these values are dependent on the specific experimental conditions (e.g. pH, solvent components, and reactant ratios). If one uses these values to process data obtained in different conditions, the final result can be under- or overestimated. We aimed to establish the spectral properties and the stability of PAR and its complexes accurately with Zn(2+), Cd(2+), Hg(2+), Co(2+), Ni(2+), Cu(2+), Mn(2+) and Pb(2+) at a multiple pH values. The obtained results account for the presence of different species of metal-PAR complexes in the physiological pH range of 5 to 8 and have been frequently neglected in previous studies. The effective molar absorption coefficient at 492 nm for the ZnHx(PAR)2 complex at pH7.4 in buffered water solution is 71,500 M(-1) cm(-1), and the dissociation constant of the complex in these conditions is 7.08×10(-13) M(2). To confirm these values and estimate the range of the dissociation constants of zinc-binding biomolecules that can be measured using PAR, we performed several titrations of zinc finger peptides and zinc chelators. Taken together, our results provide the updated parameters that are applicable to any experiment conducted using inexpensive and commercially available PAR.
Brown, Samuel M.; Tate, M. Quinn; Jones, Jason P.; Kuttler, Kathryn G.; Lanspa, Michael; Rondina, Matthew T.; Grissom, Colin K.; Mathews, V.J.
2014-01-01
Purpose Determine whether variability of coarsely sample heart rate and blood pressure early in the course of severe sepsis and septic shock predicts successful resuscitation, defined as vasopressor independence at 24 hours after admission. Methods In an observational study of patients admitted with severe sepsis or septic shock from 2009 to 2011 to one of two ICUs at a tertiary-care hospital, in whom blood pressure was measured via an arterial catheter, we sampled heart rate and blood pressure every 30 seconds over the first six hours of ICU admission and calculated coefficient of variability of those measurements. Primary outcome was vasopressor independence at 24 hours; secondary outcome was 28-day mortality. Results We studied 165 patients, of which 97 (59%) achieved vasopressor independence at 24 hours. Overall 28-day mortality was 15%. Significant predictors of vasopressor independence at 24 hours included the coefficient of variation of heart rate, age, APACHE II, the number of increases in vasopressor dose, mean vasopressin dose, mean blood pressure, and time-pressure integral of mean blood pressure below 60mm Hg. Lower sampling frequencies (up to once every 5 minutes) did not affect the findings. Conclusions Increased variability of coarsely sampled heart rate was associated with vasopressor independence at 24 hours after controlling for possible confounders. Sampling frequencies of once in five minutes may be similar to once in 30 seconds. PMID:24578465
NASA Astrophysics Data System (ADS)
Glover, Simon C. O.
2015-11-01
We investigate how uncertainties in the chemical and cooling rate coefficients relevant for a metal-free gas influence our ability to determine the critical ultraviolet field strength required to suppress H2 cooling in high-redshift atomic cooling haloes. The suppression of H2 cooling is a necessary prerequisite for the gas to undergo direct collapse and form an intermediate mass black hole. These black holes can then act as seeds for the growth of the supermassive black holes (SMBHs) observed at redshifts z ˜ 6. The viability of this model for SMBH formation depends on the critical ultraviolet field strength, Jcrit: if this is too large, then too few seeds will form to explain the observed number density of SMBHs. We show in this paper that there are five key chemical reactions whose rate coefficients are uncertain enough to significantly affect Jcrit. The most important of these is the collisional ionization of hydrogen by collisions with other hydrogen atoms, as the rate for this process is very poorly constrained at the low energies relevant for direct collapse. The total uncertainty introduced into Jcrit by this and the other four reactions could in the worst case approach a factor of five. We also show that the use of outdated or inappropriate values for the rates of some chemical reactions in previous studies of the direct collapse mechanism may have significantly affected the values of Jcrit determined by these studies.
NASA Astrophysics Data System (ADS)
Montes-Hugo, Martin; Xie, Huxiang
2015-10-01
The inversion of individual inherent optical properties (IOPs) is very challenging in optically complex waters and within the violet spectral range (i.e., 380-450 nm) due to the strong light attenuation caused by chromophoric dissolved organic matter, nonalgal particulates, and phytoplankton. Here we present a technique to better discriminate light absorption contributions due to phytoplankton based on a hybrid model (QAA-hybrid) that combines regional Saint Lawrence System estimates of IOPs derived from a quasi-analytical algorithm (hereafter QAA-SLE) and empirical relationships between salinity and IOPs. Preliminary results in the Saint Lawrence System during May 2000 and April 2001 showed that QAA-hybrid estimates of phytoplankton absorption coefficient at 443 nm have a smaller bias with respect to in situ measurements (root-mean-square deviation, RMSD = 0.156) than those derived from QAA-SLE (RMSD = 0.341). These results were valid for surface waters (i.e., 0-5 m depth) of the lower estuary with a salinity and chlorophyll-a concentration range of 22-28 psu and 2.1-13.8 mg m-3, respectively.
The absorption efficiency and respiration rate of the Florida lancelet, Branchiostoma floridae.
Nash, Troy R; Ruppert, Edward E; Colacino, James M
2009-12-01
The present study investigates some aspects of the digestive biology and physiological energetics of the Florida lancelet, Branchiostoma floridae. Florida lancelets are able to remove 47.2-56.9% of the energy from a diet of mixed algae. The respiration rate is 0.100mL O(2) (STPD) h(-1) g(-1) (wet), which estimates a metabolic rate of 0.248 J h(-1), at an average body mass of 0.125 g (wet). Published values of the chlorophyll a concentration in its natural habitat indicate that a 125 mg lancelet would need to filter 0.018-0.031 L h(-1) to remove sufficient food to support its resting metabolism. The filtration rate of lancelets has been reported as 0.138 L h(-1), indicating that the actual filtration rate is 4-7 times greater than the filtration rate needed to meet resting metabolic demands. It appears that lancelets have the potential to be raised in aquaculture, because their absorption efficiency and respiration rate are comparable to suspension-feeding invertebrates that have been successfully aquacultured.
Jubb, Aaron M; Gierczak, Tomasz; Baasandorj, Munkhbayar; Waterland, Robert L; Burkholder, James B
2014-05-01
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.
Sato, Chie; Shimada, Miho; Tanikawa, Yukari; Hoshi, Yoko
2013-09-01
Expanding our previously proposed "time segment analysis" for a two-layered turbid medium, this study attempted to selectively determine the absorption coefficient (μa) of the bottom layer in a four-layered human head model with time-domain near-infrared measurements. The difference curve in the temporal profiles of the light attenuation between an object and a reference medium, which are obtained from Monte Carlo simulations, is divided into segments along the time axis, and a slope for each segment is calculated to obtain the depth-dependent μa(μaseg). The reduced scattering coefficient (μs') of the reference is determined by curve fitting with the temporal point spread function derived from the analytical solution of the diffusion equation to the time-resolved reflectance of the object. The deviation of μaseg from the actual μa is expressed by a function of the ratio of μaseg in an earlier time segment to that in a later segment for mediums with different optical properties and thicknesses of the upper layers. Using this function, it is possible to determine the μa of the bottom layer in a four-layered epoxy resin-based phantom. These results suggest that the method reported here has potential for determining the μa of the cerebral tissue in humans.
Papadimitriou, Vassileios C; Spitieri, Christina S; Papagiannakopoulos, Panos; Cazaunau, Mathieu; Lendar, Maria; Daële, Véronique; Mellouki, Abdelwahid
2015-10-14
The rate coefficients for the gas phase reactions of OH radicals, k1, Cl atoms, k2, and O3, k3, with 3,3,3-trifluoro-2(trifluoromethyl)-1-propene ((CF3)2C=CH2, hexafluoroisobutylene, HFIB) were determined at room temperature and atmospheric pressure employing the relative rate method and using two atmospheric simulation chambers and a static photochemical reactor. OH and Cl rate coefficients obtained by both techniques were indistinguishable, within experimental precision, and the average values were k1 = (7.82 ± 0.55) × 10(-13) cm(3) molecule(-1) s(-1) and k2 = (3.45 ± 0.24) × 10(-11) cm(3) molecule(-1) s(-1), respectively. The quoted uncertainties are at 95% level of confidence and include the estimated systematic uncertainties. An upper limit for the O3 rate coefficient was determined to be k3 < 9.0 × 10(-22) cm(3) molecule(-1) s(-1). In global warming potential (GWP) calculations, radiative efficiency (RE) was determined from the measured IR absorption cross-sections and treating HFIB both as long (LLC) and short (SLC) lived compounds, including estimated lifetime dependent factors in the SLC case. The HFIB lifetime was estimated from kinetic measurements considering merely the OH reaction, τOH = 14.8 days and including both OH and Cl chemistry, τeff = 10.3 days. Therefore, GWP(HFIB,OH) and GWP(HFIB,eff) were estimated to be 4.1 (LLC) and 0.6 (SLC), as well as 2.8 (LLC) and 0.3 (SLC) for a hundred year time horizon. Moreover, the estimated photochemical ozone creation potential (ε(POCP)) of HFIB was calculated to be 4.60. Finally, HCHO and (CF3)2C(O) were identified as final oxidation products in both OH- and Cl-initiated oxidation, while HC(O)Cl was additionally observed in the Cl-initiated oxidation. PMID:26372403
Tono-oka, T; Kaneko, I
1993-05-01
The daily level of physical activity was estimated using the heart rate monitor, PE3000 (Polar Electro, Finland). The level was expressed with the coefficient of variation (CV) of heart rates recorded from waking time to dinner time. In the course of a day of intense physical activity, CV was confirmed to rise significantly. Then the CV was estimated and compared among 3 age classes, young (10-18 years), middle-aged (30-47 years), and elderly (62-76 years). The CVs of young people were significantly higher than those of middle-aged (P < 0.001) and elderly (P < 0.01), regardless of sex. However there was no significant sex difference in all age classes. These results suggest that the CV is an accurate index of daily physical activity. Thus clinicians can use the CV of heart rates to estimate the level of physical activity of individuals which closely relates to QOL.
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. PMID:27120652
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.
Drexler, J.Z.; Anderson, F.E.; Snyder, R.L.
2008-01-01
The surface renewal method was used to estimate evapotranspiration (ET) for a restored marsh on Twitchell Island in the Sacramento-San Joaquin Delta, California, USA. ET estimates for the marsh, together with reference ET measurements from a nearby climate station, were used to determine crop coefficients over a 3-year period during the growing season. The mean ET rate for the study period was 6 mm day-1, which is high compared with other marshes with similar vegetation. High ET rates at the marsh may be due to the windy, semi-arid Mediterranean climate of the region, and the permanently flooded nature of the marsh, which results in very low surface resistance of the vegetation. Crop coefficient (Kc) values for the marsh ranged from 0.73 to 1.18. The mean Kc value over the entire study period was 0-95. The daily Kc values for any given month varied from year to year, and the standard deviation of daily Kc values varied between months. Although several climate variables were undoubtedly responsible for this variation, our analysis revealed that wind direction and the temperature of standing water in the wetland were of particular importance in determining ET rates and Kc values.
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.
NASA Astrophysics Data System (ADS)
Dash, Manas Ranjan; Rajakumar, B.
2013-11-01
Rate coefficient for the reaction of β-pinene with OH radicals was determined at 298 K and 800 Torr of N2 using the relative rate technique. Isobutylene was used as a reference compound and the concentrations of the organics were followed by gas chromatographic analysis. The rate coefficient for the reaction of β-pinene with OH radical was measured to be (9.35 ± 2.79) × 10-11 cm3 molecule-1 s-1. Theoretical kinetic calculations were also performed for the title reaction using canonical variational transition state theory (CVT) with small-curvature tunneling (SCT). The kinetics data obtained over the temperature range of 200-400 K were used to derive the Arrhenius expression: k(T) = 8.24 × 10-23T3.41 exp[2421/T] cm3 molecule-1 s-1. The OH-driven atmospheric lifetime (τ) and global warming potential (GWP) for β-pinene were computed and concluded that β-pinene is very short lived (2.5 h) in the Earth's atmosphere with a GWP of 1.6 × 10-2 at 20 years horizon of time and which is negligible. The ozone formation potential of β-pinene was also calculated and reported in this present work.
Cheung, Cecilia Y; Beardall, Michael K; Anderson, Debra F; Brace, Robert A
2014-08-01
We hypothesized that prostaglandin E2 (PGE2) stimulates amniotic fluid transport across the amnion by upregulating vascular endothelial growth factor (VEGF) expression in amnion cells and that amniotic PGE2 concentration correlates positively with intramembranous (IM) absorption rate in fetal sheep. The effects of PGE2 at a range of concentrations on VEGF 164 and caveolin-1 gene expressions were analyzed in cultured ovine amnion cells. IM absorption rate, amniotic fluid (AF) volume, and PGE2 concentration in AF were determined in late-gestation fetal sheep during control conditions, isovolumic fetal urine replacement (low IM absorption rate), or intra-amniotic fluid infusion (high IM absorption rate). In ovine amnion cells, PGE2 induced dose- and time-dependent increases in VEGF 164 mRNA levels and reduced caveolin-1 mRNA and protein levels. VEGF receptor blockade abolished the caveolin-1 response, while minimally affecting the VEGF response to PGE2. In sheep fetuses, urine replacement reduced amniotic PGE2 concentration by 58%, decreased IM absorption rate by half, and doubled AF volume (P < 0.01). Intra-amniotic fluid infusion increased IM absorption rate and AF volume (P < 0.01), while amniotic PGE2 concentration was unchanged. Neither IM absorption rate nor AF volume correlated with amniotic PGE2 concentration under each experimental condition. Although PGE2 at micromolar concentrations induced dose-dependent responses in VEGF and caveolin-1 gene expression in cultured amnion cells consistent with a role of PGE2 in activating VEGF to mediate AF transport across the amnion, amniotic PGE2 at physiological nanomolar concentrations does not appear to regulate IM absorption rate or AF volume.
Cheung, Cecilia Y; Anderson, Debra F; Brace, Robert A
2016-07-01
Aquaporins (AQPs) are transmembrane channel proteins that facilitate rapid water movement across cell membranes. In amniotic membrane, the AQP-facilitated transfer of water across amnion cells has been proposed as a mechanism for amniotic fluid volume (AFV) regulation. To investigate whether AQPs modulate AFV by altering intramembranous absorption (IMA) rate, we tested the hypothesis that AQP gene expression in the amnion is positively correlated with IMA rate during experimental conditions when IMA rate and AFV are modified over a wide range. The relative abundances of AQP1, AQP3, AQP8, AQP9, and AQP11 mRNA and protein were determined in the amnion of 16 late-gestation ovine fetuses subjected to 2 days of control conditions, urine drainage, urine replacement, or intraamniotic fluid infusion. AQP mRNA levels were determined by RT-qPCR and proteins by western immunoblot. Under control conditions, mRNA levels among the five AQPs differed more than 20-fold. During experimental treatments, mean IMA rate in the experimental groups ranged from 100 ± 120 mL/day to 1370 ± 270 mL/day. The mRNA levels of the five AQPs did not change from control and were not correlated with IMA rates. The protein levels of AQP1 were positively correlated with IMA rates (r(2) = 38%, P = 0.01) while the remaining four AQPs were not. These findings demonstrate that five AQPs are differentially expressed in ovine amnion. Our study supports the hypothesis that AQP1 may play a positive role in regulating the rate of fluid transfer across the amnion, thereby participating in the dynamic regulation of AFV.
Cheung, Cecilia Y; Anderson, Debra F; Brace, Robert A
2016-07-01
Aquaporins (AQPs) are transmembrane channel proteins that facilitate rapid water movement across cell membranes. In amniotic membrane, the AQP-facilitated transfer of water across amnion cells has been proposed as a mechanism for amniotic fluid volume (AFV) regulation. To investigate whether AQPs modulate AFV by altering intramembranous absorption (IMA) rate, we tested the hypothesis that AQP gene expression in the amnion is positively correlated with IMA rate during experimental conditions when IMA rate and AFV are modified over a wide range. The relative abundances of AQP1, AQP3, AQP8, AQP9, and AQP11 mRNA and protein were determined in the amnion of 16 late-gestation ovine fetuses subjected to 2 days of control conditions, urine drainage, urine replacement, or intraamniotic fluid infusion. AQP mRNA levels were determined by RT-qPCR and proteins by western immunoblot. Under control conditions, mRNA levels among the five AQPs differed more than 20-fold. During experimental treatments, mean IMA rate in the experimental groups ranged from 100 ± 120 mL/day to 1370 ± 270 mL/day. The mRNA levels of the five AQPs did not change from control and were not correlated with IMA rates. The protein levels of AQP1 were positively correlated with IMA rates (r(2) = 38%, P = 0.01) while the remaining four AQPs were not. These findings demonstrate that five AQPs are differentially expressed in ovine amnion. Our study supports the hypothesis that AQP1 may play a positive role in regulating the rate of fluid transfer across the amnion, thereby participating in the dynamic regulation of AFV. PMID:27440743
Szabó, Milán; Wangpraseurt, Daniel; Tamburic, Bojan; Larkum, Anthony W D; Schreiber, Ulrich; Suggett, David J; Kühl, Michael; Ralph, Peter J
2014-10-01
Pulse Amplitude Modulation (PAM) fluorometry has been widely used to estimate the relative photosynthetic efficiency of corals. However, both the optical properties of intact corals as well as past technical constrains to PAM fluorometers have prevented calculations of the electron turnover rate of PSII. We used a new Multi-colour PAM (MC-PAM) in parallel with light microsensors to determine for the first time the wavelength-specific effective absorption cross-section of PSII photochemistry, σII(λ), and thus PAM-based absolute electron transport rates of the coral photosymbiont Symbiodinium both in culture and in hospite in the coral Pocillopora damicornis. In both cases, σII of Symbiodinium was highest in the blue spectral region and showed a progressive decrease towards red wavelengths. Absolute values for σII at 440 nm were up to 1.5-times higher in culture than in hospite. Scalar irradiance within the living coral tissue was reduced by 20% in the blue when compared to the incident downwelling irradiance. Absolute electron transport rates of P. damicornis at 440 nm revealed a maximum PSII turnover rate of ca. 250 electrons PSII(-1) s(-1), consistent with one PSII turnover for every 4 photons absorbed by PSII; this likely reflects the limiting steps in electron transfer between PSII and PSI. Our results show that optical properties of the coral host strongly affect light use efficiency of Symbiodinium. Therefore, relative electron transport rates do not reflect the productivity rates (or indeed how the photosynthesis-light response is parameterised). Here we provide a non-invasive approach to estimate absolute electron transport rates in corals.
NASA Technical Reports Server (NTRS)
Dateo, Christopher E.; Walch, Stephen P.
2002-01-01
As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.
NASA Astrophysics Data System (ADS)
Eleftheriadis, Konstantinos; Kalogridis, Athina-Cerise; Vratolis, Sterios; Fiebig, Markus
2016-04-01
Light absorbing carbon in atmospheric aerosol plays a critical role in radiative forcing and climate change. Despite the long term measurements across the Arctic, comparing data obtained by a variety of methods across stations requires caution. A method for extracting the aerosol absorption coefficient from data obtained over the decades by filter based instrument is still under development. An IASOA Aerosol working group has been initiated to address this and other cross-site aerosol comparison opportunities. Continuous ambient measurements of EBC/light attenuation by means of a Magee Sci. AE-31 aethalometer operating at the Zeppelinfjellet station (474 m asl; 78°54'N, 11°53'E), Ny Ålesund, Svalbard, have been available since 2001 (Eleftheriadis et al, 2009), while a new aethalometer model (AE33, Drinovec et al, 2014) has been installed to operate in parallel from the same inlet since June 2015. Measurements are recorded by a Labview routine collecting all available parameters reported by the two instrument via RS232 protocol. Data are reported at 1 and 10 minute intervals as averages for EBC (μg m-3) and aerosol absorption coefficients (Mm-1) by means of routine designed to report Near Real Time NRT data at the EBAS WDCA database (ebas.nilu.no) Results for the first 6 month period are reported here in an attempt to evaluate comparative performance of the two instruments in terms of their response with respect to the variable aerosol load of light absorbing carbon during the warm and cold seasons found in the high arctic. The application of available conversion schemes for obtaining the absorption coefficient by the two instruments is found to demonstrate a marked difference in their output. During clean periods of low aerosol load (EBC < 30 ng m-3), the two instruments display a better agreement with regression slope for the 880 nm signal between the two at ~ 0.9 compared to a slope at ~ 0.6 during the period of higher absorbing carbon loads (400< EBC<30 ng m
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.
Fe /Fe oxide nanocomposite particles with large specific absorption rate for hyperthermia
NASA Astrophysics Data System (ADS)
Zeng, Q.; Baker, I.; Loudis, J. A.; Liao, Y.; Hoopes, P. J.; Weaver, J. B.
2007-06-01
Using a water-in-oil microemulsion with cetyl trimethyl ammonium bromide as the surfactant, iron was reduced to form a metallic core on which a passivating oxide shell was grown. Transmission electron microscopy, vibrating sample magnetometry, and heating measurements were used to characterize these monodispersed magnetic Fe /Fe3O4 composite nanoparticles with respect to the possible application for magnetic hyperthermia treatments of cancer. The aim is to utilize the fact that an iron core (high saturation magnetization) will give a greater heating effect than iron oxide, while the iron oxide coating will allow the nanoparticles to be observed using magnetic resonance imaging so that therapy can be effectively monitored and targeted. The largest specific absorption rate obtained was 345W/g under an alternating magnetic field of 150Oe at 250kHz.
Specific absorption rate in models of man and monkey at 225 and 2000 MHz
Olsen, R.G.; Griner, T.A.
1987-01-01
Full-size models of a man and a rhesus monkey were exposed to radiofrequency (RF) radiation at 225 MHz. The model of man was also exposed to 2000 MHz. Specific absorption rates (SARs) were measured in partial-body sections, such as the arms, legs, etc., using gradient-layer calorimeters. Also, front-surface thermographic images were obtained to qualitatively show the heating patterns. For all of the configurations used, the SAR in the limbs was much higher than in the torso. Agreement (whole-body SARs) with spheroidal models was better for both models at 225 MHz than at 2000 MHz. These results indicate that in the frequency range two orders of magnitude above whole-body resonance, SAR in the limbs significantly contributes to the whole-body average SAR.
Magnetic Nanoparticles with High Specific Absorption Rate at Low Alternating Magnetic Field
Kekalo, K.; Baker, I.; Meyers, R.; Shyong, J.
2015-01-01
This paper describes the synthesis and properties of a new type of magnetic nanoparticle (MNP) for use in the hyperthermia treatment of tumors. These particles consist of 2–4 nm crystals of gamma-Fe2O3 gathered in 20–40 nm aggregates with a coating of carboxymethyl-dextran, producing a zetasize of 110–120 nm. Despite their very low saturation magnetization (1.5–6.5 emu/g), the specific absorption rate (SAR) of the nanoparticles is 22–200 W/g at applied alternating magnetic field (AMF) with strengths of 100–500 Oe at a frequency of 160 kHz. PMID:26884816
MRI-based anatomical model of the human head for specific absorption rate mapping
Makris, Nikos; Angelone, Leonardo; Tulloch, Seann; Sorg, Scott; Kaiser, Jonathan; Kennedy, David
2009-01-01
In this study, we present a magnetic resonance imaging (MRI)-based, high-resolution, numerical model of the head of a healthy human subject. In order to formulate the model, we performed quantitative volumetric segmentation on the human head, using T1-weighted MRI. The high spatial resolution used (1 × 1 × 1 mm3), allowed for the precise computation and visualization of a higher number of anatomical structures than provided by previous models. Furthermore, the high spatial resolution allowed us to study individual thin anatomical structures of clinical relevance not visible by the standard model currently adopted in computational bioelectromagnetics. When we computed the electromagnetic field and specific absorption rate (SAR) at 7 Tesla MRI using this high-resolution model, we were able to obtain a detailed visualization of such fine anatomical structures as the epidermis/dermis, bone structures, bone-marrow, white matter and nasal and eye structures. PMID:18985401
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.
NASA Astrophysics Data System (ADS)
Coral, D. F.; Mendoza Zélis, P.; de Sousa, M. E.; Muraca, D.; Lassalle, V.; Nicolás, P.; Ferreira, M. L.; Fernández van Raap, M. B.
2014-01-01
In this work, the issue on whether dynamic magnetic properties of polydispersed magnetic colloids modeled using physical magnitudes derived from quasi-static magnetic measurement can be extrapolated to analyze specific absorption rate data acquired at high amplitudes and frequencies of excitation fields is addressed. To this end, we have analyzed two colloids of magnetite nanoparticles coated with oleic acid and chitosan in water displaying, under a radiofrequency field, high and low specific heat power release. Both colloids are alike in terms of liquid carrier, surfactant and magnetic phase composition but differ on the nanoparticle structuring. The colloid displaying low specific dissipation consists of spaced magnetic nanoparticles of mean size around 4.8 nm inside a large chitosan particle of 52.5 nm. The one displaying high specific dissipation consists of clusters of magnetic nanoparticles of mean size around 9.7 nm inside a chitosan particle of 48.6 nm. The experimental evaluation of Néel and Brown relaxation times (˜10-10 s and 10-4 s, respectively) indicate that the nanoparticles in both colloids magnetically relax by Néel mechanism. The isothermal magnetization curves analysis for this mechanism show that the magnetic nanoparticles behave in the interacting superparamagnetic regime. The specific absorption rates were determined calorimetrically at 260 kHz and up to 52 kA/m and were well modeled within linear response theory using the anisotropy density energy retrieved from quasi-static magnetic measurement, validating their use to predict heating ability of a given polydispersed particle suspension. Our findings provide new insight in the validity of quasi-static magnetic characterization to analyze the high frequency behavior of polydispersed colloids within the framework of the linear response and Wohlfarth theories and indicate that dipolar interactions play a key role being their strength larger for the colloid displaying higher dissipation, i
Pelivanov, Ivan M; Barskaya, M I; Podymova, N B; Khokhlova, Tanya D; Karabutov, Aleksander A
2009-09-30
A new method for measuring the local light absorption coefficient in turbid media, for example, biological tissues, is proposed. The method is based on the fact that the amplitude of the excited opto-acoustic (OA) signal is proportional to the absorbed laser power density (the product of the light absorption coefficient and the laser fluence) at the medium interface. In the first part of the paper, the influence of the laser beam diameter, the light absorption and reduced scattering coefficients on the maximal amplitude of the laser fluence at the laser beam axis in the near-surface layer of the turbid medium is studied by using the Monte-Carlo simulation. The conditions are predicted under which the amplitude of the OA signal detected in a transparent medium in contact with the scattering medium should remain proportional to the light absorption coefficient of the medium under study, when the scattering coefficient in it changes more than twice. The results of the numerical simulation are used for the theoretical substantiation of the OA method being proposed. (measurement of parametrs of laser radiation)
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.
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.
NASA Astrophysics Data System (ADS)
Izgorodina, Ekaterina I.; Coote, Michelle L.
2006-05-01
A systematic methodology for calculating accurate propagation rate coefficients in free-radical polymerization was designed and tested for vinyl chloride and acrylonitrile polymerization. For small to medium-sized polymer systems, theoretical reaction barriers are calculated using G3(MP2)-RAD. For larger systems, G3(MP2)-RAD barriers can be approximated (to within 1 kJ mol -1) via an ONIOM-based approach in which the core is studied at G3(MP2)-RAD and the substituent effects are modeled with ROMP2/6-311+G(3df,2p). DFT methods (including BLYP, B3LYP, MPWB195, BB1K and MPWB1K) failed to reproduce the correct trends in the reaction barriers and enthalpies with molecular size, though KMLYP showed some promise as a low cost option for very large systems. Reaction rates are calculated via standard transition state theory in conjunction with the one-dimensional hindered rotor model. The harmonic oscillator approximation was shown to introduce an error of a factor of 2-3, and would be suitable for "order-of-magnitude" estimates. A systematic study of chain length effects indicated that rate coefficients had largely converged to their long chain limit at the dimer radical stage, and the inclusion of the primary substituent of the penultimate unit was sufficient for practical purposes. Solvent effects, as calculated using the COSMO model, were found to be relatively minor. The overall methodology reproduced the available experimental data for both of these monomers within a factor of 2.
Hotop, H; Ruf, M-W; Kopyra, J; Miller, T M; Fabrikant, I I
2011-02-14
Rate coefficients k(T) for dissociative electron attachment (DEA) to molecules in many cases exhibit a more or less strong rise with increasing temperature T (the electron temperature T(e) and the molecular temperature T(G) are assumed to be in thermal equilibrium, i.e., T = T(e) = T(G)). This rise is frequently modeled by the Arrhenius equation k(T) = k(A) exp[-E(a)∕(k(B)T)], and an activation energy E(a) is deduced from fits to the experimental data k(T). This behavior reflects the presence of an energy barrier for the anion on its path to the dissociated products. In a recent paper [J. Kopyra, J. Wnorowska, M. Foryś, and I. Szamrej, Int. J. Mass Spectrom. 268, 60 (2007)] it was suggested that the size of the rate coefficients for DEA reactions at room temperature exhibits an exponential dependence on the activation energy, i.e., k(E(a); T ≈ 300 K) = k(1) exp[-E(a)∕E(0)]. More recent experimental data for molecules with high barriers [T. M. Miller, J. F. Friedman, L. C. Schaffer, and A. A. Viggiano, J. Chem. Phys. 131, 084302 (2009)] are compatible with such a correlation. We investigate the validity and the possible origin of this dependence by analyzing the results of R-matrix calculations for temperature-dependent rate coefficients of exothermic DEA processes with intermediate barrier toward dissociation. These include results for model systems with systematically varied barrier height as well as results of molecule-specific calculations for CH(3)Cl, CH(3)Br, CF(3)Cl, and CH(2)Cl(2) (activation energies above 0.2 eV) involving appropriate molecular parameters. A comparison of the experimental and theoretical results for the considered class of molecules (halogenated alkanes) supports the idea that the exponential dependence of k(T = 300 K) on the activation energy reflects a general phenomenon associated with Franck-Condon factors for getting from the initial neutral vibrational levels to the dissociating final anion state in a direct DEA process
Adibzadeh, Fatemeh; Bakker, Jurriaan F; Paulides, Margarethus M; Verhaart, René F; van Rhoon, Gerard C
2015-01-01
Among various possible health effects of mobile phone radiation, the risk of inducing cancer has the strongest interest of laymen and health organizations. Recently, the Interphone epidemiological study investigated the association between the estimated Radio Frequency (RF) dose from mobile phones and the risk of developing a brain tumor. Their dosimetric analysis included over 100 phone models but only two homogeneous head phantoms. So, the potential impact of individual morphological features on global and local RF absorption in the brain was not investigated. In this study, we performed detailed dosimetric simulations for 20 head models and quantified the variation of RF dose in different brain regions as a function of head morphology. Head models were exposed to RF fields from generic mobile phones at 835 and 1900 MHz in the "tilted" and "cheek" positions. To evaluate the local RF dose variation, we used and compared two different post-processing methods, that is, averaging specific absorption rate (SAR) over Talairach regions and over sixteen predefined 1 cm(3) cube-shaped field-sensors. The results show that the variation in the averaged SAR among the heads can reach up to 16.4 dB at a 1 cm(3) cube inside the brain (field-sensor method) and alternatively up to 15.8 dB in the medulla region (Talairach method). In conclusion, we show head morphology as an important uncertainty source for dosimetric studies of mobile phones. Therefore, any dosimetric analysis dealing with RF dose at a specific region in the brain (e.g., tumor risk analysis) should be based upon real morphology.
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
Chicheportiche, Alexandre; Stachoň, Martin; Benhenni, Malika; Gadéa, Florent Xavier; Kalus, René; Yousfi, Mohammed
2014-10-01
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.
NASA Astrophysics Data System (ADS)
Chicheportiche, Alexandre; StachoÅ, Martin; Benhenni, Malika; Gadéa, Florent Xavier; Kalus, René; Yousfi, Mohammed
2014-10-01
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.
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).
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.
NASA Technical Reports Server (NTRS)
Nelson, David D., Jr.; Schiffman, Aram; Nesbitt, David J.; Orlando, John J.; Burkholder, James B.
1990-01-01
FTIR emission/absorption spectroscopy is used to measure the relative intensities of 88 pairs of rovibrational transitions of OH(X2Pi) distributed over 16 vibrational bands. The experimental technique used to obtain the Einstein A ratios is discussed. The dipole moment function which follows from the intensity ratios along with Einstein A coefficients calculated from mu(r) is presented.
Fairchild, P.W.; Garland, N.L.; Howard, W.E. III; Lee, E.K.C.
1980-10-01
A technique for measuring ''effective'' absorption coefficients is described. It circumvents deviations from Beer's law caused when the excitation source bandwidth is larger than the absorber bandwidth. The technique employs a fluorescence cell placed after an absorption cell to selectively monitor absorption in the center region of the source line. Model calculations relating the fluorescence intensity to source and absorber line shapes indicate that this method should yield linear Beer's law plots for moderate values of k/sub 0/Nl and ..cap alpha.., where ..cap alpha.. is the ratio of the source bandwidth to the absorber bandwidth. This technique has been applied to a number of single rotational levels in the 4/sup 1//sub 0/ transition of the H/sub 2/CO A /sup 1/A/sub 2/reverse arrowX /sup 1/A/sub 1/ system using pulsed, tunable dye laser excitation. The effective absorption coefficients determined experimentally have been compared to the theoretically calculated absorption coefficients.
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. PMID:26479174
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.
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.
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.
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.
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. 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
Assessment of specific energy absorption rate (SAR) in the head from a TETRA handset
NASA Astrophysics Data System (ADS)
Dimbylow, Peter; Khalid, Mohammed; Mann, Simon
2003-12-01
Finite-difference time-domain (FDTD) calculations of the specific energy absorption rate (SAR) from a representative TETRA handset have been performed in an anatomically realistic model of the head. TETRA (Terrestrial Trunked Radio) is a modern digital private mobile radio system designed to meet the requirements of professional users, such as the police and fire brigade. The current frequency allocations in the UK are 380-385 MHz and 390-395 MHz for the public sector network. A comprehensive set of calculations of SAR in the head was performed for positions of the handset in front of the face and at both sides of the head. The representative TETRA handset considered, operating at 1 W in normal use, will show compliance with both the ICNIRP occupational and public exposure restrictions. The handset with a monopole antenna operating at 3 W in normal use will show compliance with both the ICNIRP occupational and public exposure restrictions. The handset with a helical antenna operating at 3 W in normal use will show compliance with the ICNIRP occupational exposure restriction but will be over the public exposure restriction by up to ~50% if kept in the position of maximum SAR for 6 min continuously.
Assessment of specific energy absorption rate (SAR) in the head from a TETRA handset.
Dimbylow, Peter; Khalid, Mohammed; Mann, Simon
2003-12-01
Finite-difference time-domain (FDTD) calculations of the specific energy absorption rate (SAR) from a representative TETRA handset have been performed in an anatomically realistic model of the head. TETRA (Terrestrial Trunked Radio) is a modern digital private mobile radio system designed to meet the requirements of professional users, such as the police and fire brigade. The current frequency allocations in the UK are 380-385 MHz and 390-395 MHz for the public sector network. A comprehensive set of calculations of SAR in the head was performed for positions of the handset in front of the face and at both sides of the head. The representative TETRA handset considered. operating at 1 W in normal use, will show compliance with both the ICNIRP occupational and public exposure restrictions. The handset with a monopole antenna operating at 3 W in normal use will show compliance with both the ICNIRP occupational and public exposure restrictions. The handset with a helical antenna operating at 3 W in normal use will show compliance with the ICNIRP occupational exposure restriction but will be over the public exposure restriction by up to approximately 50% if kept in the position of maximum SAR for 6 min continuously.
Stralka, John P; Bottomley, Paul A
2008-01-01
Purpose To develop a scanner-independent dosimeter for measuring the average radio frequency (RF) power deposition and specific absorption rates (SAR) for human MRI exposure. Materials and Methods A prototype dosimeter has a transducer with orthogonal conducting loops surrounding a small signal-generating MRI sample. The loops contain resistors whose values are adjusted to load the scanner’s MRI coils equivalent to an average head or body during MRI. The scanner adjusts its power output to normal levels during setup, using the MRI sample. Following calibration, the total power and average SAR deposited in the transducer are measured from the root-mean-square (rms) power induced in the transducer during MRI. Results A 1.5 Tesla head transducer was adjusted to elicit the same load as the average of nine adult volunteers. Once adjusted, the transducer loads other head coils the same as the head does. The dosimeter is calibrated at up to 20 W total deposited power and 4.5 W/kg SAR in the average head, with about 5% accuracy. Conclusion This dosimeter provides a simple portable means of measuring the power deposited in a body-equivalent sample load, independent of the scanner. Further work will develop SAR dosimetry for the torso and for higher fields. PMID:17969145
Specific absorption rate in electrically coupled biological samples between metal plates.
Joines, W T; Blackman, C F; Spiegel, R J
1986-01-01
The specific absorption rate (SAR) in a biological sample irradiated by electromagnetic fields between the metal plates of a transmission line can be altered significantly by the spacing of the metal plates and the distance between neighboring samples. The SAR in spherical biological samples is calculated for a number of neighboring sample arrangements and metal-plate spacings by using the method of images and induced dipole coupling. For a decrease in metal-plate spacing, the derived equations predict an increase in SAR within a sample and a decrease in SAR with a decrease in neighboring-sample spacing. The calculations are compared with measurements made with the aid of an array of 1-in radius metal hemispheres on the lower plate of two parallel plates (thus forming an image system). The hemisphere on which measurements are taken is insulated from the metal plate and is connected via a coaxial center conductor to an HP 3582A spectrum analyzer that measures the voltage and hence the electric field intensity at the hemisphere. Measurements made at a frequency where wavelength is large compared with sample size (48 Hz) are in good agreement with calculations. PMID:3741491
NASA Astrophysics Data System (ADS)
Wildeboer, R. R.; Southern, P.; Pankhurst, Q. A.
2014-12-01
In the clinical application of magnetic hyperthermia, the heat generated by magnetic nanoparticles in an alternating magnetic field is used as a cancer treatment. The heating ability of the particles is quantified by the specific absorption rate (SAR), an extrinsic parameter based on the clinical response characteristic of power delivered per unit mass, and by the intrinsic loss parameter (ILP), an intrinsic parameter based on the heating capacity of the material. Even though both the SAR and ILP are widely used as comparative design parameters, they are almost always measured in non-adiabatic systems that make accurate measurements difficult. We present here the results of a systematic review of measurement methods for both SAR and ILP, leading to recommendations for a standardised, simple and reliable method for measurements using non-adiabatic systems. In a representative survey of 50 retrieved datasets taken from published papers, the derived SAR or ILP was found to be more than 5% overestimated in 24% of cases and more than 5% underestimated in 52% of cases.
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.
NASA Astrophysics Data System (ADS)
Al-Hawat, Sharif
2013-02-01
Infrared (IR) absorption in the spectral range of (1071.88-1084.62 cm-1) vs. pressure in chlorodifluoromethane (CFC-22, F-22, and CHClF2) was studied using a tunable continuous wave (CW) CO2 laser radiation on 9R branch lines with a maximum output power of about 2.12 W, provided with an absorber cell located outside the laser cavity. The absorption coefficients were determined vs. the gas pressure between 0.2 mbar and 170 mbar at lines from 9R branch for CFC-22. The frequency shifts of the absorption lines of CFC-22 in relative to the central frequencies of laser lines were calculated vs. the pressure on the basis of these absorption coefficients. The chosen lines were selected according to IR spectrum of the studied gas given by HITRAN cross section database. So the absorption was achieved for CFC-22 at the spectral lines of 9R branch situated from 9R (10) to 9R (30) emitted by a tunable CW CO2 laser. The absorption cross sections of CFC-22 determined in this work were compared with the relevant data given by HITRAN cross section database and a reasonable agreement was observed.
Stramski, Dariusz; Reynolds, Rick A; Kaczmarek, Sławomir; Uitz, Julia; Zheng, Guangming
2015-08-01
Spectrophotometric measurement of particulate matter retained on filters is the most common and practical method for routine determination of the spectral light absorption coefficient of aquatic particles, a_{p}(λ), at high spectral resolution over a broad spectral range. The use of differing geometrical measurement configurations and large variations in the reported correction for pathlength amplification induced by the particle/filter matrix have hindered adoption of an established measurement protocol. We describe results of dedicated laboratory experiments with a diversity of particulate sample types to examine variation in the pathlength amplification factor for three filter measurement geometries; the filter in the transmittance configuration (T), the filter in the transmittance-reflectance configuration (T-R), and the filter placed inside an integrating sphere (IS). Relationships between optical density measured on suspensions (OD_{s}) and filters (OD_{f}) within the visible portion of the spectrum were evaluated for the formulation of pathlength amplification correction, with power functions providing the best functional representation of the relationship for all three geometries. Whereas the largest uncertainties occur in the T method, the IS method provided the least sample-to-sample variability and the smallest uncertainties in the relationship between OD_{s} and OD_{f}. For six different samples measured with 1 nm resolution within the light wavelength range from 400 to 700 nm, a median error of 7.1% is observed for predicted values of OD_{s} using the IS method. The relationships established for the three filter-pad methods are applicable to historical and ongoing measurements; for future work, the use of the IS method is recommended whenever feasible. PMID:26368092
Garland, N.L.; Medhurst, L.J.; Nelson, H.H.
1993-12-20
The authors measured the rate constant for reactions of the OH radical with several potential chlorofluorocarbon replacements over the temperature range 251-314 K using laser photolysis laser-induced fluorescence techniques. The compounds studied and Arrhenius parameters determined from fits to the measured rate constants are as follows: CHF{sub 2}OCHF{sub 2} (E 134), k(T) = (5.4 {+-} 3.5) x 10{sup {minus}13} cm{sup 3} s{sup {minus}1} exp [({minus}3.1 {+-} 0.4 kcal mol{sup {minus}1})/RT]; CF{sub 3}CH{sub 2}CF{sub 3} (FC 236fa), k(T) = (2.0 {+-} 1.0) x 10{sup {minus}14} cm{sup 3} s{sup {minus}1} exp [({minus}1.8 {+-} 0.3 kcal mol{sup {minus}1})/RT]; CF{sub 3}CHFCHF{sub 2} (FC 236ea), k(T) = (2.0 {+-} 0.9) x 10{sup {minus}13} cm{sup 3} s{sup {minus}1} exp [({minus}2.0 {+-} 0.3 kcal mol{sup {minus}1})/RT]; and CF{sub 3}CF{sub 2}CH{sub 2}F (FC 236cb), k(T) = (2.6 {+-} 1.6) x 10{sup {minus}13} cm{sup 3} s{sup {minus}1} exp [({minus}2.2 {+-} 0.4 kcal mol{sup {minus}1})/RT]. The measured activation energies (2-3 kcal mol{sup {minus}1}) are consistent with a mechanism of H atom abstraction. The tropospheric lifetimes, estimated from the measured OH reaction rates, and measured integrated infrared absorption cross sections over the range 770 to 1430 cm{sup {minus}1} suggest that E 134 and FC 236fa may have significant global warming potential, while FC 236ea and FC 236cb do not. 17 refs., 4 figs., 3 tabs.
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.
Jeon, Seongho; Hurley, Katie R; Bischof, John C; Haynes, Christy L; Hogan, Christopher J
2016-09-21
A promising route to cancer treatment is hyperthermia, facilitated by superparamagnetic iron oxide nanoparticles (SPIONs). After exposure to an alternating external magnetic field, SPIONs generate heat, quantified by their specific absorption rate (SAR, in W g(-1) Fe). However, without surface functionalization, commercially available, high SAR SPIONs (EMG 308, Ferrotec, USA) aggregate in aqueous suspensions; this has been shown to reduce SAR. Further reduction in SAR has been observed for SPIONs in suspensions containing cells, but the origin of this further reduction has not been made clear. Here, we use image analysis methods to quantify the structures of SPION aggregates in the extra- and intracellular milieu of LNCaP cell suspensions. We couple image characterization with nanoparticle tracking analysis and SAR measurements of SPION aggregates in cell-free suspensions, to better quantify the influence of cellular uptake on SPION aggregates and ultimately its influence on SAR. We find that in both the intra- and extracellular milieu, SPION aggregates are well-described by a quasifractal model, with most aggregates having fractal dimensions in the 1.6-2.2 range. Intracellular aggregates are found to be significantly larger than extracellular aggregates and are commonly composed of more than 10(3) primary SPION particles (hence they are "superaggregates"). By using high salt concentrations to generate such superaggregates and measuring the SAR of suspensions, we confirm that it is the formation of superaggregates in the intracellular milieu that negatively impacts SAR, reducing it from above 200 W g(-1) Fe for aggregates composed of fewer than 50 primary particles to below 50 W g(-1) for superaggregates. While the underlying physical mechanism by which aggregation leads to reduction in SAR remains to be determined, the methods developed in this study provide insight into how cellular uptake influences the extent of SPION aggregation, and enable estimation of the
NASA Astrophysics Data System (ADS)
Peirone, Silvina A.; Barrera, Javier A.; Taccone, Raúl A.; Cometto, Pablo M.; Lane, Silvia I.
2014-03-01
The relative rate technique was used to determine the rate coefficients of the reactions of OH radicals with (Z)-2-hexen-1-ol (k1), and (E)-3-hexen-1-ol (k2), at (296 ± 2) K and (750 ± 10) Torr of N2 or pure air. The reactions were investigated using a 200 L Teflon reaction chamber and a gas chromatograph coupled with flame-ionization detection. The following rate coefficients were derived, in units of cm3 mol-1 s-1: k1 = (1.1 ± 0.4) × 10-10 and k2 = (0.8 ± 0.1) × 10-10. This is the first experimental determination of k1 and k2. A comparison between the experimental rate coefficients (kexp) and the calculated rate coefficients using the structure-activity relationship (SAR) method (kSAR), for the reaction of different unsaturated alcohols with OH radicals is presented. The atmospheric lifetimes of the studied alcohols were estimated considering the rate coefficients of their reactions with OH and NO3 radicals. The radiative efficiencies (REs) were obtained from the infrared spectra of the two hexenols and the global warming potentials (GWPs) were then estimated. Atmospheric implications of the alcohols emission are briefly discussed.
Karwat, Darshan M A; Wooldridge, Margaret S; Klippenstein, Stephen J; Davis, Michael J
2015-01-29
Experimental, time-resolved species profiles provide critical tests in developing accurate combustion models for biofuels such as n-butanol. A number of such species profiles measured by Karwat et al. [ Karwat, D. M. A.; et al. J. Phys. Chem. A 2011 , 115 , 4909 ] were discordant with predictions from a well-tested chemical kinetic mechanism developed by Black et al. [ Black, G.; et al. Combust. Flame 2010 , 157 , 363 ]. Since then, significant theoretical and experimental efforts have focused on determining the rate coefficients of primary n-butanol consumption pathways in combustion environments, including H atom abstraction reactions from n-butanol by key radicals such as HO2 and OH, as well as the decomposition of the radicals formed by these H atom abstractions. These reactions not only determine the overall reactivity of n-butanol, but also significantly affect the concentrations of intermediate species formed during n-butanol ignition. In this paper we explore the effect of incorporating new ab initio predictions into the Black et al. mechanism on predictions of ignition delay time and species time histories for the experimental conditions studied by Karwat et al. The revised predictions for the intermediate species time histories are in much improved agreement with the measurements, but some discrepancies persist. A rate of production analysis comparing the effects of various modifications to the Black et al. mechanism shows significant changes in the predicted consumption pathways of n-butanol, and of the hydroxybutyl and butoxy radicals formed by H atom abstraction from n-butanol. The predictions from the newly revised mechanism are in very good agreement with the low-pressure n-butanol pyrolysis product species measurements of Stranic et al. [ Stranic, I.; et al. Combust. Flame 2012 , 159 , 3242 ] for all but one species. Importantly, the changes to the Black et al. mechanism show that concentrations of small products from n-butanol pyrolysis are
NASA Astrophysics Data System (ADS)
Aubaud, C.; Bureau, H.; Raepsaet, C.; Khodja, H.; Hirschmann, M. M.; Withers, A. C.; Bell, D. R.
2007-12-01
Fourier transform infrared (FTIR) spectroscopy is the most widely applied technique for measuring hydrogen in nominally anhydrous minerals (NAMs) and silicate glasses. FTIR is rapid, sensitive, widely available and gives information on the bonding environment of H-bearing species. H determination relies on the Beer-Lambert law and therefore requires constraints on the applicable molar absorption coefficient, ɛ. Values of ɛ may be derived only from independent absolute methods. These ɛ are now reasonably well known for glasses, but to date determinations of ɛ applicable to NAMs are extremely limited and subject to uncertainties. Most notably, the Paterson (1982) calibration gives H contents in olivine that are a factor of 2.5- 3.5 lower than those suggested by the Bell et al. JGR 2003 calibration. We performed elastic recoil detection analysis (ERDA) on a range of samples that had been previously analyzed by FTIR, including natural rhyolitic glasses (1430-1772 ppm H2O), natural and synthetic olivine (0-910 ppm), natural orthopyroxene (38-147 ppm), and natural clinopyroxene crystals (0-490 ppm). ERDA is a nuclear microprobe technique that yields matrix-independent absolute determinations of H concentration. A 3 MeV beam of 4He is employed at high spatial resolution (50 × 200 microns). The detection limit, determined from analysis of dry minerals is 150±20 ppm H2O, too great for analysis of many NAMs from the upper mantle, but applicable to H-rich natural and synthetic NAMs. For glasses, synthetic olivines, and clinopyroxenes, we found good proportionality between the measured ERDA hydrogen concentration and the linear (rhyolite) or integrated (minerals) absorbance measured by FTIR. The ɛ found for rhyolite (103±9 l/mol per cm) is close to that of 88±2 l/mol per cm given by Dobson et al. (GCA, 1989). For clinopyroxene, we obtain ɛ 47010±6070 l/mol per cm2, slightly larger than 38300±1700 l/mol per cm2 found by Bell et al. (Am. Min. 1995). Finally, for
NASA Astrophysics Data System (ADS)
Pfrang, Christian; King, Martin D.; Canosa-Mas, Carlos E.; Flugge, Mark; Wayne, Richard P.
Gas-phase rate coefficients for the atmospherically important reactions of NO 3, OH and O 3 are predicted for 55 α, β-unsaturated esters and ketones. The rate coefficients were calculated using a correlation described previously [Pfrang, C., King, M.D., C. E. Canosa-Mas, C.E., Wayne, R.P., 2006. Atmospheric Environment 40, 1170-1179]. These rate coefficients were used to extend structure-activity relations for predicting the rate coefficients for the reactions of NO 3, OH or O 3 with alkenes to include α, β-unsaturated esters and ketones. Conjugation of an alkene with an α, β-keto or α, β-ester group will reduce the value of a rate coefficient by a factor of ˜110, ˜2.5 and ˜12 for reaction with NO 3, OH or O 3, respectively. The actual identity of the alkyl group, R, in -C(O)R or -C(O)OR has only a small influence. An assessment of the reliability of the SAR is given that demonstrates that it is useful for reactions involving NO 3 and OH, but less valuable for those of O 3 or peroxy nitrate esters.
Smith, Laurence H.; McCarty, Perry L.; Kitanidis, Peter K.
1998-01-01
A convenient method for evaluation of biochemical reaction rate coefficients and their uncertainties is described. The motivation for developing this method was the complexity of existing statistical methods for analysis of biochemical rate equations, as well as the shortcomings of linear approaches, such as Lineweaver-Burk plots. The nonlinear least-squares method provides accurate estimates of the rate coefficients and their uncertainties from experimental data. Linearized methods that involve inversion of data are unreliable since several important assumptions of linear regression are violated. Furthermore, when linearized methods are used, there is no basis for calculation of the uncertainties in the rate coefficients. Uncertainty estimates are crucial to studies involving comparisons of rates for different organisms or environmental conditions. The spreadsheet method uses weighted least-squares analysis to determine the best-fit values of the rate coefficients for the integrated Monod equation. Although the integrated Monod equation is an implicit expression of substrate concentration, weighted least-squares analysis can be employed to calculate approximate differences in substrate concentration between model predictions and data. An iterative search routine in a spreadsheet program is utilized to search for the best-fit values of the coefficients by minimizing the sum of squared weighted errors. The uncertainties in the best-fit values of the rate coefficients are calculated by an approximate method that can also be implemented in a spreadsheet. The uncertainty method can be used to calculate single-parameter (coefficient) confidence intervals, degrees of correlation between parameters, and joint confidence regions for two or more parameters. Example sets of calculations are presented for acetate utilization by a methanogenic mixed culture and trichloroethylene cometabolism by a methane-oxidizing mixed culture. An additional advantage of application of this
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.
Rate coefficient for the reaction SiO + Si2O2 at T = 10-1000 K.
Pimentel, André S; Lima, Francisco das C A; da Silva, Albérico B F
2006-12-14
The reaction paths for the formation of Si3O3 molecules have been investigated at high level ab initio quantum chemical calculations by using the QCISD method with the 6-311++G(d,p) basis set. The cis-Si2O2 isomer does not participate in the chemical mechanism for the formation of Si3O3 molecules. Although the SiO + cis-Si2O2 reaction is exothermic and spontaneous, it is not expected to explain the growth mechanism of Si3O3 in the interstellar silicate grains of circumstellar envelopes surrounding M-type giants. The reaction of SiO with cyclic Si2O2 molecules is exothermic, is spontaneous, and has a nonplanar transition state. The Gibbs free energy for the transition state formation, (DeltaG0#), is around 5.5 kcal mol-1 at 298 K. The bimolecular rate coefficient for this reaction, kT, is about 1 x 10-12 cm3 molecule-1 s-1 at 298 K and in the collision limit, 1.5 x 10-10 cm3 molecule-1 s-1, at 500 K. The activation energy, Ea, is about 8 kcal mol-1. The enthalpy of Si3O3 fragmentation is 53.9 kcal mol-1 at 298 K. The SiO + cyclic Si2O2 reaction is expected to be the most prominent reaction path for the Si3O3 formation in interstellar environment and fabrication of silicon nanowires. PMID:17149837
Dong Hongjie Krylov, Nicolai V.
2007-06-15
We consider degenerate parabolic and elliptic fully nonlinear Bellman equations with Lipschitz coefficients in domains. Error bounds of order h{sup 1/2} in the sup norm for certain types of finite-difference schemes are obtained.
Fakhri, Yadolah; Alinejad, Azim; Keramati, Hassan; Bay, Abotaleb; Avazpour, Moayed; Zandsalimi, Yahya; Moradi, Bigard; Amirhajeloo, Leila Rasouli; Mirzaei, Maryam
2016-01-01
The use of smart phones is increasing in the world. This excessive use, especially in the last two decades, has created too much concern on the effects of emitted electromagnetic fields and specific absorption rate on human health. In this descriptive-analytical study of the electric field resulting from smart phones of Samsung and Nokia by portable measuring device, electromagnetic field, Model HI-3603-VDT/VLF, were measured. Then, head absorption rate was calculated in these two mobiles by ICNIRP equation. Finally, the comparison of specific absorption rate, especially between Samsung and Nokia smart phones, was conducted by T-Test statistics analysis. The mean of electric field for Samsung and Nokia smart mobile phones was obtained 1.8 ±0.19 v/m and 2.23±0.39 v/m, respectively, while the range of the electric field was obtained as 1.56-2.21 v/m and 1.69-2.89 v/m for them, respectively. The mean of specific absorption rate in Samsung and Nokia was obtained 0.002 ± 0.0005 W/Kg and 0.0041±0.0013 W/Kg at the frequency of 900 MHz and 0.004±0.001 W/Kg and 0.0062±0.0002 W/Kg at the frequency of 1800 MHz respectively. The ratio of mean electronic field to guidance in the Samsung mobile phone at the frequency of 900 MHz and 1800 MHz was 4.36% and 3.34%, while was 5.62% and 4.31% in the Nokia mobile phone, respectively. The ratio of mean head specific absorption rate in smart mobile phones of Samsung and Nokia in the guidance level at the frequency of 900 was 0.15% and 0.25%, respectively, while was 0.23% and 0.38% at the frequency of 1800 MHz, respectively. The rate of specific absorption of Nokia smart mobile phones at the frequencies of 900 and 1800 MHz was significantly higher than Samsung (p value <0.05). Hence, we can say that in a fixed period, health risks of Nokia smart phones is higher than Samsung smart mobile phone.
Fakhri, Yadolah; Alinejad, Azim; Keramati, Hassan; Bay, Abotaleb; Avazpour, Moayed; Zandsalimi, Yahya; Moradi, Bigard; Rasouli Amirhajeloo, Leila; Mirzaei, Maryam
2016-01-01
The use of smart phones is increasing in the world. This excessive use, especially in the last two decades, has created too much concern on the effects of emitted electromagnetic fields and specific absorption rate on human health. In this descriptive-analytical study of the electric field resulting from smart phones of Samsung and Nokia by portable measuring device, electromagnetic field, Model HI-3603-VDT/VLF, were measured. Then, head absorption rate was calculated in these two mobiles by ICNIRP equation. Finally, the comparison of specific absorption rate, especially between Samsung and Nokia smart phones, was conducted by T-Test statistics analysis. The mean of electric field for Samsung and Nokia smart mobile phones was obtained 1.8 ±0.19 v/m and 2.23±0.39 v/m , respectively, while the range of the electric field was obtained as 1.56-2.21 v/m and 1.69-2.89 v/m for them, respectively. The mean of specific absorption rate in Samsung and Nokia was obtained 0.002 ± 0.0005 W/Kg and 0.0041±0.0013 W/Kg at the frequency of 900 MHz and 0.004±0.001 W/Kg and 0.0062±0.0002 W/Kg at the frequency of 1800 MHz respectively. The ratio of mean electronic field to guidance in the Samsung mobile phone at the frequency of 900 MHz and 1800 MHz was 4.36% and 3.34%, while was 5.62% and 4.31% in the Nokia mobile phone, respectively. The ratio of mean head specific absorption rate in smart mobile phones of Samsung and Nokia in the guidance level at the frequency of 900 was 0.15% and 0.25%, respectively, while was 0.23 %and 0.38% at the frequency of 1800 MHz, respectively. The rate of specific absorption of Nokia smart mobile phones at the frequencies of 900 and 1800 MHz was significantly higher than Samsung (p value <0.05). Hence, we can say that in a fixed period, health risks of Nokia smart phones is higher than Samsung smart mobile phone.
Fakhri, Yadolah; Alinejad, Azim; Keramati, Hassan; Bay, Abotaleb; Avazpour, Moayed; Zandsalimi, Yahya; Moradi, Bigard; Rasouli Amirhajeloo, Leila; Mirzaei, Maryam
2016-01-01
The use of smart phones is increasing in the world. This excessive use, especially in the last two decades, has created too much concern on the effects of emitted electromagnetic fields and specific absorption rate on human health. In this descriptive-analytical study of the electric field resulting from smart phones of Samsung and Nokia by portable measuring device, electromagnetic field, Model HI-3603-VDT/VLF, were measured. Then, head absorption rate was calculated in these two mobiles by ICNIRP equation. Finally, the comparison of specific absorption rate, especially between Samsung and Nokia smart phones, was conducted by T-Test statistics analysis. The mean of electric field for Samsung and Nokia smart mobile phones was obtained 1.8 ±0.19 v/m and 2.23±0.39 v/m , respectively, while the range of the electric field was obtained as 1.56-2.21 v/m and 1.69-2.89 v/m for them, respectively. The mean of specific absorption rate in Samsung and Nokia was obtained 0.002 ± 0.0005 W/Kg and 0.0041±0.0013 W/Kg at the frequency of 900 MHz and 0.004±0.001 W/Kg and 0.0062±0.0002 W/Kg at the frequency of 1800 MHz respectively. The ratio of mean electronic field to guidance in the Samsung mobile phone at the frequency of 900 MHz and 1800 MHz was 4.36% and 3.34%, while was 5.62% and 4.31% in the Nokia mobile phone, respectively. The ratio of mean head specific absorption rate in smart mobile phones of Samsung and Nokia in the guidance level at the frequency of 900 was 0.15% and 0.25%, respectively, while was 0.23 %and 0.38% at the frequency of 1800 MHz, respectively. The rate of specific absorption of Nokia smart mobile phones at the frequencies of 900 and 1800 MHz was significantly higher than Samsung (p value <0.05). Hence, we can say that in a fixed period, health risks of Nokia smart phones is higher than Samsung smart mobile phone. PMID:27157169
Mathias, Paul M; Zheng, Feng; Heldebrant, David J; Zwoster, Andy; Whyatt, Greg; Freeman, Charles M; Bearden, Mark D; Koech, Phillip
2015-11-01
The kinetics of the absorption of CO2 into two nonaqueous CO2-binding organic liquid (CO2 BOL) solvents were measured at T=35, 45, and 55 °C with a wetted-wall column. Selected CO2 loadings were run with a so-called "first-generation" CO2 BOL, comprising an independent base and alcohol, and a "second-generation" CO2 BOL, in which the base and alcohol were conjoined. Liquid-film mass-transfer coefficient (k'g ) values for both solvents were measured to be comparable to values for monoethanolamine and piperazine aqueous solvents under a comparable driving force, in spite of far higher solution viscosities. An inverse temperature dependence of the k'g value was also observed, which suggests that the physical solubility of CO2 in organic liquids may be making CO2 mass transfer faster than expected. Aspen Plus software was used to model the kinetic data and compare the CO2 absorption behavior of nonaqueous solvents with that of aqueous solvent platforms. This work continues our development of the CO2 BOL solvents. Previous work established the thermodynamic properties related to CO2 capture. The present paper quantitatively studies the kinetics of CO2 capture and develops a rate-based model.
Mathias, Paul M; Zheng, Feng; Heldebrant, David J; Zwoster, Andy; Whyatt, Greg; Freeman, Charles M; Bearden, Mark D; Koech, Phillip
2015-11-01
The kinetics of the absorption of CO2 into two nonaqueous CO2-binding organic liquid (CO2 BOL) solvents were measured at T=35, 45, and 55 °C with a wetted-wall column. Selected CO2 loadings were run with a so-called "first-generation" CO2 BOL, comprising an independent base and alcohol, and a "second-generation" CO2 BOL, in which the base and alcohol were conjoined. Liquid-film mass-transfer coefficient (k'g ) values for both solvents were measured to be comparable to values for monoethanolamine and piperazine aqueous solvents under a comparable driving force, in spite of far higher solution viscosities. An inverse temperature dependence of the k'g value was also observed, which suggests that the physical solubility of CO2 in organic liquids may be making CO2 mass transfer faster than expected. Aspen Plus software was used to model the kinetic data and compare the CO2 absorption behavior of nonaqueous solvents with that of aqueous solvent platforms. This work continues our development of the CO2 BOL solvents. Previous work established the thermodynamic properties related to CO2 capture. The present paper quantitatively studies the kinetics of CO2 capture and develops a rate-based model. PMID:26377774
Heating from free-free absorption and the mass-loss rate of the progenitor stars to supernovae
Björnsson, C.-I.; Lundqvist, P. E-mail: peter@astro.su.se
2014-06-01
An accurate determination of the mass-loss rate of the progenitor stars to core-collapse supernovae is often limited by uncertainties pertaining to various model assumptions. It is shown that under conditions when the temperature of the circumstellar medium is set by heating due to free-free absorption, observations of the accompanying free-free optical depth allow a direct determination of the mass-loss rate from observed quantities in a rather model-independent way. The temperature is determined self-consistently, which results in a characteristic time dependence of the free-free optical depth. This can be used to distinguish free-free heating from other heating mechanisms. Since the importance of free-free heating is quite model dependent, this also makes possible several consistency checks of the deduced mass-loss rate. It is argued that the free-free absorption observed in SN 1993J is consistent with heating from free-free absorption. The deduced mass-loss rate of the progenitor star is, approximately, 10{sup –5} M {sub ☉} yr{sup –1} for a wind velocity of 10 km s{sup –1}.
Wood, G O; Lodewyckx, P
2003-01-01
Organic vapor adsorption rates in air-purifying respirator cartridges (and other packed beds of activated carbon granules) need to be known for estimating service lives. The correlation of Lodewyckx and Vansant [AIHAJ 61:501-505 (2000)] for mass transfer coefficients for organic vapor adsorption onto activated carbon was tested with additional data from three sources. It was then extended to better describe all the data, including that for gases. The additional parameter that accomplished this was the square root of molar equilibrium capacity of the vapor or gas on the carbon. This change, along with skew corrections when appropriate, resulted in better correlations with all experimental rate coefficients. PMID:14521430
Papadimitriou, Vassileios C; Karafas, Emmanuel S; Gierczak, Tomasz; Burkholder, James B
2015-07-16
The gas-phase CH3CO + O2 reaction is known to proceed via a chemical activation mechanism leading to the formation of OH and CH3C(O)OO radicals via bimolecular and termolecular reactive channels, respectively. In this work, rate coefficients, k, for the CH3CO + O2 reaction were measured over a range of temperature (241-373 K) and pressure (0.009-600 Torr) with He and N2 as the bath gas and used to characterize the bi- and ter-molecular reaction channels. Three independent experimental methods (pulsed laser photolysis-laser-induced fluorescence (PLP-LIF), pulsed laser photolysis-cavity ring-down spectroscopy (PLP-CRDS), and a very low-pressure reactor (VLPR)) were used to characterize k(T,M). PLP-LIF was the primary method used to measure k(T,M) in the high-pressure regime under pseudo-first-order conditions. CH3CO was produced by PLP, and LIF was used to monitor the OH radical bimolecular channel reaction product. CRDS, a complementary high-pressure method, measured k(295 K,M) over the pressure range 25-600 Torr (He) by monitoring the temporal CH3CO radical absorption following its production via PLP in the presence of excess O2. The VLPR technique was used in a relative rate mode to measure k(296 K,M) in the low-pressure regime (9-32 mTorr) with CH3CO + Cl2 used as the reference reaction. A kinetic mechanism analysis of the combined kinetic data set yielded a zero pressure limit rate coefficient, kint(T), of (6.4 ± 4) × 10(-14) exp((820 ± 150)/T) cm(3) molecule(-1) s(-1) (with kint(296 K) measured to be (9.94 ± 1.3) × 10(-13) cm(3) molecule(-1) s(-1)), k0(T) = (7.39 ± 0.3) × 10(-30) (T/300)(-2.2±0.3) cm(6) molecule(-2) s(-1), and k∞(T) = (4.88 ± 0.05) × 10(-12) (T/300)(-0.85±0.07) cm(3) molecule(-1) s(-1) with Fc = 0.8 and M = N2. A He/N2 collision efficiency ratio of 0.60 ± 0.05 was determined. The phenomenological kinetic results were used to define the pressure and temperature dependence of the OH radical yield in the CH3CO + O2 reaction. The
NASA Technical Reports Server (NTRS)
Gao, R. S.; Hall, S. R.; Swartz, W. H.; Spackman, J. R.; Watts, L. A.; Fahey, D. W.; Aikin, K. C.; Shetter, R. E.; Bui, T. P.
2008-01-01
Results for the solar heating rates in ambient air due to absorption by black-carbon (BC) containing particles and ozone are presented as calculated from airborne observations made in the tropical tropopause layer (TTL) in January-February 2006. The method uses airborne in situ observations of BC particles, ozone and actinic flux. Total BC mass is obtained along the flight track by summing the masses of individually detected BC particles in the range 90 to 600-nm volume-equivalent diameter, which includes most of the BC mass. Ozone mixing ratios and upwelling and partial downwelling solar actinic fluxes were measured concurrently with BC mass. Two estimates used for the BC wavelength-dependent absorption cross section yielded similar heating rates. For mean altitudes of 16.5, 17.5, and 18.5 km (0.5 km) in the tropics, average BC heating rates were near 0.0002 K/d. Observed BC coatings on individual particles approximately double derived BC heating rates. Ozone heating rates exceeded BC heating rates by approximately a factor of 100 on average and at least a factor of 4, suggesting that BC heating rates in this region are negligible in comparison.
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.
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. PMID:27482844
NASA Astrophysics Data System (ADS)
Quack, M.; Humbert, P.; van den Bergh, H.
1980-07-01
The influence of the three parameters (with two degrees of freedom) fluence, intensity, and time on rate coefficients and product yields in collisionless Unimolecular Reactions Induced by Monochromatic Infrared Radiation (URIMIR) is discussed in some detail in terms of the recently proposed logarithmic reactant fluence plots. Model calculations for several archetypes of such plots are presented, based on solutions of the Pauli master equation and solutions of the quantum mechanical equations of motion for spectra involving many states at each level of excitation. Linear diagrams, turnups, and turnovers are found and are discussed systematically. Experimental examples re-evaluated from the literature and new measurements on the laser induced decomposition of CF2HCl are reported which nicely illustrate the various theoretical possibilities. Steady state rate coefficients for six molecules are evaluated and summarized. In some situations the intrinsic nonlinear intensity dependence of the steady state rate coefficients and deviations from simple fluence dependence of the product yields both before and at steady state are shown to be important theoretically and experimentally. The role of the reducibility of the rate coefficient matrix is discussed in connection with turnovers and with the strong influence of initial temperature that is found in the laser induced decomposition of CF2HCl.
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.
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. PMID:26624613
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,…
NASA Astrophysics Data System (ADS)
Pawlak, M.; Maliński, M.; Firszt, F.; Pelzl, J.; Ludwig, A.; Marasek, A.
2014-03-01
In this work we demonstrate the ability to measure the effective infrared absorption coefficient in semiconductors by a photothermal infrared radiometry (PTR) experiment, and its correlation with the Hall carrier concentration. The amplitude and phase of the PTR signal were measured for Cd1-xMgxSe mixed crystals, with the magnesium content varying from x = 0 to x = 0.15. The PTR experiments were performed at room temperature in thermal reflection and transmission configurations using a mercury cadmium telluride infrared detector. The PTR data were analyzed in the frame of the one-dimensional heat transport model for infrared semi-transparent crystals. Based on the variation of the normalized PTR phase and amplitude on the modulation frequency, the thermal diffusivity and the effective infrared absorption coefficient were obtained by fitting the theoretical expression to experimental data and compared with the Hall carrier concentration determined by supplementary Hall experiments. A linear relationship between the effective infrared absorption coefficient and the Hall carrier concentration was found which is explained in the frame of the Drude theory. The uncertainty of the measured slope was 6%. The value of the slope depends on (1) the sample IR absorption spectrum and (2) the spectral range of the infrared detector. It has to be pointed out that this method is suitable for use in an industrial environment for a fast and contactless carrier concentration measurement. This method can be used for the characterization of other semiconductors after a calibration procedure is carried out. In addition, the PTR technique yields information on the thermal properties in the same experiment.
Werfelli, Ghofran; Halvick, Philippe; Honvault, Pascal; Kerkeni, Boutheïna; Stoecklin, Thierry
2015-09-21
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.
NASA Astrophysics Data System (ADS)
Zhu, Xi-Ming; Cheng, Zhi-Wen; Carbone, Emile; Pu, Yi-Kang; Czarnetzki, Uwe
2016-08-01
Electron-impact excitation processes play an important role in low-temperature plasma physics. Cross section and rate coefficient data for electron-impact processes from the ground state to excited states or between two excited states are required for both diagnostics and modeling works. However, the collisional processes between excited states are much less investigated than the ones involving the ground state due to various experimental challenges. Recently, a method for determining electron excitation rate coefficients between Ar excited states in afterglow plasmas was successfully implemented and further developed to obtain large sets of collisional data. This method combines diagnostics for electron temperature, electron density, and excited species densities and kinetic modeling of excited species, from which the electron excitation rate coefficients from one of the 1s states to the other 1s states or to one of 2p or 3p states are determined (states are in Paschen’s notation). This paper reviews the above method—namely the combined diagnostics and modeling in afterglow plasmas. The results from other important approaches, including electron-beam measurement of cross sections, laser pump-probe technique for measuring rate coefficients, and theoretical calculations by R-matrix and distorted-wave models are also discussed. From a comparative study of these results, a fitted mathematical expression of excitation rate coefficients is obtained for the electron temperature range of 1-5 eV, which can be used for the collisional-radiative modeling of low-temperature Ar plasmas. At last, we report the limitations in the present dataset and give some suggestions for future work in this area.
NASA Astrophysics Data System (ADS)
Zhu, Xi-Ming; Cheng, Zhi-Wen; Carbone, Emile; Pu, Yi-Kang; Czarnetzki, Uwe
2016-08-01
Electron-impact excitation processes play an important role in low-temperature plasma physics. Cross section and rate coefficient data for electron-impact processes from the ground state to excited states or between two excited states are required for both diagnostics and modeling works. However, the collisional processes between excited states are much less investigated than the ones involving the ground state due to various experimental challenges. Recently, a method for determining electron excitation rate coefficients between Ar excited states in afterglow plasmas was successfully implemented and further developed to obtain large sets of collisional data. This method combines diagnostics for electron temperature, electron density, and excited species densities and kinetic modeling of excited species, from which the electron excitation rate coefficients from one of the 1s states to the other 1s states or to one of 2p or 3p states are determined (states are in Paschen’s notation). This paper reviews the above method—namely the combined diagnostics and modeling in afterglow plasmas. The results from other important approaches, including electron-beam measurement of cross sections, laser pump-probe technique for measuring rate coefficients, and theoretical calculations by R-matrix and distorted-wave models are also discussed. From a comparative study of these results, a fitted mathematical expression of excitation rate coefficients is obtained for the electron temperature range of 1–5 eV, which can be used for the collisional-radiative modeling of low-temperature Ar plasmas. At last, we report the limitations in the present dataset and give some suggestions for future work in this area.
NASA Astrophysics Data System (ADS)
Best, R.; Biermann, W.; Reimann, R. C.
1985-01-01
The returned fifteen ton Solar Absorption Machine (SAM) 015 chiller was given a cursory visual inspection, some obvious problems were remedied, and then it was placed on a test stand to get a measure of dirty performance. It was then given a standard acid clean, the water side of the tubes was brushed clean, and then the machine was retested. The before and after cleaning data were compared to equivalent data taken before the machine was shipped. The second part of the work statement was to experimentally demonstrate the technical feasibility of operating the chiller at evaporator temperatures below 0(0)C (32(0)F) and identify any operational problems.
Sutherland, Donna L; Montemezzani, Valerio; Howard-Williams, Clive; Turnbull, Matthew H; Broady, Paul A; Craggs, Rupert J
2015-03-01
The combined use of high rate algal ponds (HRAPs) for wastewater treatment and commercial algal production is considered to be an economically viable option. However, microalgal photosynthesis and biomass productivity is constrained in HRAPs due to light limitation. This paper investigates how the light climate in the HRAP can be modified through changes in pond depth, hydraulic retention time (HRT) and light/dark turnover rate and how this impacts light absorption and utilisation by the microalgae. Wastewater treatment HRAPs were operated at three different pond depth and HRT during autumn. Light absorption by the microalgae was most affected by HRT, significantly decreasing with increasing HRT, due to increased internal self-shading. Photosynthetic performance (as defined by Pmax, Ek and α), significantly increased with increasing pond depth and decreasing HRT. Despite this, increasing pond depth and/or HRT, resulted in decreased pond light climate and overall integrated water column net oxygen production. However, increased light/dark turnover was able to compensate for this decrease, bringing the net oxygen production in line with shallower ponds operated at shorter HRT. On overcast days, modelled daily net photosynthesis significantly increased with increased light/dark turnover, however, on clear days such increased turnover did not enhance photosynthesis. This study has showed that light absorption and photosynthetic performance of wastewater microalgae can be modified through changes to pond depth, HRT and light/dark turnover.
Kir'yanov, Alexander V; Barmenkov, Yuri O; Martinez, Itzel L; Kurkov, Audrey S; Dianov, Evgenii M
2006-05-01
An experimental and theoretical investigation of the nonlinear transmission coefficient in a set of Ytterbium-doped silica fibers (YFs) with various concentrations of Yb(3+) ions at continuous-wave 980-nm pumping is reported. An analysis of the obtained experimental data shows that YF transmission coefficient is notably affected by the presence of Yb(3+) - Yb(3+) ion-pairs in the fibers, especially in heavily-doped ones. The last fact is confirmed by the study of the cooperative luminescence and absorption effects in the fibers, where a detailed inspection of their dependence on Yb3+ concentration is presented. The pairs' effect is shown to seriously modify both the nonlinear character of YF transmission coefficient at lambda = 980 nm and Yb(3+) excited-state relaxation. A modeling of the experimental data is performed, which allows to find the coefficients addressing the pairs' effect in each of YFs under study and, as a result, to fit the experimentally measured dependences of YF transmission coefficient on pump power, fiber length, and Yb(3+) concentration. PMID:19516545
NASA Astrophysics Data System (ADS)
Kir'yanov, Alexander V.; Barmenkov, Yuri O.; Martinez, Itzel L.; Kurkov, Audrey S.; Dianov, Evgenii M.
2006-05-01
An experimental and theoretical investigation of the nonlinear transmission coefficient in a set of Ytterbium-doped silica fibers (YFs) with various concentrations of Yb3+ ions at continuous-wave 980-nm pumping is reported. An analysis of the obtained experimental data shows that YF transmission coefficient is notably affected by the presence of Yb3+ - Yb3+ ion-pairs in the fibers, especially in heavily-doped ones. The last fact is confirmed by the study of the cooperative luminescence and absorption effects in the fibers, where a detailed inspection of their dependence on Yb3+ concentration is presented. The pairs’ effect is shown to seriously modify both the nonlinear character of YF transmission coefficient at λ = 980 nm and Yb3+ excited-state relaxation. A modeling of the experimental data is performed, which allows to find the coefficients addressing the pairs’ effect in each of YFs under study and, as a result, to fit the experimentally measured dependences of YF transmission coefficient on pump power, fiber length, and Yb3+ concentration.
NASA Technical Reports Server (NTRS)
Shimazaki, T.; Helmle, L. C.
1979-01-01
Calculations of the atmospheric heating rate by absorption of solar radiation by O3, H2O, and CO2 are reported. The method needs only seven parameters for each molecule and is particularly useful for heating calculations in three-dimensional global circulation models below 80 km. Applying the formula to the observed distributions of O3, H2O, and CO2 produces reasonable latitudinal and seasonal variations in the heating rate. The calculated heating rate, however, is sensitive to the global distributions of the absorbing gases, and uncertainties in the O3 distribution above approximately 50 km and the H2O distribution below approximately 20 km may seriously affect the global distributions of the heating rate in these regions.
NASA Technical Reports Server (NTRS)
Batterson, Sidney A.
1959-01-01
An experimental investigation was made at the Langley landing loads track to obtain data on the maximum spin-up coefficients of friction developed by a landing gear having a static-load rating of 20,000 pounds. The forward speeds ranged from 0 to approximately 180 feet per second and the sinking speeds, from 2.7 feet per second to 9.4 feet per second. The results indicated the variation of the maximum spin-up coefficient of friction with forward speed and vertical load. Data obtained during this investigation are also compared with some results previously obtained for nonrolling tires to show the effect of forward speed.
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
NASA Astrophysics Data System (ADS)
Liu, K.; Zitzenbacher, G.; Laengauer, M.; Kneidinger, C.
2014-05-01
The influence of the pellet shape on the external coefficient of friction of polypropylene and on the mass flow rate of a single screw extruder is presented in this conference paper. The external coefficient of friction describes the friction between the polymeric bulk material and the screw or the barrel surface. In general, the external coefficient of friction should be rather low at the screw surface and high at the barrel surface in order to achieve a high mass flow rate and sufficient pressure build-up in the conveying zone of a single screw extruder. The measurements of the external coefficient of friction of polypropylene pellets, which are dependent on the shape and the dimensions of the pellets at processing conditions (pressure and velocity), are carried out using a previously developed tribometer. The tests were performed at room temperature on a polished hardened shaft made of screw steel. The effect of the shape of the polypropylene pellets on the mass flow rate is studied using a single screw extruder (Measuring extruder type Dr. Collin E20M). Two different temperature profiles were used for the extrusion experiments. When using the long cylindrical polypropylene pellets a higher extruder output can be achieved compared to the virgin material.
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.
Li, Yongle; Suleimanov, Yury V; Green, William H; Guo, Hua
2014-03-20
Thermal rate coefficients and kinetic isotope effect have been calculated for prototypical heavy-light-heavy polyatomic bimolecular reactions Cl + CH4/CD4 → HCl/DCl + CH3/CD3, using a recently proposed quantum dynamics approach: ring polymer molecular dynamics (RPMD). Agreement with experimental rate coefficients, which are quite scattered, is satisfactory. However, differences up to 50% have been found between the RPMD results and those obtained from the harmonic variational transition-state theory on one of the two full-dimensional potential energy surfaces used in the calculations. Possible reasons for such discrepancy are discussed. The present work is an important step in a series of benchmark studies aimed at assessing accuracy for RPMD for chemical reaction rates, which demonstrates that this novel method is a quite reliable alternative to previously developed techniques based on transition-state theory.
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.
NASA Astrophysics Data System (ADS)
Atkinson, A.; Schmidt, K.; Fielding, S.; Kawaguchi, S.; Geissler, P. A.
2012-01-01
The kinetics of food processing by zooplankton affects both their energy budgets and the biogeochemical fate of their fecal pellets. We sampled 40 schools of krill across the Scotia Sea during spring, summer and autumn and found that in all 3 seasons, every aspect of their absorption and defecation varied greatly. The C content of fecal pellets varied from 0.85% to 29% of their dry mass (median 9.8%) and C egestion rates varied 75-fold. C:N mass ratios of pellets ranged from 4.9 to 13.2 (median 7.8), higher than values of 3.9 in the krill and 5.4 in their food, pointing to enhanced uptake of N. Pellet sinking rates equated to 27-1218 m d -1 (median 304 m d -1), being governed mainly by pellet diameter (80-600 μm, mean 183 μm) and density (1.038-1.391 g cm -3, mean 1.121 g cm -3). Pellets showed little loss of C or N in filtered seawater over the first 2 days and were physically robust. When feeding rates were low, slow gut passage time and high absorption efficiency resulted in low egestion rates of pellets that were low in C and N content. These pellets were compact, dense and fast-sinking. Conversely, in good feeding conditions much food tended to pass quickly through the gut and was not efficiently absorbed, producing C and N-rich, slow-sinking pellets. Such "superfluous feeding" probably maximises the absolute rates of nutrient absorption. Food composition was also important: diatom-rich diets depressed the C content of the pellets but increased their sinking rates, likely due to silica ballasting. So depending on how krill process food, their pellets could represent both vehicles for rapid export and slow sinking, C and N-rich food sources for pelagic scavengers. C egestion rates by krill averaged 3.4% of summer primary production (and ingestion rates would be 2-10-fold higher than this) so whatever the fate of the pellets, krill are an important re-packager within the food web. While salp pellets tend to sink faster than those of krill, it is the latter
Gilard, Olivier; Quadri, Gianandrea; Caussanel, Matthieu; Duval, Herve; Reynaud, Francois
2010-11-15
A new theoretical approach is proposed to explain the dose, dose rate and temperature sensitivity of the radiation-induced absorption (RIA) in glasses. In this paper, a {beta}{sup th}-order dispersive kinetic model is used to simulate the growth of the density of color centers in irradiated glasses. This model yields an explanation for the power-law dependence on dose and dose rate usually observed for the RIA in optical fibers. It also leads to an Arrhenius-like relationship between the RIA and the glass temperature during irradiation. With a very limited number of adjustable parameters, the model succeeds in explaining, with a good agreement, the RIA growth of two different optical fiber references over wide ranges of dose, dose rate and temperature.
Tajima, Satomi; Hayashi, Toshio; Hori, Masaru
2015-02-26
The rate coefficient of F2 + NO → F + FNO is 2 to 5 orders of magnitude higher than that of F2 + NO2 → F + FNO2 even though bond energies of FNO and FNO2 only differ by ∼0.2 eV. To understand the cause of having different rate coefficients of these two reactions, the change in total energies was calculated by varying the stereochemical arrangement of F2 with respect to NOx (x = 1 or 2) by the density functional theory (DFT), using CAM-B3LYP/6-311 G+(d) in the Gaussian program. The permitted approaching angle between the x-axis and the plane consisting of O, N, F, and ϕ plays a key role to restrict the reaction of NO2 and F2 compared to the reaction of NO and F2. This restriction in the reaction space is considered to be the main cause of different rate coefficients depending on the selection of x = 1 or 2 of the reaction of F2 + NOx → F + FNOx, which was also confirmed by the difference in Si etch rate using the F formed by those reactions. PMID:25599135
Tajima, Satomi; Hayashi, Toshio; Hori, Masaru
2015-02-26
The rate coefficient of F2 + NO → F + FNO is 2 to 5 orders of magnitude higher than that of F2 + NO2 → F + FNO2 even though bond energies of FNO and FNO2 only differ by ∼0.2 eV. To understand the cause of having different rate coefficients of these two reactions, the change in total energies was calculated by varying the stereochemical arrangement of F2 with respect to NOx (x = 1 or 2) by the density functional theory (DFT), using CAM-B3LYP/6-311 G+(d) in the Gaussian program. The permitted approaching angle between the x-axis and the plane consisting of O, N, F, and ϕ plays a key role to restrict the reaction of NO2 and F2 compared to the reaction of NO and F2. This restriction in the reaction space is considered to be the main cause of different rate coefficients depending on the selection of x = 1 or 2 of the reaction of F2 + NOx → F + FNOx, which was also confirmed by the difference in Si etch rate using the F formed by those reactions.
Machida, Yuta; Yamamoto, Takahiko; Koshiji, Kohji
2013-01-01
Human body communication (HBC) is a new communication technology that has presented potential applications in health care and elderly support systems in recent years. In this study, which is focused on a wearable transmitter and receiver for HBC in a body area network (BAN), we performed electromagnetic field analysis and simulation using the finite difference time domain (FDTD) method with various models of the human body. Further we redesigned a number of impedance-matched electrodes to allow transmission without stubs or transformers. The specific absorption rate (SAR) and transmission characteristics S21 of these electrode structures were compared for several models.
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.
NASA Astrophysics Data System (ADS)
McGillen, M. R.; Percival, C. J.; Pieterse, G.; Watson, L. A.; Shallcross, D. E.
2007-02-01
The reactivity of aromatic compounds is of great relevance to pure and applied chemical disciplines, yet existing methods for estimating gas-phase rate coefficients for their reactions with free radicals lack accuracy and universality. Here a novel approach is taken, whereby strong relationships between rate coefficients of aromatic hydrocarbons and a Randić-type topological index are investigated, optimized and developed into a method which requires no specialist software or computing power. Measured gas-phase rate coefficients for the reaction of aromatic hydrocarbons with OH radicals were correlated with a calculated Randić-type index, and optimized by including a term for side chain length. Although this method is exclusively for use with hydrocarbons, it is more diverse than any single existing methodology since it incorporates alkenylbenzenes into correlations, and can be extended towards other radical species such as O(3P) (and tentatively NO3, H and Cl). A comparison (with species common to both techniques) is made between the topological approach advocated here and a popular approach based on electrophilic subsituent constants, where it compares favourably. A modelling study was carried out to assess the impact of using estimated rate coefficients as opposed to measured data in an atmospheric model. The difference in model output was negligible for a range of NOx concentrations, which implies that this method has utility in complex chemical models. Strong relationships (e.g.~for OH, R2 = 0.96) between seemingly diverse compounds including benzene, multisubstituted benzenes with saturated, unsaturated, aliphatic and cyclic substitutions and the nonbenzenoid aromatic, azulene suggests that the Randić-type index presented here represents a new and effective way of describing aromatic reactivity, based on a quantitative structure-activity relationship (QSAR).
NASA Astrophysics Data System (ADS)
McGillen, M. R.; Percival, C. J.; Pieterse, G.; Watson, L. A.; Shallcross, D. E.
2007-07-01
The reactivity of aromatic compounds is of great relevance to pure and applied chemical disciplines, yet existing methods for estimating gas-phase rate coefficients for their reactions with free radicals lack accuracy and universality. Here a novel approach is taken, whereby strong relationships between rate coefficients of aromatic hydrocarbons and a Randić-type topological index are investigated, optimized and developed into a method which requires no specialist software or computing power. Measured gas-phase rate coefficients for the reaction of aromatic hydrocarbons with OH radicals were correlated with a calculated Randić-type index, and optimized by including a term for side chain length. Although this method is exclusively for use with hydrocarbons, it is more diverse than any single existing methodology since it incorporates alkenylbenzenes into correlations, and can be extended towards other radical species such as O(3P) (and tentatively NO3, H and Cl). A comparison (with species common to both techniques) is made between the topological approach advocated here and a popular approach based on electrophilic subsituent constants, where it compares favourably. A modelling study was carried out to assess the impact of using estimated rate coefficients as opposed to measured data in an atmospheric model. The difference in model output was negligible for a range of NOx concentrations, which implies that this method has utility in complex chemical models. Strong relationships (e.g. for OH, R2=0.96) between seemingly diverse compounds including benzene, multisubstituted benzenes with saturated, unsaturated, aliphatic and cyclic substitutions and the nonbenzenoid aromatic, azulene suggests that the Randić-type index presented here represents a new and effective way of describing aromatic reactivity, based on a quantitative structure-activity relationship (QSAR).
Absorbed dose rates in tissue from prompt gamma emissions from near-thermal neutron absorption
Schwahn, Scott O.
2015-10-01
Prompt gamma emission data from the International Atomic Energy Agency s Prompt Gamma-ray Neutron Activation Analysis database are analyzed to determine the absorbed dose rates in tissue to be expected when natural elements are exposed in a near-thermal neutron environment.
High Repetition Rate and Frequency Stabilized Ho:YLF Laser for CO2 Differential Absorption Lidar
NASA Technical Reports Server (NTRS)
Bai, Yingxin; Yu, Jirong; Petros, M.; Petzar, Pau; Trieu, Bo; Lee, Hyung; Singh, U.
2009-01-01
High repetition rate operation of an injection seeded Ho:YLF laser has been demonstrated. For 1 kHz operation, the output pulse energy reaches 5.8mJ and the optical-to-optical efficiency is 39% when the pump power is 14.5W.
NASA Astrophysics Data System (ADS)
Phadatare, M. R.; Meshram, J. V.; Gurav, K. V.; Hyeok Kim, Jin; Pawar, S. H.
2016-03-01
Conversion of electromagnetic energy into heat by nanoparticles (NPs) has the potential to be a powerful, non-invasive technique for biomedical applications such as magnetic fluid hyperthermia, drug release, disease treatment and remote control of single cell functions, but poor conversion efficiencies have hindered practical applications so far. In this paper, an attempt has been made to increase the efficiency of magnetic thermal induction by NPs. To increase the efficiency of magnetic thermal induction by NPs, one can take advantage of the exchange coupling between a magnetically hard core and magnetically soft shell to tune the magnetic properties of the NP and maximize the specific absorption rate, which is the gauge of conversion efficiency. In order to examine the tunability of magnetocrystalline anisotropy and its magnetic heating power, a representative magnetically hard material (CoFe2O4) has been coupled to a soft material (Ni0.5Zn0.5Fe2O4). The synthesized NPs show specific absorption rates that are of an order of magnitude larger than the conventional one.
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.
Ramos Fuentes, F; Cardesa García, J J; Arbués Lacadena, J; Espinosa Ruiz-Cabal, J; Pérez González, J
1987-09-01
A prospective study of continual heart rate monitoring is made in 57 normal newborn infants in the first two hours after birth. They were all divided into three groups according to their type of delivery. We have estimated the coefficient of variation, whose value quantifies the heart rate variability, obtained by continual monitoring. It was significantly lower (p less than 0.05) in newborns whose mothers had received anaesthesia during labour than in infants born by non-induced vaginal delivery. These results support the sensitivity of this method in order to assess neonatal cardiac readaptation.
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.
Dakhlaoui, Hassen
2015-04-07
In the present paper, the linear and nonlinear optical absorption coefficients and refractive index changes between the ground and the first excited states in double GaN/Al{sub x}Ga{sub (1−x)}N quantum wells are studied theoretically. The electronic energy levels and their corresponding wave functions are obtained by solving Schrödinger-Poisson equations self-consistently within the effective mass approximation. The obtained results show that the optical absorption coefficients and refractive index changes can be red- and blue-shifted through varying the left quantum well width and the aluminum concentration x{sub b2} of the central barrier, respectively. These structural parameters are found to present optimum values for carrying out the transition of 0.8 eV (1.55 μm). Furthermore, we show that the desired transition can also be achieved by replacing the GaN in the left quantum well with Al{sub y}Ga{sub (1−y)}N and by varying the aluminum concentration y{sub Al}. The obtained results give a new degree of freedom in optoelectronic device applications such as optical fiber telecommunications operating at (1.55 μm)
Heating rates in furnace atomic absorption using the L'vov platform
Koirtyohann, S.R.; Giddings, R.C.; Taylor, H.E.
1984-01-01
Heating rate profiles for the furnace tube wall, the furnace atmosphere, and a L'vov platform were established for a range of conditions in a cyclically heated graphite atomizer. The tube wall profile was made by direct observation with a recording optical pyrometer. The sodium line reversal method was used to establish the heating rate of the furnace atmosphere, and appearance temperatures for a series metals of differing volatility was used to establish platform profiles. The tube wall heating rate was nearly linear at 2240??C s- until the desired temperature was reached after which the temperature remained constant. The furnace atmosphere reached a given temperature 0.2-0.4 s later than the tube wall through most of the atomize cycle. The platform lagged the tube wall 0.5-0.8 s. Under typical operating conditions the furnace atmosphere was 100-200??C cooler than the tube wall and at nearly constant temperature when the analyte vaporized from the platform. The L'vov platform causes the cyclically heated commercial furnace to approximate the behavior of a constant temperature furnace during atomization. ?? 1984.
NASA Astrophysics Data System (ADS)
Ptashnik, Igor V.; McPheat, Robert; Polyansky, Oleg L.; Shine, Keith P.; Smith, Kevin M.
2016-07-01
Intensities and self-broadening coefficients are presented for about 460 of the strongest water vapour lines in the spectral regions 1400-1840 cm-1 and 3440-3970 cm-1 at room temperature, obtained from rather unique measurements using a 5-mm-path-length cell. The retrieved spectral line parameters are compared with those in the HITRAN database ver. 2008 and 2012 and with recent ab-initio calculations. Both the retrieved intensities and half-widths are on average in reasonable agreement with those in HITRAN-2012. Maximum systematic differences do not exceed 4% for intensities (1600 cm-1 band) and 7% for self-broadening coefficients (3600 cm-1 band). For many lines however significant disagreements were detected with the HITRAN-2012 data, exceeding the average uncertainty of the retrieval. In addition, water vapour line parameters for 5300 cm-1 (1.9 μm) band reported by us in 2005 were also compared with HITRAN-2012, and show average differences of 4-5% for both intensities and half-widths.
NASA Astrophysics Data System (ADS)
Saville, Steven Lee
The design, functionalization, characterization, and applications of magnetic nanoparticles have garnered significant interest over the past several decades. While this area has garnered increasing attention, several questions remain unanswered about the stability of these systems and it's influence on their biomedical applications. To help answer these questions about the stability of these, a novel tri(nitroDOPA) terminated polymer based ligand has been developed for the stabilization of magnetite nanoparticles. The synthesis involves a process in which ethylene oxide is polymerized using a trivinyl initiator, modified with carboxylic acid using a free radical addition of mercaptoundecanoic acid, and then functionalized with nitroDOPA using N,N-dicyclohexylcarbodiimide (DCC) and N-hydroxysuccinimide (NHS) chemistry. This polymer has displayed robust adhesion even in harsh chemical environments, out performing many polymers used today for the stabilization of magnetite. Along these same lines, the effects of instability of these systems were analyzed in both MRI and magnetic hyperthermia applications. It is widely known that formation of linear aggregates (i.e. chains) occurs in more concentrated ferrofluids systems and that this has an affect on the ferrofluid properties. It has been recently reported that for some suspensions of magnetic nanoparticles the transverse proton relaxation rate, R2, is dependent on the time that the sample is exposed to an applied magnetic field. This time dependence has been linked to the formation of linear aggregates or chains in an applied magnetic field via numerical modeling. In this work the relationships between colloidal stability, the formation of these linear structures, and changes observed in the proton transverse relaxation rate and heating rate in magnetic hyperthermia of aqueous suspensions of magnetic particles are examined. The results indicate that varying the ligand length has a direct effect on the colloidal
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.
NASA Astrophysics Data System (ADS)
Nilsson, E. J. K.; Joelsson, L. M. T.; Heimdal, J.; Johnson, M. S.; Nielsen, O. J.
2013-12-01
The reaction rate coefficient k(CH3Br + OH) has been determined in the temperature range 298-373 K, using pulse radiolysis/UV kinetic spectroscopy, and at 298 K using a relative rate method. The Arrhenius expression obtained from a fit to the experimental results is (2.9 ± 0.9) × 10-12 exp(-(1230 ± 125)/T) cm3 molecule-1 s-1, which is greater than the expression currently recommended. The relative rate experiments give k(298 K) = (4.13 ± 0.63) × 10-14 cm3 molecule-1 s-1. The results of the absolute and relative rate experiments indicate that the source budget of atmospheric CH3Br should be reinvestigated, as was recently done for CH3Cl.
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.
NASA Astrophysics Data System (ADS)
Meng, Qingyong; Chen, Jun; Zhang, Dong H.
2015-09-01
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.
Kirikae, M.; Diksic, M.; Yamamoto, Y.L.
1988-08-01
An autoradiographic method for the measurement of the rate of valine incorporation into brain proteins is described. The transfer coefficients for valine into and out of the brain and the rate of valine incorporation into normal rat brain proteins are given. The valine incorporation and the transfer constants of valine between different biological compartments are provided for 14 gray matter and 2 white matter structures of an adult rat brain. The rate of valine incorporation varies between 0.52 +/- 0.19 nmol/g/min in white matter and 1.94 +/- 0.47 in inferior colliculus (gray matter). Generally, the rate of valine incorporation is about three to four times higher in the gray matter than in the white matter structures.
Tillmann, Ralf; Saathoff, Harald; Brauers, Theo; Kiendler-Scharr, Astrid; Mentel, Thomas F
2009-04-01
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.
Allegood, M.S.; Baba, J.S.
2008-01-01
Light interaction with biological tissue can be described using three parameters: the scattering and absorption coeffi cients (μs and μa), as well as the anisotropy (g) which describes the directional dependence of the scattered photons. Accurately determining these optical properties for different tissue types at specifi c wavelengths simultaneously would be benefi cial for a variety of different biomedical applications. The goal of this project was to take a user defi ned g-value and determine the remaining two parameters for a specifi ed wavelength range. A fully automated computer program and process was developed to collect data for all wavelengths in a timely and accurate manner. LabVIEW® was used to write programs to automate raw intensity data collection from a spectrometer equipped integrating sphere, conversion of the data into a format for analysis via Scott Prahl’s Inverse Adding-Doubling (IAD) C code execution, and fi nally computation of the optical properties based on the output from the IAD code. To allow data to be passed effi ciently between LabVIEW® and C code program modules, the two were combined into a single program (OPT 3.1). OPT 3.1 was tested using tissue mimicking phantoms. Determination of the absorption and scattering coeffi cients showed excellent agreement with theory for wavelengths where the user inputted single g-value was suffi ciently precise. Future improvements entail providing for multi-wavelength g-value entry to extend the accuracy of results to encompass the complete multispectral range. Ultimately, the data collection process and algorithms developed through this effort will be used to examine actual biological tissues for the purpose of building and refi ning models for light-tissue interactions.
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 o...
Time-dependent oral absorption models
NASA Technical Reports Server (NTRS)
Higaki, K.; Yamashita, S.; Amidon, G. L.
2001-01-01
The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.
NASA Astrophysics Data System (ADS)
Lu, Mai; Ueno, Shoogo
2012-04-01
The steady increase of mobile phone usage, especially mobile phones by children, has led to a rising concern about the possible adverse health effects of radio frequency electromagnetic field exposure. The objective of this work is to study whether there is a larger radio frequency energy absorption in the brain of a child compared to that of an adult. For this reason, three high-resolution models, two child head models (6 - and 11-year old) and one adult head model (34-year old) have been used in the study. A finite-difference time-domain method was employed to calculate the specific absorption rate (SAR) in the models from exposure to a generic handset at 1750 MHz. The results show that the SAR distributions in the human brain are age-dependent, and there is a deeper penetration of the absorbed SAR in the child's brain. The induced SAR can be significantly higher in subregions of the child's brain. In all of the examined cases, the SAR values in the brains of a child and an adult are well below the IEEE safety standard.
Rate Coefficient for the (4)Heμ + CH4 Reaction at 500 K: Comparison between Theory and Experiment.
Arseneau, Donald J; Fleming, Donald G; Li, Yongle; Li, Jun; Suleimanov, Yury V; Guo, Hua
2016-03-01
The rate constant for the H atom abstraction reaction from methane by the muonic helium atom, Heμ + CH4 → HeμH + CH3, is reported at 500 K and compared with theory, providing an important test of both the potential energy surface (PES) and reaction rate theory for the prototypical polyatomic CH5 reaction system. The theory used to characterize this reaction includes both variational transition-state (CVT/μOMT) theory (VTST) and ring polymer molecular dynamics (RPMD) calculations on a recently developed PES, which are compared as well with earlier calculations on different PESs for the H, D, and Mu + CH4 reactions, the latter, in particular, providing for a variation in atomic mass by a factor of 36. Though rigorous quantum calculations have been carried out for the H + CH4 reaction, these have not yet been extended to the isotopologues of this reaction (in contrast to H3), so it is important to provide tests of less rigorous theories in comparison with kinetic isotope effects measured by experiment. In this regard, the agreement between the VTST and RPMD calculations and experiment for the rate constant of the Heμ + CH4 reaction at 500 K is excellent, within 10% in both cases, which overlaps with experimental error.
Lu, Y.; Ye, X.; Zhang, Z.; Khodayari, A.; Djukadi, T.
2011-01-01
An Integrated Vacuum Carbonate Absorption Process (IVCAP) for post-combustion carbon dioxide (CO2) capture is described. IVCAP employs potassium carbonate (PC) as a solvent, uses waste or low quality steam from the power plant for CO2 stripping, and employs a biocatalyst, carbonic anhydrase (CA) enzyme, for promoting the CO2 absorption into PC solution. A series of experiments were performed to evaluate the activity of CA enzyme mixed in PC solutions in a stirred tank reactor system under various temperatures, CA dosages, CO2 loadings, CO2 partial pressures, and the presence of major flue gas contaminants. It was demonstrated that CA enzyme is an effective biocatalyst for CO2 absorption under IVCAP conditions. ?? 2011 Published by Elsevier Ltd.
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.
Hayashi, K; Hara, H; Asvarujanon, P; Aoyama, Y; Luangpituksa, P
2001-10-01
We examined the effects of ingestion of five types of insoluble fibre on growth and Zn absorption in rats fed a marginally Zn-deficient diet (6.75 mg (0.103 mmol) Zn/kg diet) with or without added sodium phytate (12.6 mmol/kg diet). The types of insoluble fibre tested were corn husks, watermelon skin, yam-bean root (Pachyrhizus erosus) and pineapple core, and cellulose was used as a control (100 g/kg diet). Body-weight gain in the cellulose groups was suppressed by 57 % by feeding phytate. Body-weight gain in phytate-fed rats was 80 % greater in the watermelon skin fibre and yam-bean root fibre group than that in the cellulose group. Zn absorption ratio in the cellulose groups was lowered by 46 and 70 % in the first (days 7-10) and second (days 16-19) measurement periods with feeding phytate. In the rats fed the phytate-containing diets, Zn absorption ratio in the watermelon skin, yam-bean root and pineapple core fibre groups was 140, 80 and 54 % higher respectively than that in the cellulose group, in the second period. Fe absorption was not suppressed by phytate, however, feeding of these three types of fibre promoted Fe absorption in rats fed phytate-free diets. The concentration of soluble Zn in the caecal contents in the watermelon skin fibre or yam-bean root fibre groups was identical to that in the control group in spite of a higher short-chain fatty acid concentration and lower pH in the caecum. These findings indicate that ingestion of these types of insoluble fibre recovered the growth and Zn absorption suppressed by feeding a high level of phytate, and factors other than caecal fermentation may also be involved in this effect of insoluble fibre. PMID:11591231
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.
Marshall, S.V.; Brown, R.F.
1983-01-01
A maximum of six live mice, mouse cadavers, prolate spheroids molded from muscle-equivalent tissue, or saline-filled culture flasks, were exposed to continuous wave radiation in a TEM cell at frequencies between 200 and 400 MHz. Whole-body average specific absorption rate (SAR) was determined from power meter measurements of incident, reflected, and transmitted powers. The SARs for both live mice and cadavers were approximately twice that for the prolate spheroid models, and when housed in Plexiglas restraining cages, about 2 1/2 times greater. An error multiplying factor is identified, that quantitatively expresses how SAR data obtained by the three-power-meter method becomes progressively more noisy as the irradiation frequency is lowered or as the TEM cell cross section is increased.
Hsu, Irving; Mills, Bernice E.
2010-08-01
A prototype of a tritium thermoelectric generator (TTG) is currently being developed at Sandia. In the TTG, a vacuum jacket reduces the amount of heat lost from the high temperature source via convection. However, outgassing presents challenges to maintaining a vacuum for many years. Getters are chemically active substances that scavenge residual gases in a vacuum system. In order to maintain the vacuum jacket at approximately 1.0 x 10{sup -4} torr for decades, nonevaporable getters that can operate from -55 C to 60 C are going to be used. This paper focuses on the hydrogen capacity and absorption rate of the St707{trademark} non-evaporable getter by SAES. Using a getter testing manifold, we have carried out experiments to test these characteristics of the getter over the temperature range of -77 C to 60 C. The results from this study can be used to size the getter appropriately.
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.
Stigliano, Robert; Baker, Ian
2015-01-01
Magnetic nanoparticles (MNPs), referred to as the Dartmouth MNPs, which exhibit high specific absorption rate at low applied field strength have been developed for hyperthermia therapy applications. The MNPs consist of small (2–5 nm) single crystals of gamma-Fe2O3 with saccharide chains implanted in their crystalline structure, forming 20–40 nm flower-like aggregates with a hydrodynamic diameter of 110–120 nm. The MNPs form stable (>12 months) colloidal solutions in water and exhibit no hysteresis under an applied quasistatic magnetic field, and produce a significant amount of heat at field strengths as low as 100 Oe at 99–164 kHz. The MNP heating mechanisms under an alternating magnetic field (AMF) are discussed and analyzed quantitatively based on (a) the calculated multi-scale MNP interactions obtained using a three dimensional numerical model called the method of auxiliary sources, (b) measured MNP frequency spectra, and (c) quantified MNP friction losses based on magneto-viscous theory. The frequency responses and hysteresis curves of the Dartmouth MNPs are measured and compared to the modeled data. The specific absorption rate of the particles is measured at various AMF strengths and frequencies, and compared to commercially available MNPs. The comparisons demonstrate the superior heating properties of the Dartmouth MNPs at low field strengths (<250 Oe). This may extend MNP hyperthermia therapy to deeper tumors that were previously non-viable targets, potentially enabling the treatment of some of the most difficult cancers, such as pancreatic and rectal cancers, without damaging normal tissue. PMID:25825545
NASA Astrophysics Data System (ADS)
Shubitidze, Fridon; Kekalo, Katsiaryna; Stigliano, Robert; Baker, Ian
2015-03-01
Magnetic nanoparticles (MNPs), referred to as the Dartmouth MNPs, which exhibit high specific absorption rate at low applied field strength have been developed for hyperthermia therapy applications. The MNPs consist of small (2-5 nm) single crystals of gamma-Fe2O3 with saccharide chains implanted in their crystalline structure, forming 20-40 nm flower-like aggregates with a hydrodynamic diameter of 110-120 nm. The MNPs form stable (>12 months) colloidal solutions in water and exhibit no hysteresis under an applied quasistatic magnetic field, and produce a significant amount of heat at field strengths as low as 100 Oe at 99-164 kHz. The MNP heating mechanisms under an alternating magnetic field (AMF) are discussed and analyzed quantitatively based on (a) the calculated multi-scale MNP interactions obtained using a three dimensional numerical model called the method of auxiliary sources, (b) measured MNP frequency spectra, and (c) quantified MNP friction losses based on magneto-viscous theory. The frequency responses and hysteresis curves of the Dartmouth MNPs are measured and compared to the modeled data. The specific absorption rate of the particles is measured at various AMF strengths and frequencies, and compared to commercially available MNPs. The comparisons demonstrate the superior heating properties of the Dartmouth MNPs at low field strengths (<250 Oe). This may extend MNP hyperthermia therapy to deeper tumors that were previously non-viable targets, potentially enabling the treatment of some of the most difficult cancers, such as pancreatic and rectal cancers, without damaging normal tissue.
Endres, Eric S; Lakhmanskaya, Olga; Hauser, Daniel; Huber, Stefan E; Best, Thorsten; Kumar, Sunil S; Probst, Michael; Wester, Roland
2014-08-21
In the interstellar medium (ISM) ion–molecule reactions play a key role in forming complex molecules. Since 2006, after the radioastronomical discovery of the first of by now six interstellar anions, interest has grown in understanding the formation and destruction pathways of negative ions in the ISM. Experiments have focused on reactions and photodetachment of the identified negatively charged ions. Hints were found that the reactions of CnH(–) with H2 may proceed with a low (<10(–13) cm(3) s(–1)), but finite rate [Eichelberger, B.; et al. Astrophys. J. 2007, 667, 1283]. Because of the high abundance of molecular hydrogen in the ISM, a precise knowledge of the reaction rate is needed for a better understanding of the low-temperature chemistry in the ISM. A suitable tool to analyze rare reactions is the 22-pole radiofrequency ion trap. Here, we report on reaction rates for Cn(–) and CnH(–) (n = 2, 4, 6) with buffer gas temperatures of H2 at 12 and 300 K. Our experiments show the absence of these reactions with an upper limit to the rate coefficients between 4 × 10(–16) and 5 × 10(–15) cm(3) s(–1), except for the case of C2(–), which does react with a finite rate with H2 at low temperatures. For the cases of C2H(–) and C4H(–), the experimental results were confirmed with quantum chemical calculations. In addition, the possible influence of a residual reactivity on the abundance of C4H(–) and C6H(–) in the ISM were estimated on the basis of a gas-phase chemical model based on the KIDA database. We found that the simulated ion abundances are already unaffected if reaction rate coefficients with H2 were below 10(–14) cm(3) s(–1).
NASA Astrophysics Data System (ADS)
Dahiya, M. S.; Khasa, S.; Agarwal, A.
2015-04-01
Some important results pertaining to optical and thermal properties of vanadyl doped oxy-halide glasses in the chemical composition CaCl2-CaO-B2O3 are discussed. These glasses have been prepared by conventional melt quench technique. From X-ray diffraction (XRD) profiles the amorphous nature of the doped glasses has been confirmed. The electronic polarizability is calculated and found to increase with increase in chloride content. The optical absorption spectra have been recorded in the frequency range of 200-3200 nm. Recorded spectra are analyzed to evaluate cut-off wavelength (λcut-off), optical band gap (Eg), band tailing (B), Urbach energy (ΔE) and refractive index (n). Thermal analysis has been carried out for the prepared glasses at three different heating rates viz. 5, 10 and 20 °C/min. The glass transition temperature (Tg) along with thermal activation energy (Ea) corresponding to each heating rate are evaluated from differential scanning calorimetry (DSC) thermographs. It is found that Ea decrease and Tg increase with increase in heating rate. The variation in Tg is also observed with the substitution of calcium chloride in place of calcium oxide. The increasing and higher values of Ea suggest that prepared glasses have good thermal stability. Variation in Tg and Eg suggests that Cl- anions enter into the voids of borate network at low concentrations (<5.0%) and contribute to the network formation at high concentration (>5.0%).
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.
Sandström, B; Arvidsson, B; Cederblad, A; Björn-Rasmussen, E
1980-04-01
The absorption of zinc in man from composite meals based on bread was measured with a radionuclide technique using 65Zn and whole-body counting. Bread was made up from wheat flour of 100 and 72% extraction rate. A lower absolute amount of zinc was absorbed from the white bread compared to the absorption from the same amount of wholemeal bread. When the two types of bread were enriched with zinc chloride the absorption was higher from the white bread than from the wholemeal bread. Addition of calcium in the form of milk products improved the absorption of zinc from a meal with wholemeal bread. A significant positive correlation was found between zinc absorption and the protein content in meals containing milk, cheese, beef, and egg in various combinations with the wholemeal bread.
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
Rosická, Dana; Sembera, Jan
2013-01-01
: The need may arise to be able to simulate the migration of groundwater nanoparticles through the ground. Transportation velocities of nanoparticles are different from that of water and depend on many processes that occur during migration. Unstable nanoparticles, such as zero-valent iron nanoparticles, are especially slowed down by aggregation between them. The aggregation occurs when attracting forces outweigh repulsive forces between the particles. In the case of iron nanoparticles that are used for remediation, magnetic forces between particles contribute to attractive forces and nanoparticles aggregate rapidly. This paper describes the addition of attractive magnetic forces and repulsive electrostatic forces between particles (by 'particle', we mean both single nanoparticles and created aggregates) into a basic model of aggregation which is commonly used. This model is created on the basis of the flow of particles in the proximity of observed particles that gives the rate of aggregation of the observed particle. By using a limit distance that has been described in our previous work, the flow of particles around one particle is observed in larger spacing between the particles. Attractive magnetic forces between particles draw the particles into closer proximity and result in aggregation. This model fits more closely with rapid aggregation which occurs between magnetic nanoparticles.
Osone, Yoko; Ishida, Atsushi; Tateno, Masaki
2008-07-01
Close correlations between specific leaf area (SLA) and relative growth rate (RGR) have been reported in many studies. However, theoretically, SLA by itself has small net positive effect on RGR because any increase in SLA inevitably causes a decrease in area-based leaf nitrogen concentration (LNCa), another RGR component. It was hypothesized that, for a correlation between SLA and RGR, SLA needs to be associated with specific nitrogen absorption rate of roots (SAR), which counteracts the negative effect of SLA on LNCa. Five trees and six herbs were grown under optimal conditions and relationships between SAR and RGR components were analyzed using a model based on balanced growth hypothesis. SLA varied 1.9-fold between species. Simulations predicted that, if SAR is not associated with SLA, this variation in SLA would cause a47% decrease in LNCa along the SLA gradient, leading to a marginal net positive effect on RGR. In reality, SAR was positively related to SLA, showing a 3.9-fold variation, which largely compensated for the negative effect of SLA on LNCa. Consequently, LNCa values were almost constant across species and a positive SLA-RGR relationship was achieved. These results highlight the importance of leaf-root interactions in understanding interspecific differences in RGR.
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.
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.
NASA Astrophysics Data System (ADS)
Tanifuji, T.
2016-03-01
Time-resolved multi-distance measurements are studied to retrieve absorption and reduced scattering coefficients of adult heads, which have enough depth sensitivity to determine the optical parameters in superficial tissues and brain separately. Measurements were performed by putting the injection and collection fibers on the left semi-sphere of the forehead, with the injection fiber placed toward the temporal region, and by moving the collection fiber between 10 and 60 mm from the central sulcus. It became clear that optical parameters of the forehead at all collection fibers were reasonably determined by selecting the appropriate visibility length of the geometrical head models, which is related to head surface curvature at each position.
NASA Astrophysics Data System (ADS)
Tanifuji, T.; Sakai, D.
2015-03-01
The absorption and reduced scattering coefficients ( μa and μ's) of adult heads were determined by multidistance timeresolved reflectance measurements. The finite difference time domain analysis was used to calculate the time-resolved reflectance from adult head models. In vivo time-resolved reflectances of human heads was measured at wavelengths of 680 and 780 nm. By minimizing the objective functions that compare the theoretical and experimental time-resolved reflectances, μa and μ's of the brains were determined. The results show that the time shift tolerance of measured reflectance for reducing to less than 10% the deviations in μa and μ's due to their coupling from the values obtained by optimum time shifts is more than 20 ps at both wavelengths.
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.
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.
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.
NASA Astrophysics Data System (ADS)
Bisetti, Fabrizio; El Morsli, Mbark
2014-01-01
The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO2 and N2 as well as impact dissociation of O2 being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 1010 cm-3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed.
Vetters, B; Dils, B; Nguyen, T L; Vereecken, L; Carl, S A; Peeters, J
2009-06-01
The absolute rate coefficients of the reactions of the carbyne-radical CF(X(2)Pi, nu = 0) with O(2), F(2) and Cl(2) have been measured over extended temperature ranges, using pulsed-laser photodissociation-laser-induced fluorescence (PLP-LIF) techniques. The CF(X(2)Pi) radicals were generated by KrF excimer laser 2-photon photolysis of CF(2)Br(2) at 248 nm and the real-time exponential decays of CF(X(2)Pi, nu = 0) at varying coreactant concentrations, in large excess, were monitored by LIF (A(2)Sigma(+), nu' = 1 <-- X(2)Pi, nu'' = 0 transition). The experimental bimolecular rate coefficients of the CF(X(2)Pi) reactions with F(2) and Cl(2) can be described by simple Arrhenius expressions: k(F2)(295-408 K) = (1.5 +/- 0.2) x 10(-11) exp[-(370 +/- 40)K/T] cm(3) molecule(-1) s(-1); and k(Cl2)(295-392 K) = (6.1 +/- 2.1) x 10(-12) exp[+(280 +/- 120)K/T]. The k(F2)(T) and k(Cl2)(T) results can be rationalized in terms of direct halogen-atom abstraction reactions in which the radical character of CF dominates; a quantum chemical CBS-Q//BHandHLYP/6-311G(d,p) study confirms that the ground state reactants CF(X(2)Pi) + F(2)(X(1)Sigma) connect directly with the ground-state products CF(2)(X(1)A(1)) + F((2)P) via a nearly barrierless F-atom abstraction route. The rate coefficient of CF(X(2)Pi) + O(2) can be represented by a two-term Arrhenius expression: k(O2)(258-780 K) = 1.1 x 10(-11) exp(-850 K/T) + 2.3 x 10(-13) exp(500 K/T), with a standard deviation of 5%. The first term dominates at higher temperatures T and the second at lower T where a negative temperature dependence is observed (<290 K). Quantum chemical computations at the CBS-QB3 and CCSD(T)/aug-cc-pVDZ levels of theory show that the k(O2)(T) behaviour is consistent with a change of the dominant rate-determining mechanism from a carbyne-type insertion into the O-O bond at high T to a radical-radical combination at low T.
Kok, H. Petra; Ciampa, Silvia; Kroon-Oldenhof, Rianne de; Steggerda-Carvalho, Eva J.; Stam, Gerard van; Zum Vörde Sive Vörding, Paul J.; Stalpers, Lukas J.A.; Geijsen, Elisabeth D.; Bardati, Fernando; Bel, Arjan; Crezee, Johannes
2014-10-01
Purpose: Hyperthermia is the clinical application of heat, in which tumor temperatures are raised to 40°C to 45°C. This proven radiation and chemosensitizer significantly improves clinical outcome for several tumor sites. Earlier studies of the use of pre-treatment planning for hyperthermia showed good qualitative but disappointing quantitative reliability. The purpose of this study was to investigate whether hyperthermia treatment planning (HTP) can be used more reliably for online adaptive treatment planning during locoregional hyperthermia treatments. Methods and Materials: This study included 78 treatment sessions for 15 patients with non-muscle-invasive bladder cancer. At the start of treatments, temperature rise measurements were performed with 3 different antenna settings optimized for each patient, from which the absorbed power (specific absorption rate [SAR]) was derived. HTP was performed based on a computed tomography (CT) scan in treatment position with the bladder catheter in situ. The SAR along the thermocouple tracks was extracted from the simulated SAR distributions. Correlations between measured and simulated (average) SAR values were determined. To evaluate phase steering, correlations between the changes in simulated and measured SAR values averaged over the thermocouple probe were determined for all 3 combinations of antenna settings. Results: For 42% of the individual treatment sessions, the correlation coefficient between measured and simulated SAR profiles was higher than 0.5, whereas 58% showed a weak correlation (R of <0.5). The overall correlation coefficient between measured and simulated average SAR was weak (R=0.31; P<.001). The measured and simulated changes in average SAR after adapting antenna settings correlated much better (R=0.70; P<.001). The ratio between the measured and simulated quotients of maximum and average SARs was 1.03 ± 0.26 (mean ± SD), indicating that HTP can also correctly predict the relative amplitude of
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.
Pacheco, M.A.; Rochelle, G.T.
1998-10-01
A general framework was developed to model the transport processes that take place during reactive absorption when both rate- and equilibrium-controlled reactions occur in the liquid phase. This framework was applied to the selective absorption of H{sub 2}S from fuel gas containing CO{sub 2} using aqueous methyldiethanolamine. A rate-based distillation column module was used for the column integration. The Maxwell-Stefan and enhancement factor theories were utilized. In packed columns, CO{sub 2} absorption is controlled by diffusion with fast chemical reactions; in trayed columns it is controlled primarily by physical absorption. Gas-film resistance is never significant for CO{sub 2} absorption. For H{sub 2}S absorption, gas- and liquid-film resistances are important, and diffusion of bisulfide controls the liquid-film resistance. Heat effects produce temperatures bulges that can cause equilibrium pinches at the maximum temperature. This phenomenon gives an optimum packing height for the H{sub 2}S removal. Trayed columns are more selective than packed columns for H{sub 2}S removal, primarily because of the larger number of liquid-film mass transfer units.
Computational oral absorption simulation for low-solubility compounds.
Sugano, Kiyohiko
2009-11-01
Bile micelles play an important role in oral absorption of low-solubility compounds. Bile micelles can affect solubility, dissolution rate, and permeability. For the pH-solubility profile in bile micelles, the Henderson-Hasselbalch equation should be modified to take bile-micelle partition into account. For the dissolution rate, in the Nernst-Brunner equation, the effective diffusion coefficient in bile-micelle media should be used instead of the monomer diffusion coefficient. The diffusion coefficient of bile micelles is 8- to 18-fold smaller than that of monomer molecules. For permeability, the effective diffusion coefficient in the unstirred water layer adjacent to the epithelial membrane, and the free fraction at the epithelial membrane surface should be taken into account. The importance of these aspects is demonstrated here using several in vivo and clinical oral-absorption data of low-solubility model compounds. Using the theoretical equations, the food effect on oral absorption is further discussed.
NASA Astrophysics Data System (ADS)
Mosher, Nathaniel; Perkins-Harbin, Emily; Aho, Brandon; Wang, Lihua; Kumon, Ronald; Rablau, Corneliu; Vaishnava, Prem; Tackett, Ronald; Therapeutic Biomaterials Group Team
2015-03-01
Colloidal suspensions of superparamagnetic nanoparticles, known as ferrofluids, are promising candidates for the mediation of magnetic fluid hyperthermia (MFH). In such materials, the dissipation of heat occurs as a result of the relaxation of the particles in an applied ac magnetic field via the Brownian and Neel mechanisms. In order to isolate and study the role of the Neel mechanism in this process, the sample can be frozen, using liquid nitrogen, in order to suppress the Brownian relaxation. In this experiment, dextran-coated Fe3O4 nanoparticles synthesized via co-precipitation and characterized via transmission electron microscopy and dc magnetization are used as MFH mediators over the temperature range between -70 °C to -10 °C (Brownian-suppressed state). Heating the nanoparticles using ac magnetic field (amplitude ~300 Oe), the frequency dependence of the specific absorption rate (SAR) is calculated between 150 kHz and 350 kHz and used to determine the magnetocrystalline anisotropy of the sample. We would like to thank Fluxtrol, Inc. for their help with this project
Thorat, Nanasaheb D; Bohara, Raghvendra A; Malgras, Victor; Tofail, Syed A M; Ahamad, Tansir; Alshehri, Saad M; Wu, Kevin C-W; Yamauchi, Yusuke
2016-06-15
Superparamagnetic nanoparticles (SPMNPs) used for magnetic resonance imaging (MRI) and magnetic fluid hyperthermia (MFH) cancer therapy frequently face trade off between a high magnetization saturation and their good colloidal stability, high specific absorption rate (SAR), and most importantly biological compatibility. This necessitates the development of new nanomaterials, as MFH and MRI are considered to be one of the most promising combined noninvasive treatments. In the present study, we investigated polyethylene glycol (PEG) functionalized La1-xSrxMnO3 (LSMO) SPMNPs for efficient cancer hyperthermia therapy and MRI application. The superparamagnetic nanomaterial revealed excellent colloidal stability and biocompatibility. A high SAR of 390 W/g was observed due to higher colloidal stability leading to an increased Brownian and Neel's spin relaxation. Cell viability of PEG capped nanoparticles is up to 80% on different cell lines tested rigorously using different methods. PEG coating provided excellent hemocompatibility to human red blood cells as PEG functionalized SPMNPs reduced hemolysis efficiently compared to its uncoated counterpart. Magnetic fluid hyperthermia of SPMNPs resulted in cancer cell death up to 80%. Additionally, improved MRI characteristics were also observed for the PEG capped La1-xSrxMnO3 formulation in aqueous medium compared to the bare LSMO. Taken together, PEG capped SPMNPs can be useful for diagnosis, efficient magnetic fluid hyperthermia, and multimodal cancer treatment as the amphiphilicity of PEG can easily be utilized to encapsulate hydrophobic drugs. PMID:27197993
Luo, Minmin; Hu, Can; Zhuang, Yayun; Chen, Wufan; Liu, Feng; Xin, Sherman Xuegang
2016-08-01
The specific absorption rate (SAR) is an important issue to be considered in fetus MRI at 3 T due to the high radiofrequency energy deposited inside the body of pregnant woman. The high dielectric material (HDM) has shown its potential for enhancing B1 field and reducing SAR in MRI. The aim of this study is to assess the feasibility of SAR reduction by adding an HDM to the fetus MRI. The feasibility of SAR reduction is numerically assessed in this study, using a birdcage coil in transmission loaded with an electromagnetic pregnant woman model in the SEMCAD-EM solver. The HDMs with different geometric arrangements and dielectric constants are manually optimized. The B1+ ${B_1}^ + $ homogeneity is also considered while calculating the optimized fetus 10 g local SAR among different strategies in the application of HDM. The optimum maximum fetus 10 g local SAR was obtained as 2.25 W/kg, by using two conformal pads placed left and right with the dielectric constant to be 400, reduced by 24.75% compared to that without the HDM. It indicated that the SAR can be significantly reduced with strategic placement of the HDM and the use of HDM may provide a simple, effective and low-cost method for reducing the SAR for the fetus MRI at 3 T. PMID:26985683
Thorat, Nanasaheb D; Bohara, Raghvendra A; Malgras, Victor; Tofail, Syed A M; Ahamad, Tansir; Alshehri, Saad M; Wu, Kevin C-W; Yamauchi, Yusuke
2016-06-15
Superparamagnetic nanoparticles (SPMNPs) used for magnetic resonance imaging (MRI) and magnetic fluid hyperthermia (MFH) cancer therapy frequently face trade off between a high magnetization saturation and their good colloidal stability, high specific absorption rate (SAR), and most importantly biological compatibility. This necessitates the development of new nanomaterials, as MFH and MRI are considered to be one of the most promising combined noninvasive treatments. In the present study, we investigated polyethylene glycol (PEG) functionalized La1-xSrxMnO3 (LSMO) SPMNPs for efficient cancer hyperthermia therapy and MRI application. The superparamagnetic nanomaterial revealed excellent colloidal stability and biocompatibility. A high SAR of 390 W/g was observed due to higher colloidal stability leading to an increased Brownian and Neel's spin relaxation. Cell viability of PEG capped nanoparticles is up to 80% on different cell lines tested rigorously using different methods. PEG coating provided excellent hemocompatibility to human red blood cells as PEG functionalized SPMNPs reduced hemolysis efficiently compared to its uncoated counterpart. Magnetic fluid hyperthermia of SPMNPs resulted in cancer cell death up to 80%. Additionally, improved MRI characteristics were also observed for the PEG capped La1-xSrxMnO3 formulation in aqueous medium compared to the bare LSMO. Taken together, PEG capped SPMNPs can be useful for diagnosis, efficient magnetic fluid hyperthermia, and multimodal cancer treatment as the amphiphilicity of PEG can easily be utilized to encapsulate hydrophobic drugs.
NASA Astrophysics Data System (ADS)
Garaio, Eneko; Sandre, Olivier; Collantes, Juan-Mari; Garcia, Jose Angel; Mornet, Stéphane; Plazaola, Fernando
2015-01-01
Magnetic nanoparticles (NPs) are intensively studied for their potential use for magnetic hyperthermia, a treatment that has passed a phase II clinical trial against severe brain cancer (glioblastoma) at the end of 2011. Their heating power, characterized by the ‘specific absorption rate (SAR)’, is often considered temperature independent in the literature, mainly because of the difficulties that arise from the measurement methodology. Using a dynamic magnetometer presented in a recent paper, we measure here the thermal dependence of SAR for superparamagnetic iron oxide (maghemite) NPs of four different size-ranges corresponding to mean diameters around 12 nm, 14 nm, 15 nm and 16 nm. The article reports a parametrical study extending from 10 to 60 {}^\\circ C in temperature, from 75 to 1031 kHz in frequency, and from 2 to 24 kA m-1 in magnetic field strength. It was observed that SAR values of smaller NPs decrease with temperature whereas for the larger sample (16 nm) SAR values increase with temperature. The measured variation of SAR with temperature is frequency dependent. This behaviour is fully explained within the scope of linear response theory based on Néel and Brown relaxation processes, using independent magnetic measurements of the specific magnetization and the magnetic anisotropy constant. A good quantitative agreement between experimental values and theoretical values is confirmed in a tri-dimensional space that uses as coordinates the field strength, the frequency and the temperature.
NASA Technical Reports Server (NTRS)
Johnsen, R.; Biondi, M. A.
1980-01-01
Rate coefficients which have been measured at thermal energies for the charge transfer reactions of metastable O+/2D/ ions with N2 and O2 are reported. It is found that at an effective temperature of about 550 K, k(n2) = (8 + or - 2) x 10 to the -10 cu cm/sec and k(O2) = (7 + or - 2) x 10 to the -10 cu cm/sec. Drift tube-mass spectrometer measurements employ the reaction He(+) + O2 as the source of metastable O+ ions, showing that the ions produced in this manner are in the 2D state rather than the 2P state, a possible alternative identification. Finally, consideration is given to the ionospheric implications of the laboratory measurements.
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.
NASA Astrophysics Data System (ADS)
Feofilov, A. G.; Kutepov, A. A.; She, C.-Y.; Smith, A. K.; Pesnell, W. D.; Goldberg, R. A.
2012-10-01
Among the processes governing the energy balance in the mesosphere and lower thermosphere (MLT), the quenching of CO2(ν2) 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, 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 Fort Collins sodium lidar observations by minimizing the difference between measured and simulated broadband limb 15 μm radiation. The averaged kVT value obtained in this work is 6.5 ± 1.5 × 10-12 cm3 s-1 that is close to other estimates of this coefficient from the atmospheric observations. However, the retrieved kVT also shows altitude dependence and varies from 5.5 ± 1.1 × 10-12 cm3 s-1 at 90 km to 7.9 ± 1.2 × 10-12 cm3 s-1 at 105 km. 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.
High efficiency advanced absorption heat pump
NASA Astrophysics Data System (ADS)
Reid, E. A., Jr.
1982-03-01
A high efficiency absorption heat pump for the residential market is investigated. The performance targets established for this high efficiency absorption heat pump are a heating coefficient of performance of 1.5 and a cooling coefficient of performance of 0.8 at rating conditions, including parasitic electric power consumption. The resulting heat pump would have a space heating capacity of 68,000 BTU/hour, and a space cooling capacity of 36,000 BTU/hour at rating conditions. A very simplified schematic block diagram of the high efficiency absorption heat pump cycle is shown. High temperature, high pressure, refrigerant vapor is produced in the refrigerant generator and heat exchange system, is condensed to a liquid in the condenser, expanded to a low pressure vapor in the evaporator, and mixed with and reabsorbed into the weakened solution returned from the refrigerant generator and heat exchange system in the absorber.
Angelone, Leonardo M.; Ahveninen, Jyrki; Belliveau, John W.; Bonmassar, Giorgio
2011-01-01
Magnetic resonance imaging (MRI) on patients with implanted deep brain stimulators (DBSs) can be hazardous because of the antenna-effect of leads exposed to the incident radio-frequency field. This study evaluated electromagnetic field and specific absorption rate (SAR) changes as a function of lead resistivity on an anatomically precise head model in a 3T system. The anatomical accuracy of our head model allowed for detailed modeling of the path of DBS leads between epidermis and the outer table. Our electromagnetic finite difference time domain (FDTD) analysis showed significant changes of 1 g and 10 g averaged SAR for the range of lead resistivity modeled, including highly conductive leads up to highly resistive leads. Antenna performance and whole-head SAR were sensitive to the presence of the DBS leads only within 10%, while changes of over one order of magnitude were observed for the peak 10 g averaged SAR, suggesting that local SAR values should be considered in DBS guidelines. With ρlead = ρcopper, and the MRI coil driven to produce a whole-head SAR without leads of 3.2 W/kg, the 1 g averaged SAR was 1080 W/kg and the 10 g averaged SAR 120 W/kg at the tip of the DBS lead. Conversely, in the control case without leads, the 1 g and 10 g averaged SAR were 0.5 W/kg and 0.6 W/kg, respectively, in the same location. The SAR at the tip of lead was similar with electrically homogeneous and electrically heterogeneous models. Our results show that computational models can support the development of novel lead technology, properly balancing the requirements of SAR deposition at the tip of the lead and power dissipation of the system battery. PMID:20335090
NASA Astrophysics Data System (ADS)
Dimbylow, Peter
2005-09-01
Finite-difference time-domain (FDTD) calculations have been performed of the whole-body averaged specific energy absorption rate (SAR) in a female voxel model, NAOMI, under isolated and grounded conditions from 10 MHz to 3 GHz. The 2 mm resolution voxel model, NAOMI, was scaled to a height of 1.63 m and a mass of 60 kg, the dimensions of the ICRP reference adult female. Comparison was made with SAR values from a reference male voxel model, NORMAN. A broad SAR resonance in the NAOMI values was found around 900 MHz and a resulting enhancement, up to 25%, over the values for the male voxel model, NORMAN. This latter result confirmed previously reported higher values in a female model. The effect of differences in anatomy was investigated by comparing values for 10-, 5- and 1-year-old phantoms rescaled to the ICRP reference values of height and mass which are the same for both sexes. The broad resonance in the NAOMI child values around 1 GHz is still a strong feature. A comparison has been made with ICNIRP guidelines. The ICNIRP occupational reference level provides a conservative estimate of the whole-body averaged SAR restriction. The linear scaling of the adult phantom using different factors in longitudinal and transverse directions, in order to match the ICRP stature and weight, does not exactly reproduce the anatomy of children. However, for public exposure the calculations with scaled child models indicate that the ICNIRP reference level may not provide a conservative estimate of the whole-body averaged SAR restriction, above 1.2 GHz for scaled 5- and 1-year-old female models, although any underestimate is by less than 20%.
NASA Astrophysics Data System (ADS)
Ndengué, Steve; Jost, Rémy; Gatti, Fabien; Schinke, Reinhard; Madronich, Sasha
2010-05-01
The absorption cross sections (XSs) of eighteen isotopologues of the ozone molecule have been calculated in the range of the Chappuis-Huggins-Hartley bands: 15000-55000 cm-1 with special emphasis to those of atmospheric interest: symmetric 16O3, 16O17O16O, and 16O18O16O and asymmetric 17O16O2 and 18O16O2. We have used the MCTDH code which is based on the time propagation of the X(0,0,0) ground state initial wavepacket on the excited state PESs. The XSs have been obtained as the Fourier transform of the autocorrelation function of this wavepacket. The calculations have been performed only for zero total angular momentum and the rotational structure has been modeled numerically. The isotopologue dependence of the overall XSs has been characterized differently in each of the three bands: in the Chappuis band (15000-27000 cm-1) and in the Hartley band (33000-55000 cm-1), the XSs are weakly structured and the isotopologue dependence is globally weak. In contrast, in the Huggins band (27000 to 33000 cm-1) the different XSs are highly structured and their peaks are significantly shifted from those of the 16O3 absolute XS which has been chosen as reference. The Hartley band of each isotopologue can be approximated by a bell shape envelop modeled by a modified Gaussian depending on only four parameters: amplitude, centre, width and asymmetry. The isotopologue dependence of the Hartley band resumes only into tiny differences between these parameters. The dependence of the Chappuis band is also weak. The isotopologue shifts of peaks in the Huggins bands induce a significant dependence of the photodissociation rates because these rates are the integral of the product of the XS by the actinic flux. Below 30 km, the actinic flux displays a tremendous attenuation in the range of the Hartley band because the solar flux is strongly absorbed by the stratospheric ozone, almost exclusively by the 16O3 isotopologue. This implies two consequences: a) the actinic flux reproduces
Teplukhin, Alexander; Babikov, Dmitri
2016-07-28
Rigorous calculations of scattering resonances in ozone are carried out for a broad range of rotational excitations. The accurate potential energy surface of Dawes is adopted, and a new efficient method for calculations of ro-vibrational energies, wave functions and resonance lifetimes is employed (which uses hyper-spherical coordinates, the sequential diagonalization/truncation approach, grid optimization and complex absorbing potential). A detailed analysis is carried out to characterize distributions of resonance energies and lifetimes, their rotational/vibrational content and their positions with respect to the centrifugal barrier. Emphasis is on the contribution of these resonances to the recombination process that forms ozone. It is found that major contributions come from localized resonances at energies near the top of the barrier. Delocalized resonances at higher energies should also be taken into account, while very narrow resonances at low energies (trapped far behind the centrifugal barrier) should be treated as bound states. The absolute value of the recombination rate coefficient, its pressure and temperature dependencies are obtained using the energy-transfer model developed in the earlier work. Good agreement with experimental data is obtained if one follows the suggestion of Troe, who argued that the energy transfer mechanism of recombination is responsible only for 55% of the recombination rate (with the remaining 45% coming from the competing chaperon mechanism). PMID:27364351
Teplukhin, Alexander; Babikov, Dmitri
2016-07-28
Rigorous calculations of scattering resonances in ozone are carried out for a broad range of rotational excitations. The accurate potential energy surface of Dawes is adopted, and a new efficient method for calculations of ro-vibrational energies, wave functions and resonance lifetimes is employed (which uses hyper-spherical coordinates, the sequential diagonalization/truncation approach, grid optimization and complex absorbing potential). A detailed analysis is carried out to characterize distributions of resonance energies and lifetimes, their rotational/vibrational content and their positions with respect to the centrifugal barrier. Emphasis is on the contribution of these resonances to the recombination process that forms ozone. It is found that major contributions come from localized resonances at energies near the top of the barrier. Delocalized resonances at higher energies should also be taken into account, while very narrow resonances at low energies (trapped far behind the centrifugal barrier) should be treated as bound states. The absolute value of the recombination rate coefficient, its pressure and temperature dependencies are obtained using the energy-transfer model developed in the earlier work. Good agreement with experimental data is obtained if one follows the suggestion of Troe, who argued that the energy transfer mechanism of recombination is responsible only for 55% of the recombination rate (with the remaining 45% coming from the competing chaperon mechanism).
NASA Astrophysics Data System (ADS)
Papadimitriou, V.; Burkholder, J. B.
2015-12-01
Short-lived hydrofluoroolefins (HFOs) are proposed replacement compounds for ozone depleting substances (ODSs) and longer-lived greenhouse gases that are used in various industrial and technological applications. HFOs are not ODSs and the presence of the highly reactive unsaturated bond toward the common atmospheric oxidants (OH, Cl, NO3 and O3) is expected to lead to shorter tropospheric lifetimes relative to those of saturated hydrofluorocarbons. The shorter lifetime reduces their direct contribution to Climate Change. In this study, rate coefficients for the gas-phase reaction of the OH radical with (CF3)2CFCH=CHF (HFO-1438ezy), between 214 and 380 K and 50-450 Torr (He, N2), were measured using pulsed laser photolysis-laser induced fluorescence (PLP/LIF) and relative rate methods. No pressure dependence was observed within this measurement range. The reaction displays a non-Arrhenius temperature dependence over this temperature range with a slightly positive temperature dependence above 280 K and near temperature independence at lower temperatures. The infrared spectrum of HFO-1438ezy was measured as part of this work. On the basis of the present measurements, the atmospheric lifetime of HFO-1438ezy as well as its radiative efficiency, global warming potential and photochemical ozone creation potential were estimated.
Gaspar, A; Strodiot, L; Thonart, P
1998-01-01
To improve xylanase productivity from Penicillium canescens 10-10c culture, an optimization of oxygen supply is required. Because the strain is sensitive to shear forces, leading to lower xylanase productivity as to morphological alteration, vigorous mixing is not desired. The influence of turbine design, agitation speed, and air flow rate on K1a (global mass transfer coefficient, h(-1)) and enzyme production is discussed. K1a values increased with agitation speed and air flow rate, whatever the impeller, in our assay conditions. Agitation had more influence on K1a values than air flow, when a disk-mounted blade's impeller (DT) is used; an opposite result was obtained with a hub-mounted pitched blade's impeller (PBT). Xylanase production appeared as a function of specific power (W/m3), and an optimum was found in 20 and 100 L STRs fitted with DT impellers. On the other hand, the use of a hub-mounted pitched blade impeller (PBT8), instead of a disk-mounted blade impeller (DT4), reduced the lag time of hemicellulase production and increased xylanase productivity 1.3-fold. PMID:18576019
Dieho, K; Dijkstra, J; Schonewille, J T; Bannink, A
2016-07-01
The aim of the present experiment was to study changes in volatile fatty acid (VFA) production using an isotope dilution technique, and changes in VFA fractional absorption rate (kaVFA) using a buffer incubation technique (BIT) during the dry period and early lactation, as affected by the postpartum (pp) rate of increase of concentrate allowance. The current results are complementary to previously reported changes on rumen papillae morphology from the same experiment. From 50 d antepartum to 80 d pp, VFA production rate was measured 5 times and kaVFA was measured 10 times in 12 rumen-cannulated Holstein Friesian cows. Cows had free access to a mixed ration, consisting of grass and corn silage, soybean meal, and (dry period only) chopped straw. Treatment consisted of either a rapid (RAP; 1.0 kg of DM/d; n=6) or gradual (GRAD; 0.25 kg of DM/d; n=6) increase of concentrate allowance (up to 10.9 kg of DM/d), starting at 4 d pp, aimed at creating a contrast in rumen-fermentable organic matter intake. For the BIT, rumen contents were evacuated, the rumen washed, and a standardized buffer fluid introduced [120 mM VFA, 60% acetic (Ac), 25% propionic (Pr), and 15% butyric (Bu) acid; pH 5.9 and Co-EDTA as fluid passage marker]. For the isotope dilution technique, a pulse-dose of (13)C-labeled Ac, Pr, and Bu and Co-EDTA as fluid passage marker was infused. The rate of total VFA production was similar between treatments and was 2 times higher during the lactation (114 mol/d) than the dry period (53 mol/d). Although papillae surface area at 16, 30, and 44 d pp was greater in RAP than GRAD, Bu and Ac production at these days did not differ between RAP and GRAD, whereas at 16 d pp RAP produced more Pr than GRAD. These results provide little support for the particular proliferative effects of Bu on papillae surface area. Similar to developments in papillae surface area in the dry period and early lactation, the kaVFA (per hour), measured using the BIT, decreased from 0.45 (Ac), 0
Monitoring of MOCVD reactants by UV absorption
Baucom, K.C.; Killeen, K.P.; Moffat, H.K.
1995-07-01
In this paper, we describe how UV absorption measurements can be used to measure the flow rates of metal organic chemical vapor deposition (MOCVD) reactants. This method utilizes the calculation of UV extinction coefficients by measuring the total pressure and absorbance in the neat reactant system. The development of this quantitative reactant flow rate monitor allows for the direct measurement of the efficiency of a reactant bubbler. We demonstrate bubbler efficiency results for TMGa, and then explain some discrepancies found in the TMAl system due to the monomer to dimer equilibrium. Also, the UV absorption spectra of metal organic and hydride MOCVD reactants over the wavelength range 185 to 400 nm are reported.
NASA Astrophysics Data System (ADS)
Laporta, V.; Celiberto, R.; Wadehra, J. M.
2012-10-01
Electron-impact vibrational-excitation cross sections, involving rovibrationally excited N2 and NO molecules, are calculated for collisions occurring through the nitrogen resonant electronic state N_2^-(X\\,^2\\!\\Pi_g) , and the three resonant states of nitric oxide NO-(3Σ-, 1Δ, 1Σ+). Complete sets of cross sections have been obtained for all possible transitions involving 68 vibrational levels of N_2(X\\,{}^1\\!\\Sigma_g^+) and 55 levels of NO(X 2Π), for incident electron energy between 0.1 and 10 eV. In order to study the rotational motion in the resonant processes, cross sections have also been computed for rotationally elastic transitions characterized by the rotational quantum number J running from 0 to 150. The calculations are performed within the framework of the local complex potential model, using potential energies and widths optimized to reproduce the experimental cross sections available in the literature. Rate coefficients are calculated for transitions between all vibrational levels by assuming a Maxwellian electron energy distribution function in the temperature range from 0.1 to 100 eV. All numerical data are available at http://users.ba.cnr.it/imip/cscpal38/phys4entry/database.html
NASA Astrophysics Data System (ADS)
Feofilov, A. G.; Kutepov, A. A.; She, C.-Y.; Smith, A. K.; Pesnell, W. D.; Goldberg, R. A.
2011-12-01
Among the processes governing the energy balance in the mesosphere and lower thermosphere (MLT), the quenching of CO2(ν2)-O vibrational levels by collisions with O atoms plays an important role. However, there is a factor of 3-4 discrepancy between various measurements of the CO2-O quenching rate coefficient, kVT. We retrieve kVT in the altitude region 80-110 km from coincident SABER/TIMED and Fort Collins sodium lidar observations by minimizing the difference between measured and simulated broadband limb 15 μm radiances. The retrieved kVT varies from about 5 × 10-12 cm3 s-1 at 87 km to about 7 × 10-12 cm3 s-1 at 104 km. A detailed consideration of retrieval errors and uncertainties indicates deficiency in current understanding the non-LTE formation mechanism of atmospheric 15 μm radiances. An updated mechanism of CO2-O collisional interactions is suggested.
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. PMID:21302546
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.
Debreczeny, M.P.; Sauer, K. Univ. of California, Berkeley, CA ); Zhou, J.; Bryant, D.A. )
1993-09-23
At both room temperature (RT) and 77 K, the absorption and fluorescence spectra of the three individual chromophore types ([alpha][sub 84], [beta][sub 84], and [beta][sub 155]) found in monomeric C-phycocyanin ([alpha][sup PC][beta][sup PC]), isolated from the cyanobacterium Synechococcus sp. PCC 7002, were resolved along with the rates of energy transfer between the chromophores. The cpcB/C155S mutant, whose PC is missing the [beta][sub 155] chromophore, was useful in effecting this resolution. At RT, the single broad peak in the visible region of the absorption spectrum of ([alpha][sup PC][beta][sup PC]) was resolved into its three-component spectra by comparing the steady-state absorption spectra of the isolated wild-type [alpha] subunit of PC ([alpha][sup PC]) (containing only the [alpha][sub 84] chromophore) with those of the monomeric PCs isolated from the mutant strain ([alpha][sup PC][beta]*) and the wild-type strain ([alpha][sup PC][beta][sup PC]). At 77 K, the visible region of the absorption spectrum of ([alpha][sup PC][beta][sup PC]) splits into two peaks. This partial resolution at 77 K of the chromophore spectra of ([alpha][sup PC][beta][sup PC]) when compared with the 77 K absorption spectra of [alpha][sup PC], [beta][sup PC], and ([alpha][sup PC][beta]*) provided a confirmation of our RT assignments of the chromophore absorption spectra. 38 refs., 9 figs., 6 tabs.
Chono, Sumio; Takeda, Eri; Seki, Toshinobu; Morimoto, Kazuhiro
2008-01-22
The effect of grinding with gelatin on the dissolution behavior and gastrointestinal absorption of a poorly water-soluble drug was evaluated using the antiasthmatic agent, pranlukast, as a model poorly water-soluble drug. A ground pranlukast-gelatin mixture was prepared by grinding equal quantities of pranlukast and gelatin. In the dissolution testing, the dissolution rate of pranlukast in the suspension of the ground pranlukast-gelatin mixture under conditions of pH 3.0, 5.0 and 7.0 was markedly faster than that in the suspension of pranlukast. According to powder X-ray diffractometry (PXRD) and differential scanning calorimetry (DSC) analysis, the enhanced dissolution rate of pranlukast produced by grinding with gelatin was caused by changing the crystalline state of pranlukast into an amorphous state. In an animal experiment, the bioavailability of pranlukast following oral administration of the ground pranlukast-gelatin mixture to rats was threefold greater than that following administration of pranlukast. In the in vitro permeation experiment, the amount of permeated pranlukast through Caco-2 cell monolayers after application of the ground pranlukast-gelatin mixture was greater than that after application of pranlukast. These results suggest that the enhancement of the gastrointestinal absorption of pranlukast by grinding with gelatin is due to enhancement of the dissolution rate. Grinding a poorly water-soluble drug with gelatin is a useful method of enhancing its gastrointestinal absorption.
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.
Comprehensive analysis of the optical Kerr coefficient of graphene
Soh, Daniel B. S.; Hamerly, Ryan; Mabuchi, Hideo
2016-08-25
We present a comprehensive analysis of the nonlinear optical Kerr effect in graphene. We directly solve the S-matrix element to calculate the absorption rate, utilizing the Volkov-Keldysh-type crystal wave functions. We then convert to the nonlinear refractive index coefficients through the Kramers-Kronig relation. In this formalism, the source of Kerr nonlinearity is the interplay of optical fields that cooperatively drive the transition from valence to conduction band. This formalism makes it possible to identify and compute the rates of distinct nonlinear processes that contribute to the Kerr nonlinear refractive index coefficient. The four identified mechanisms are two-photon absorption, Raman transition,more » self-coupling, and quadratic ac Stark effect. As a result, we present a comparison of our theory with recent experimental and theoretical results.« less
Comprehensive analysis of the optical Kerr coefficient of graphene
NASA Astrophysics Data System (ADS)
Soh, Daniel B. S.; Hamerly, Ryan; Mabuchi, Hideo
2016-08-01
We present a comprehensive analysis of the nonlinear optical Kerr effect in graphene. We directly solve the S -matrix element to calculate the absorption rate, utilizing the Volkov-Keldysh-type crystal wave functions. We then convert to the nonlinear refractive index coefficients through the Kramers-Kronig relation. In this formalism, the source of Kerr nonlinearity is the interplay of optical fields that cooperatively drive the transition from valence to conduction band. This formalism makes it possible to identify and compute the rates of distinct nonlinear processes that contribute to the Kerr nonlinear refractive index coefficient. The four identified mechanisms are two-photon absorption, Raman transition, self-coupling, and quadratic ac Stark effect. We also present a comparison of our theory with recent experimental and theoretical results.
Light absorption properties and absorption budget of Southeast Pacific waters
NASA Astrophysics Data System (ADS)
Bricaud, Annick; Babin, Marcel; Claustre, Hervé; Ras, JoséPhine; TièChe, Fanny
2010-08-01
Absorption coefficients of phytoplankton, nonalgal particles (NAPs), and colored dissolved organic matter (CDOM), and their relative contributions to total light absorption, are essential variables for bio-optical and biogeochemical models. However, their actual variations in the open ocean remain poorly documented, particularly for clear waters because of the difficulty in measuring very low absorption coefficients. The Biogeochemistry and Optics South Pacific Experiment (BIOSOPE) cruise investigated a large range of oceanic regimes, from mesotrophic waters around the Marquesas Islands to hyperoligotrophic waters in the subtropical gyre and eutrophic waters in the upwelling area off Chile. The spectral absorption coefficients of phytoplankton and NAPs were determined using the filter technique, while the CDOM absorption coefficients were measured using a 2 m capillary waveguide. Over the whole transect, the absorption coefficients of both dissolved and particulate components covered approximately two orders of magnitude; in the gyre, they were among the lowest ever reported for open ocean waters. In the oligotrophic and mesotrophic waters, absorption coefficients of phytoplankton and NAPs were notably lower than those measured in other oceanic areas with similar chlorophyll contents, indicating some deviation from the standard chlorophyll-absorption relationships. The contribution of absorption by NAPs to total particulate absorption showed large vertical and horizontal variations. CDOM absorption coefficients covaried with algal biomass, albeit with a high scatter. The spectral slopes of both NAP and CDOM absorption revealed structured spatial variability in relation with the trophic conditions. The relative contributions of each component to total nonwater absorption were (at a given wavelength) weakly variable over the transect, at least within the euphotic layer.
Blache, Ulrich; Jakob, Torsten; Su, Wanwen; Wilhelm, Christian
2011-08-01
Photosynthesis-irradiance (P-E)-curves describe the photosynthetic performance of autotrophic organisms. From these P-E-curves the photosynthetic parameters α-slope, P(max), and E(k) can be deduced which are often used to characterize and to compare different organisms or organisms in acclimation to different environmental conditions. Particularly, for in situ-measurements of P-E curves of phytoplankton the analysis of variable chlorophyll fluorescence proved its potential as a sensitive and rapid method. By using Chlorella vulgaris (Trebouxiophyceae), Nannochloropsis salina (Eustigmatophyceae), Skeletonema costatum and Cyclotella meneghiniana (Bacillariophyceae), the present study investigated the influence of cellular bio-optical properties on the correlation of the photosynthetic parameters derived from fluorescence-based P-E-curves with photosynthetic parameters obtained from the measurement of oxygen evolution. It is demonstrated that small planktonic algae show a wide range of cellular absorptivity which was subject to species-specifity, growth stage and environmental conditions, e.g. nutrient limitation. This variability in bio-optical properties resulted in a great deviation of relative electron transport rates (rETRs) from oxygen-based photosynthesis rates. Thus, the photosynthetic parameters α-slope and P(max) derived from rETRs strongly depend on the specific cellular absorptivity and cannot be used to compare the photosynthetic performance of cells with different optical properties. However, it was shown that E(k) is independent of cellular absorptivity and could be used to compare samples with unknown optical properties. PMID:21571541
Blache, Ulrich; Jakob, Torsten; Su, Wanwen; Wilhelm, Christian
2011-08-01
Photosynthesis-irradiance (P-E)-curves describe the photosynthetic performance of autotrophic organisms. From these P-E-curves the photosynthetic parameters α-slope, P(max), and E(k) can be deduced which are often used to characterize and to compare different organisms or organisms in acclimation to different environmental conditions. Particularly, for in situ-measurements of P-E curves of phytoplankton the analysis of variable chlorophyll fluorescence proved its potential as a sensitive and rapid method. By using Chlorella vulgaris (Trebouxiophyceae), Nannochloropsis salina (Eustigmatophyceae), Skeletonema costatum and Cyclotella meneghiniana (Bacillariophyceae), the present study investigated the influence of cellular bio-optical properties on the correlation of the photosynthetic parameters derived from fluorescence-based P-E-curves with photosynthetic parameters obtained from the measurement of oxygen evolution. It is demonstrated that small planktonic algae show a wide range of cellular absorptivity which was subject to species-specifity, growth stage and environmental conditions, e.g. nutrient limitation. This variability in bio-optical properties resulted in a great deviation of relative electron transport rates (rETRs) from oxygen-based photosynthesis rates. Thus, the photosynthetic parameters α-slope and P(max) derived from rETRs strongly depend on the specific cellular absorptivity and cannot be used to compare the photosynthetic performance of cells with different optical properties. However, it was shown that E(k) is independent of cellular absorptivity and could be used to compare samples with unknown optical properties.
Acoustic Absorption Characteristics of People.
ERIC Educational Resources Information Center
Kingsbury, H. F.; Wallace, W. J.
1968-01-01
The acoustic absorption characteristics of informally dressed college students in typical classroom seating are shown to differ substantially from data for formally dressed audiences in upholstered seating. Absorption data, expressed as sabins per person or absorption coefficient per square foot, shows that there is considerable variation between…