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Sample records for water absorption coefficient

  1. 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.

  2. Absorption coefficient instrument for turbid natural waters.

    PubMed

    Friedman, E; Poole, L; Cherdak, A; Houghton, W

    1980-05-15

    An instrument has been developed that directly measures the multispectral absorption coefficient of turbid natural water. The design incorporates methods for compensation of variation in the internal light source intensity, correction of the spectrally dependent nature of the optical elements, and correction for variation in background light level. When used in conjunction with a spectrally matched total attenuation instrument, the spectrally dependent scattering coefficient can also be derived. Systematic errors associated with multiple scattering have been estimated using Monte Carlo techniques.

  3. Absorption coefficient instrument for turbid natural waters

    NASA Astrophysics Data System (ADS)

    Friedman, E.; Cherdak, A.; Poole, L.; Houghton, W.

    1980-05-01

    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.

  4. 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.

  5. 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.

  6. Parameterization of the Mie Extinction and Absorption Coefficients for Water Clouds.

    NASA Astrophysics Data System (ADS)

    Mitchell, David L.

    2000-05-01

    It was found that the anomalous diffraction approximation (ADA) could be made to approximate Mie theory for absorption and extinction in water clouds by parameterizing the missing physics: 1) internal reflection/refraction, 2) photon tunneling, and 3) edge diffraction. Tunneling here refers to processes by which tangential or grazing photons beyond the physical cross section of a spherical particle may be absorbed. Contributions of the above processes to extinction and/or absorption were approximated in terms of particle size, index of refraction, and wavelength. It was found that tunneling can explain most of the difference between ADA and Mie theory for water clouds in the thermal IR.The modified ADA yielded analytical expressions for the absorption and extinction efficiencies, Qabs and Qext, which were integrated over a gamma size distribution to yield expressions for the absorption and extinction coefficients, abs and ext. These coefficients were expressed in terms of the three gamma distribution parameters, which were related to measured properties of the size distribution: liquid water content, mean, and mass-median diameter. Errors relative to Mie theory for abs and ext were generally 10% for the effective radius range in water clouds of 5-30 m, for any wavelength in the solar or terrestrial spectrum. For broadband emissivities and absorptivities regarding terrestrial and solar radiation, the errors were less than 1.2% and 4%, respectively. The modified ADA dramatically reduces computation times relative to Mie theory while yielding reasonably accurate results.

  7. Parameterization of the Mie extinction and absorption coefficients for water clouds

    SciTech Connect

    Mitchell, D.L.

    2000-05-01

    It was found that the anomalous diffraction approximation (ADA) could be made to approximate Mie theory for absorption and extinction in water clouds by parameterizing the missing physics: (1) internal reflection/refraction, (2) photon tunneling, and (3) edge diffraction. Tunneling here refers to processes by which tangential or grazing photons beyond the physical cross section of a spherical particle may be absorbed. Contributions of the above processes to extinction and/or absorption were approximated in terms of particle size, index of refraction, and wavelength. It was found that tunneling can explain most of the difference between ADA and Mie theory for water clouds in the thermal IR. The modified ADA yielded analytical expressions for the absorption and extinction efficiencies, Q{sub abs} and Q{sub ext}, which were integrated over a gamma size distribution to yield expressions for the absorption and extinction coefficients, {beta}{sub abs} and {beta}{sub ext}. These coefficients were expressed in terms of the three gamma distribution parameters, which were related to measured properties of the size distribution: liquid water content, mean, and mass-median diameter. Errors relative to Mie theory for {beta}{sub abs} and {beta}{sub ext} were generally {le}10% for the effective radius range in water clouds of 5--30 {micro}m, for any wavelength in the solar or terrestrial spectrum. For broadband emissivities and absorptivities regarding terrestrial and solar radiation, the errors were less than 1.2% and 4%, respectively. The modified ADA dramatically reduces computation times relative to Mie theory while yielding reasonably accurate results.

  8. Water in the Earth's Mantle: Mineral-specific IR Absorption Coefficients and Radiative Thermal Conductivities

    NASA Astrophysics Data System (ADS)

    Thomas, S. M.

    2015-12-01

    Minor and trace element chemistry, phase relations, rheology, thermal structure and the role of volatiles and their abundance in the deep Earth mantle are still far from fully explored, but fundamental to understanding the processes involved in Earth formation and evolution. Theory and high pressure experiments imply a significant water storage capacity of nominally anhydrous minerals, such as majoritic garnet, olivine, wadsleyite and ringwoodite, composing the Earth's upper mantle and transition zone to a depth of 660 km. Studying the effect of water incorporation on chemical and physical mineral properties is of importance, because the presence of trace amounts of water, incorporated as OH through charge-coupled chemical substitutions into such nominally anhydrous high-pressure silicates, notably influences phase relations, melting behavior, conductivity, elasticity, viscosity and rheology. Knowledge of absolute water contents in nominally anhydrous minerals is essential for modeling the Earth's interior water cycle. One of the most common and sensitive tools for water quantification is IR spectroscopy for which mineral-specific absorption coefficients are required. Such calibration constants can be derived from hydrogen concentrations determined by independent techniques, such as secondary ion mass spectrometry, Raman spectroscopy or proton-proton(pp)-scattering. Here, analytical advances and mineral-specific IR absorption coefficients for the quantification of H2O in major phases of the Earth's mantle will be discussed. Furthermore, new data from optical absorption measurements in resistively heated diamond-anvil cells at high pressures and temperatures up to 1000 K will be presented. Experiments were performed on synthetic single-crystals of olivine, ringwoodite, majoritic garnet, and Al-bearing phase D with varying iron, aluminum and OH contents to calculate radiative thermal conductivities and study their contribution to heat transfer in the Earth's interior

  9. Diffusion Coefficients of Water and Leachables in Methacrylate-based Crosslinked Polymers using Absorption Experiments

    PubMed Central

    Parthasarathy, Ranganathan; Misra, Anil; Park, Jonggu; Ye, Qiang; Spencer, Paulette

    2012-01-01

    The diffusion of water into dentin adhesive polymers and leaching of unpolymerized monomer from the adhesive are linked to their mechanical softening and hydrolytic degradation. Therefore, diffusion coefficient data are critical for the mechanical design of these polymeric adhesives. In this study, diffusion coefficients of water and leachables were obtained for sixteen methacrylate-based crosslinked polymers using absorption experiments. The experimental mass change data was interpreted using numerical solution of the two-dimensional diffusion equations. The calculated diffusion coefficients varied from 1.05 × 10−8 cm2/sec (co-monomer TMTMA) to 3.15 × 10−8 cm2/sec (co-monomer T4EGDMA). Correlation of the diffusion coefficients with crosslink density and hydrophilicity showed an inverse trend (R2 = 0.41). The correlation of diffusion coefficient with crosslink density and hydrophilicity are closer for molecules differing by simple repeat units (R2 = 0.95). These differences in the trends reveal mechanisms of interaction of the diffusing water with the polymer structure. PMID:22430592

  10. 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.

  11. Remote-Sensing Technique for Determination of the Volume Absorption Coefficient of Turbid Water

    NASA Astrophysics Data System (ADS)

    Sydor, Michael; Arnone, Robert A.; Gould, Richard W., Jr.; Terrie, Gregory E.; Ladner, Sherwin D.; Wood, Christoper G.

    1998-07-01

    We use remote-sensing reflectance from particulate R rs to determine the volume absorption coefficient a of turbid water in the 400 700-nm spectral region. The calculated and measured values of a ( ) show good agreement for 0 . 5 a 10 (m 1 ). To determine R rs from a particulate, we needed to make corrections for remote-sensing reflectance owing to surface roughness S rs . We determined the average spectral distribution of S rs from the difference in total remote-sensing reflectance measured with and without polarization. The spectral shape of S rs showed an excellent fit to theoretical formulas for glare based on Rayleigh and aerosol scattering from the atmosphere.

  12. IR Absorption Coefficients for the Quantification of Water in Hydrous Ringwoodite

    NASA Astrophysics Data System (ADS)

    Thomas, S.; Jacobsen, S. D.; Bina, C. R.; Smyth, J. R.; Frost, D. J.

    2009-12-01

    Raman spectroscopy, combined with the ‘Comparator technique’ has been developed to determine water contents ranging from a few wt ppm to wt% in glasses and nominally anhydrous minerals including garnets, olivine, and SiO2 polymorphs (Thomas et al. 2009). The routine is one promising example of quantification tools to determine mineral specific molar absorption coefficients (ɛ) for IR spectroscopy. Mineral specific absorption coefficients are required because general IR calibrations do not necessarily apply to minerals with water incorporated as hydroxyl point defects. Here we utilize the ‘Comparator technique’ to provide ɛ-values for a set of synthetic Fe-free and Fe-bearing (Fo90) ringwoodites, as well as for γ-Mg2GeO4. Ringwoodite is considered one of the major phases of the Earth’s lower transition zone (520-660 km depth) and the knowledge of its absolute water storage capacity is essential for modeling the Earth’s deep water cycle. Samples were synthesized at variable P-T conditions in a multi-anvil press and cover a range of OH contents. Single-crystals were characterized using X-ray diffraction and IR spectroscopy. Mineral specific IR absorption coefficients were calculated from independently determined water contents from Raman spectroscopy. Unpolarized IR spectra of Mg-ringwoodite show broad absorption features in the OH region with band maxima at ~2350, 2538, 3127, 3172, 3598 and 3688 cm-1. In the spectra of Fe-bearing ringwoodite and γ-Mg2GeO4 the maxima of the main OH band are shifted to 3172 cm-1 and 3207 cm-1, respectively. For Mg-ringwoodite with the mean wavenumber (area-weighted average of the peak position) of 3109 cm-1 an ɛ-value of 170000 ± 51000 L cm-2 / molH2O was determined. For a Fo90 sample with the mean wavenumber of 3132 cm-1 the value was calculated to be 123000 ± 37000 L cm-2 / molH2O. The latter two values are in good agreement with the data from the linear calibration of ~159000 L cm-2 / molH2O and ~153000 L cm-2

  13. Specific absorption and backscatter coefficient signatures in southeastern Atlantic coastal waters

    NASA Astrophysics Data System (ADS)

    Bostater, Charles R., Jr.

    1998-12-01

    Measurements of natural water samples in the field and laboratory of hyperspectral signatures of total absorption and reflectance were obtained using long pathlength absorption systems (50 cm pathlength). Water was sampled in Indian River Lagoon, Banana River and Port Canaveral, Florida. Stations were also occupied in near coastal waters out to the edge of the Gulf Stream in the vicinity of Kennedy Space Center, Florida and estuarine waters along Port Royal Sound and along the Beaufort River tidal area in South Carolina. The measurements were utilized to calculate natural water specific absorption, total backscatter and specific backscatter optical signatures. The resulting optical cross section signatures suggest different models are needed for the different water types and that the common linear model may only appropriate for coastal and oceanic water types. Mean particle size estimates based on the optical cross section, suggest as expected, that particle size of oceanic particles are smaller than more turbid water types. The data discussed and presented are necessary for remote sensing applications of sensors as well as for development and inversion of remote sensing algorithms.

  14. Quantification of the dynamic changes in the absorption coefficient of liquid water at erbium:YAG and carbon dioxide laser wavelengths

    NASA Astrophysics Data System (ADS)

    Shori, Ramesh K.

    The interaction of high-intensity, short-pulsed radiation with liquid water results in dynamic changes in the optical absorption coefficient of water. These changes and their implications, as related to mid-infrared laser ablation of tissue, were not investigated until the late 1980's and early 1990's. Classical models of absorption and heating do not explain the dynamic, non-linear changes in water. The objective of the present work was to quantify the dynamic changes in the absorption coefficient of liquid water as a function of incident energy at three clinically relevant infrared wavelengths (λ = 2.94, 9.6, 10.6 μm). To investigate the changes in the absorption spectrum of water in the 3-μm band, a stable, high-energy Q- switched Er:YAG laser emitting 2.94-μm radiation in a near-perfect TEMoo spatial beam profile was developed. Key to the development of this laser was careful attention to the gain medium, optical pump system, system optics, and the thermal system. The final system design was capable of emitting 110 mJ/pulse at of 2-4 Hz with a lamp lifetime exceeding 12 million pulses The laser was used in two sets of experiments in order to quantify the above changes. First, the laser was used to measure the velocity of the shock front produced by vaporizing a gelatin-based tissue phantom. The measured shock velocity was related to the optical energy absorbed by the tissue phantom and the absorption coefficient, based on the pressure relationships derived using a 1-D piston model for an expanding plume. The shock front velocity measurements indicate that the absorption coefficient is constant for incident fluences less than 20 J/cm2, a result consistent with transmission data. For higher fluences, the data indicate a decrease in the absorption coefficient, which is again consistent with transmission data. Quantification of the absorption coefficient can, however, not be made without violating assumptions that form the basis for the 1-D piston model. Second

  15. Correlation between octanol/water and liposome/water distribution coefficients and drug absorption of a set of pharmacologically active compounds.

    PubMed

    Esteves, Freddy; Moutinho, Carla; Matos, Carla

    2013-06-01

    Absorption and consequent therapeutic action are key issues in the development of new drugs by the pharmaceutical industry. In this sense, different models can be used to simulate biological membranes to predict the absorption of a drug. This work compared the octanol/water and the liposome/water models. The parameters used to relate the two models were the distribution coefficients between liposomes and water and octanol and water and the fraction of drug orally absorbed. For this study, 66 drugs were collected from literature sources and divided into four groups according to charge and ionization degree: neutral; positively charged; negatively charged; and partially ionized/zwitterionic. The results show a satisfactory linear correlation between the octanol and liposome systems for the neutral (R²= 0.9324) and partially ionized compounds (R²= 0.9367), contrary to the positive (R²= 0.4684) and negatively charged compounds (R²= 0.1487). In the case of neutral drugs, results were similar in both models because of the high fraction orally absorbed. However, for the charged drugs (positively, negatively, and partially ionized/zwitterionic), the liposomal model has a more-appropriate correlation with absorption than the octanol model. These results show that the neutral compounds only interact with membranes through hydrophobic bonds, whereas charged drugs favor electrostatic interactions established with the liposomes. With this work, we concluded that liposomes may be a more-appropriate biomembrane model than octanol for charged compounds.

  16. Absorption Coefficient of Alkaline Earth Halides.

    DTIC Science & Technology

    1980-04-01

    levels . As a natural consequence, the magnitude of the absorption coefficient is the key parameter in selecting laser window materials. Over the past...of as can be achieved through improved crystal growing techniques and surface polishing. 2.5. Urbach’s Rule A central question for the development of...high absorption levels , inaccuracies progressively increasing with decreasing absorption level , a natural consequence of decreasing in instrumental

  17. A Multi-Band Analytical Algorithm for Deriving Absorption and Backscattering Coefficients from Remote-Sensing Reflectance of Optically Deep Waters

    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.

  18. Prediction of absorption coefficients by pulsed laser induced photoacoustic measurements.

    PubMed

    Priya, Mallika; Satish Rao, B S; Ray, Satadru; Mahato, K K

    2014-06-05

    In the current study, a pulsed laser induced photoacoustic spectroscopy setup was designed and developed, aiming its application in clinical diagnostics. The setup was optimized with carbon black samples in water and with various tryptophan concentrations at 281nm excitations. The sensitivity of the setup was estimated by determining minimum detectable concentration of tryptophan in water at the same excitation, and was found to be 0.035mM. The photoacoustic experiments were also performed with various tryptophan concentrations at 281nm excitation for predicting optical absorption coefficients in them and for comparing the outcomes with the spectrophotometrically-determined absorption coefficients for the same samples. Absorption coefficients for a few serum samples, obtained from some healthy female volunteers, were also determined through photoacoustic and spectrophotometric measurements at the same excitations, which showed good agreement between them, indicating its clinical implications.

  19. Water absorption lines, 931-961 nm - Selected intensities, N2-collision-broadening coefficients, self-broadening coefficients, and pressure shifts in air

    NASA Technical Reports Server (NTRS)

    Giver, L. P.; Gentry, B.; Schwemmer, G.; Wilkerson, T. D.

    1982-01-01

    Intensities were measured for 97 lines of H2O vapor between 932 and 961 nm. The lines were selected for their potential usefulness for remote laser measurements of H2O vapor in the earth's atmosphere. The spectra were obtained with several different H2O vapor abundances and N2 broadening gas pressures; the spectral resolution was 0.046/cm FWHM. Measured H2O line intensities range from 7 x 10 to the -25th to 7 x 10 to the -22nd/cm per (molecules/sq cm). H2O self-broadening coefficients were measured for 13 of these strongest lines; the mean value was 0.5/cm per atm. N2-collision-broadening coefficients were measured for 73 lines, and the average was 0.11 cm per atm HWHM. Pressure shifts in air were determined for a sample of six lines between 948 and 950 nm; these lines shift to lower frequency by an amount comparable to 0.1 of the collision-broadened widths measured in air or N2. The measured intensities of many lines of 300-000 band are much larger than expected from prior computations, in some cases by over an order of magnitude. Coriolis interactions with the stronger 201-000 band appear to be the primary cause of the enhancement of these line intensities.

  20. 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.

  1. Statistical Models for Sediment/Detritus and Dissolved Absorption Coefficients in Coastal Waters of the Northern Gulf of Mexico

    DTIC Science & Technology

    2008-03-13

    al., 2003), as well as a new absorbing aerosol correction zone of Louisiana contains -41% of the nation’s coastal wetlands, (Ransibrahmanakul and...component (Lee et al., 2002; in hot methanol (to remove phytoplankton pigments ) and Maritorena et al.. 2002). An expanding data set of optical...is estimated weighted transform which blends to the global OC2v2 chlorophyll from water-leaving radiance at 670 nm. An absorbing aerosol algorithm in

  2. Determination of optical absorption coefficient with focusing photoacoustic imaging.

    PubMed

    Li, Zhifang; Li, Hui; Zeng, Zhiping; Xie, Wenming; Chen, Wei R

    2012-06-01

    Absorption coefficient of biological tissue is an important factor for photothermal therapy and photoacoustic imaging. However, its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique to quantify the target optical absorption coefficient. It utilizes the ratio of the amplitude of the peak signal from the top boundary of the target to that from the bottom boundary based on wavelet transform. This method is self-calibrating. Factors, such as absolute optical fluence, ultrasound parameters, and Grüneisen parameter, can be canceled by dividing the amplitudes of the two peaks. To demonstrate this method, we quantified the optical absorption coefficient of a target with various concentrations of an absorbing dye. This method is particularly useful to provide accurate absorption coefficient for predicting the outcomes of photothermal interaction for cancer treatment with absorption enhancement.

  3. Measurement of Acoustic Attenuation and Absorption Coefficients using Thermometry

    NASA Astrophysics Data System (ADS)

    Morris, Hugh; Rivens, Ian; Shaw, Adam; ter Haar, Gail

    2007-05-01

    Accurate knowledge of both the attenuation and the absorption coefficient of tissue are required when planning an optimal high intensity focused ultrasound treatment. A novel technique for simple measurement of this parameters has been developed in which a thin-film thermocouple (TFT) is placed between two layers of tissue of different thicknesses. The sample can be rotated about an axis through the junction of the TFT so that it can be insonated from either side leaving the tissue adjacent to the junction unchanged, but changing the overlying thickness. The attenuation and absorption coefficients can be calculated from the heating curves measured in the two orientations. Experiments have been carried out in both tissue mimicking material (TMM) and in ex vivo liver tissue. Weakly focused transducers, resonant at 1.05 MHz, 2.4 MHz and 3.55 MHz were used at free-field spatial peak intensities of 9-14 W/cm2. The temperature rise was measured as a function of time using a TFT. These thermocouples are not subject to the viscous heating artefact that is common to other thermocouple devices and so are advantageous for this purpose. Alignment was achieved with a 3D automated gantry system, which was controlled with specialised software. Timing and data acquisition were also controlled with this software. All experiments were carried out in degassed water. Results for TMM and degassed excised bovine liver are presented.

  4. Effect of applied mechanical stress on absorption coefficient of compounds

    SciTech Connect

    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.

  5. [Experimental determination of the absorption coefficients of biological tissues].

    PubMed

    Kovtun, A V; Kondrat'ev, V S; Terekhov, D V

    1980-01-01

    Procedure is presented for studying the coefficient of biological tissue absorption of radiation with the wavelength lambda = 1.06 mkm. The absorption coefficient is determined by the temperature values of biological tissue experimentally measured with thermopairs. The coherent radiation current falls on the surface of biological tissue. A mathematical model is formulated for biological tissue heating with radiation. Solution of Furier equation obtained by means of Green function is given. Using the relationship found, the energy absorbed by the biological tissue was calculated and the absorption coefficient of radiation with lambda - 1.06 mkm was determined. The results were analysed and the error of the obtained values of absorption coefficients of biological tissues under study were determined.

  6. 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.

  7. Absorption coefficient measurements of particle-laden filters using laser heating: Validation with nigrosin

    NASA Astrophysics Data System (ADS)

    Presser, Cary

    2012-05-01

    A laser-heating technique, referred as the laser-driven thermal reactor, was used in conjunction with laser transmissivity measurements to determine the absorption coefficient of particle-laden substrates (e.g., quartz-fiber filters). The novelty of this approach is that it analyzes a wide variety of specific samples (not just filtered samples) and overcomes measurement issues (e.g., absorption enhancement) associated with other filter-based particle absorption techniques. The absorption coefficient was determined for nigrosin-laden, quartz-fiber filters and the effect of the filter on the absorption measurements was estimated when compared to the isolated nigrosin results. The isolated nigrosin absorption coefficient compared favorably with Lorenz-Mie calculations for an idealized polydispersion of spherical particles (based on a measured nigronsin/de-ionized water suspension size distribution) dispersed throughout a volume equivalent to that of the nigrosin-laden filter. To validate the approach, the absorption coefficient of a nigrosin/de-ionized water suspension was in good agreement with results obtained from an ultraviolet/visible spectrometer. In addition, the estimated imaginary part of the refractive index from the Lorenz-Mie calculations compared well with literature values and was used to estimate the absorption coefficient of optically opaque packed nigrosin.

  8. NUMERICAL CALCULATION OF MAGNETOBREMSSTRAHLUNG EMISSION AND ABSORPTION COEFFICIENTS

    SciTech Connect

    Leung, Po Kin; Gammie, Charles F.; Noble, Scott C. E-mail: gammie@illinois.edu

    2011-08-10

    Magnetobremsstrahlung (MBS) emission and absorption play a role in many astronomical systems. We describe a general numerical scheme for evaluating MBS emission and absorption coefficients for both polarized and unpolarized light in a plasma with a general distribution function. Along the way we provide an accurate scheme for evaluating Bessel functions of high order. We use our scheme to evaluate the accuracy of earlier fitting formulae and approximations. We also provide an accurate fitting formula for mildly relativistic (kT/(m{sub e}c{sup 2}) {approx}> 0.5) thermal electron emission (and therefore absorption). Our scheme is too slow, at present, for direct use in radiative transfer calculations but will be useful for anyone seeking to fit emission or absorption coefficients in a particular regime.

  9. Analyzing Water's Optical Absorption

    NASA Technical Reports Server (NTRS)

    2002-01-01

    A cooperative agreement between World Precision Instruments (WPI), Inc., and Stennis Space Center has led the UltraPath(TM) device, which provides a more efficient method for analyzing the optical absorption of water samples at sea. UltraPath is a unique, high-performance absorbance spectrophotometer with user-selectable light path lengths. It is an ideal tool for any study requiring precise and highly sensitive spectroscopic determination of analytes, either in the laboratory or the field. As a low-cost, rugged, and portable system capable of high- sensitivity measurements in widely divergent waters, UltraPath will help scientists examine the role that coastal ocean environments play in the global carbon cycle. UltraPath(TM) is a trademark of World Precision Instruments, Inc. LWCC(TM) is a trademark of World Precision Instruments, Inc.

  10. Methane Absorption Coefficients for the Jovian Planets and Titan

    NASA Astrophysics Data System (ADS)

    Karkoschka, Erich; Tomasko, M. G.

    2009-09-01

    We combined 11 data sets of methane transmission measurements within 0.4-5.5 micrometer wavelength in order to better understand the variation of methane absorption with temperature and pressure for conditions in the atmospheres of the Jovian planets and Titan. Eight data sets are based on published laboratory measurements. Another two data sets come from two spectrometers onboard the Huygens probe that measured methane absorption inside Titan's atmosphere (Tomasko et al. 2008, PSS 56, 624). We present the data with a refined analysis. The last data set consists of Hubble Space Telescope images of Jupiter taken in 2005 and 2007 as Ganymede started to be occulted by Jupiter. Using Ganymede as a light source, we probed Jupiter's stratosphere with large methane pathlengths. Below 1000 nm wavelength, we find methane absorption coefficients generally similar to those by Karkoschka (1998, Icarus 133, 134). We added descriptions of temperature and pressure dependence, which are typically small in this wavelength range. Data in this wavelength range are consistent with each other, except between 882 and 902 nm wavelength where laboratory data predict larger absorptions in the Jovian atmospheres than observed. We present possible explanations. Above 1000 nm, our analysis of the Huygens data confirms methane absorption coefficients by Irwin et al. (2006, Icarus 181, 309) at their laboratory temperatures. Huygens data are consistent with Irwin's model of the pressure dependence of methane absorption. However, when large extrapolations were needed, such as from laboratory data above 200 K to Titan's temperatures near 80 K, Irwin's model of temperature dependence predicts absorption coefficients up to 100 times lower than measured by Huygens. We combined Irwin's and Huygens' data to obtain more reliable methane absorption coefficients for the temperatures in the atmospheres of the Jovian planets and Titan. This research was supported by NASA grants NAG5-12014 and NNX08AE74G.

  11. Vapor-Phase Infrared Absorptivity Coefficient of HN1

    DTIC Science & Technology

    2013-08-01

    infrared spectrometer GC gas chromatography HD sulfur mustard HeNe helium–neon (laser) HgCdTe mercury–cadmium–telluride detector HN1, HN2, HN3...coefficient of the compound. 15. SUBJECT TERMS Vapor phase Saturator cell Infrared (IR) HN1 Vapor pressure Nitrogen mustard Vesicant...9 1 VAPOR-PHASE INFRARED ABSORPTIVITY COEFFICIENT OF HN1 1. INTRODUCTION The nitrogen mustards (HN1, HN2, and HN3) are similar to

  12. Ozone absorption coefficients' role in Dobson instrument ozone measurement accuracy

    NASA Astrophysics Data System (ADS)

    Basher, R. E.

    1982-11-01

    The differences of 10% or more between the laboratory measurements of UV absorption coefficients by different investigators indicate accuracies that are quite inadequate for current needs in the measurement of atmospheric ozone. The standard band-integrated set of coefficients now used with the Dobson instrument are mutually consistent to about 2%, but their absolute accuracy is still in question. The accurate calculation of band-integrated coefficients must take account of their dependence on source spectral irradiance, atmospheric spectral transmittance, mean ozone temperature, and instrument spectral transmittance. A careful examination shows that Komhyr's (1980) case for an error of about +5% in the standard Dobson AD ozone estimation is subject to large uncertainties and certain lacks of independence. The obvious solution to this accuracy problem lies in better laboratory measurements of ozone absorption.

  13. Satellite retrieval of the absorption coefficient of phytoplankton phycoerythrin pigment: theory and feasibility status.

    PubMed

    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

  14. Impact of inhomogeneous optical scattering coefficient distribution on recovery of optical absorption coefficient maps using tomographic photoacoustic data.

    PubMed

    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.

  15. Field testing of sound absorption coefficients in a classroom

    NASA Astrophysics Data System (ADS)

    Pettyjohn, Steve

    2005-09-01

    Formal procedures for determining the sound absorption coefficients of materials installed in the field do not exist. However, the U.S. Air Force requested such tests to prove that the sound-absorbing material used in classrooms at Beale AFB in Marysville, CA, met the specified NRC of 0.80. They permitted the use of two layers of 0.5-in. fiberboard or 1-in.-thick fiberglass panels to meet the specified NRC rating. Post-construction tests showed reverberation times longer than expected. Unrealistic sound-absorption coefficients for room finish materials had to be used with the Sabine equation to achieve agreement between the measured and predicted reverberation time. By employing the Fitzroy equation and generally published absorption coefficients for ceiling tile, carpet, and fiberboard, the model provided excellent agreement with the measured reverberation times. The NRC of the fiberboard was computed to be 0.35, agreeing with published data. Since this did not meet project specifications, the Fitzroy model was used to learn the type and quantity of material needed to meet design goals. Follow-up tests showed good agreement between the predicted and measured reverberation times with material added, and project specifications were met. Results are also compared with the requirements of ANSI 12.60.

  16. Absorption Coefficients of Particulate Matter off the Southwest Coast of Europe: A Contribution to Validation of the MERIS Sensor

    NASA Astrophysics Data System (ADS)

    Goela, P.; Icely, J.; Cristina, S.; Newton, A.

    2010-12-01

    Variability of particulate absorption coefficients was studied off the south-west coast of Portugal, as part of a validation exercise for the Medium Resolution Image Spectrometer Sensor. Regular sampling campaigns occurred at three stations on a transect from inshore to offshore to compare fluctuations in these coefficients at the local scale. Transmittance-reflectance method with sodium hypochlorite bleaching was used to determine absorption coefficients for phytoplankton and non-algal particles. Photosynthetic pigment concentrations were determined by High Performance Liquid Chromatography. Results show that the absorption of light by particulate matter is almost totally dependent on the phytoplankton, with no significant contribution from non-algal particles, both in coastal and oceanic waters. Specific phytoplankton coefficients show significant fluctuations between seasons and stations, ranging from 0.012 to 0.038 at 678 nm. Particulate absorption is dominant over dissolved absorption. The variations in the coefficients of absorption are analysed as a function of species assemblages.

  17. Optimization of the acoustic absorption coefficients of certain functional absorbents

    NASA Technical Reports Server (NTRS)

    Pocsa, V.; Biborosch, L.; Veres, A.; Halpert, E.; Lorian, R.; Botos, T.

    1974-01-01

    The sound absorption coefficients of some functional absorbents (mineral wool plates) are determined by the reverberation chamber method. The influence of the angle of inclination of the sound absorbing material with respect to the surface to be treated is analyzed as well as the influence of the covering index, defined as the ratio of the designed area of a plate and the area of the treated surface belonging to another plate. As compared with the conventional method of applying sound-absorbing plates, the analyzed structures have a higher technological and economical efficiency. The optimum structure corresponds to an angle of inclination of 15 deg and a covering index of 0.8.

  18. 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.

  19. 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.

  20. High temperature measurement of water vapor absorption

    NASA Technical Reports Server (NTRS)

    Keefer, Dennis; Lewis, J. W. L.; Eskridge, Richard

    1985-01-01

    An investigation was undertaken to measure the absorption coefficient, at a wavelength of 10.6 microns, for mixtures of water vapor and a diluent gas at high temperature and pressure. The experimental concept was to create the desired conditions of temperature and pressure in a laser absorption wave, similar to that which would be created in a laser propulsion system. A simplified numerical model was developed to predict the characteristics of the absorption wave and to estimate the laser intensity threshold for initiation. A non-intrusive method for temperature measurement utilizing optical laser-beam deflection (OLD) and optical spark breakdown produced by an excimer laser, was thoroughly investigated and found suitable for the non-equilibrium conditions expected in the wave. Experiments were performed to verify the temperature measurement technique, to screen possible materials for surface initiation of the laser absorption wave and to attempt to initiate an absorption wave using the 1.5 kW carbon dioxide laser. The OLD technique was proven for air and for argon, but spark breakdown could not be produced in helium. It was not possible to initiate a laser absorption wave in mixtures of water and helium or water and argon using the 1.5 kW laser, a result which was consistent with the model prediction.

  1. 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

  2. Spreading coefficients of aliphatic hydrocarbons on water

    SciTech Connect

    Takii, Taichi; Mori, Y.H. . Dept. of Mechanical Engineering)

    1993-11-01

    Experiments have been performed to determine the equilibrium spreading coefficients of some aliphatic hydrocarbons (C[sub 6]C[sub 10]) on water. The thickness of a discrete lens of each hydrocarbon sample floating on a stagnant water pool was measured interferometrically and used to calculate the spreading coefficient of the hydrocarbon with the aid of Langmuir's capillarity theory. The dependences of the spreading coefficient, thus observed, on temperature (0--50 C) and on the number of carbon atoms in the hydrocarbon molecule are in qualitative agreement with the predictions based on the Lifshitz theory of van der Waals forces.

  3. Gasoline-Water Distribution Coefficients of Xylidines

    DTIC Science & Technology

    1943-06-01

    sample calculated. The extinction (absorption) of light is related to the concentration of the absorbing group by the Beer - Lambert law. It was neceaaar...the use of a Beckman quartz spectrophotometer . Data obtained 1dth the spectzrograph were checzed with the spectrophotom- eter and were reproducible to...within 5 percent of the value of the distribution coefficient given, The use of the spectrophotometer greatly enhanced the speed with which the

  4. 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.

  5. 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

  6. Absorption of water and lubricating oils into porous nylon

    NASA Technical Reports Server (NTRS)

    Bertrand, P. A.

    1995-01-01

    Oil and water absorption from air into sintered porous nylon can be described by infiltration into the pores of the material. This process can be modeled by a diffusion-like mechanism. For water absorption, we find a formal diffusion coefficient of 1.5 x 10(exp -4)sq cm/min when the nylon is initially dry. The diffusion coefficient is 4 x 10(exp -6)sq cm/min when the nylon is oil-impregnated prior to air exposure. In a 52% RH atmosphere, dry nylon absorbs 3% w/w water, and oil-impregnated nylon absorbs 0.6% w/w water. For oil absorption there are three steps: (1) surface absorption and infiltration into (2) larger and (3) smaller pores. Surface absorption is too fast to be measured in these experiments. The diffusion coefficient for the second step is 6 x 10(exp -4)sq cm/min for SRG-60 oil into dry nylon and 4 x 10(exp -4)sq cm/min for air-equilibrated nylon. The diffusion coefficient for the third step is about 1 x 10(exp -6)sq cm/min for both cases. The total amount of oil absorbed is 31% w/w. The interaction between water and nylon is not as strong as that between water and cotton-phenolic: oil can replace water, and only a small amount of water can enter previously oil-impregnated nylon.

  7. Inference of the microwave absorption coefficient from stray radiation measurements in Wendelstein 7-X

    NASA Astrophysics Data System (ADS)

    Moseev, D.; Laqua, H. P.; Marsen, S.; Marushchenko, N.; Stange, T.; Braune, H.; Gellert, F.; Hirsch, M.; Hoefel, U.; Knauer, J.; Oosterbeek, J. W.; Turkin, Y.; The Wendelstein 7-X Team

    2017-03-01

    The efficiency of electron cyclotron heating is determined by the microwave absorption of the plasma. Good microwave absorption is also crucial for the machine safety. In this paper we present a method of evaluating the microwave absorption coefficient from stray radiation measurements. The discussed method is computationally simple and can be applied potentially in real time. Evolution of the second harmonic extraordinary mode (X2) microwave absorption coefficient in Wendelstein 7-X during the start-up phase is presented, as well as an estimate of the absorption coefficient for the second harmonic ordinary mode (O2) wave.

  8. FTIR-spectrometer-determined absorption coefficients of seven hydrazine fuel gases - Implications for laser remote sensing

    NASA Technical Reports Server (NTRS)

    Molina, L. T.; Grant, W. B.

    1984-01-01

    The absorption spectra of three hydrazines and four of their air-oxidation products were measured in the 9-12-micron spectral region with a Fourier transform infrared (FTIR) spectrometer with a 0.05-kayser resolution to determine absorption coefficients at CO2 and tunable diode laser wavelengths. The measurements agreed well with published CO2 laser determinations for many of the absorption coefficients, except where the published values are thought to be in error. The coefficients were then used to estimate the sensitivity for remote detection of these gases using CO2 and tunable diode lasers in long-path differential absorption measurements.

  9. 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.

  10. Study of the absorption coefficient in layers of a semiconductor laser heterostructure

    SciTech Connect

    Veselov, D A; Pikhtin, N A; Lyutetskiy, A V; Nikolaev, D N; Slipchenko, S O; Sokolova, Z N; Shamakhov, V V; Shashkin, I S; Voronkova, N V; Tarasov, I S

    2015-07-31

    A method of studying the absorption coefficient in layers of semiconductor lasers is proposed. Using lasers based on MOVPE-grown separate-confinement heterostructures with a broadened waveguide, the absorption coefficient is investigated under pulsed current pumping. It is found that when the pump current flows through the laser in question, an additional internal optical absorption arises in the heterostructure layers. It is shown that an increase in the pump current density up to 20 kA cm{sup -2} leads to an increase in absorption up to 2.5 cm{sup -1}. The feasibility of studying free-carrier absorption in the active region is demonstrated. (lasers)

  11. Sound absorption coefficient in situ: an alternative for estimating soil loss factors.

    PubMed

    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.

  12. 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.

  13. 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.

  14. Magnetic resonance imaging of acoustic streaming: absorption coefficient and acoustic field shape estimation.

    PubMed

    Madelin, Guillaume; Grucker, Daniel; Franconi, Jean-Michel; Thiaudiere, Eric

    2006-07-01

    In this study, magnetic resonance imaging (MRI) is used to visualize acoustic streaming in liquids. A single-shot spin echo sequence (HASTE) with a saturation band perpendicular to the acoustic beam permits the acquisition of an instantaneous image of the flow due to the application of ultrasound. An average acoustic streaming velocity can be estimated from the MR images, from which the ultrasonic absorption coefficient and the bulk viscosity of different glycerol-water mixtures can be deduced. In the same way, this MRI method could be used to assess the acoustic field and time-average power of ultrasonic transducers in water (or other liquids with known physical properties), after calibration of a geometrical parameter that is dependent on the experimental setup.

  15. Density, ultrasound velocity, acoustic impedance, reflection and absorption coefficient determination of liquids via multiple reflection method.

    PubMed

    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.

  16. [Experimental determination of radiation scattering and absorption coefficients in a homogeneous layer of highly-dispersive biological medium].

    PubMed

    Danilov, A A; Masloboev, Iu P; Selishchev, S V; Tereshchenko, S A

    2006-01-01

    A method for experimental determination of optical characteristics of a highly-dispersive medium (radiation scattering and absorption coefficients) is described. The method is based on two mathematical models of ultrashort laser pulse propagation through a highly-dispersive medium (HDM), an axial model and a diffusion model. Milk dissolved in water was used as HDM. Dependences of optical characteristics of HDM on the concentration of milk in water are obtained. The limits of applicability of the axial and diffusion models to media with different scattering and absorption characteristics are determined.

  17. Visible and Near Infrared Absorption Coefficients of Kaolinite and Related Clays.

    DTIC Science & Technology

    propagation of light. This work is intended to provide a quantitative estimate of the absorption coefficient of kaolinite clays by application of a method based on the Kubelka - Munk theory of diffuse reflectance.

  18. A method for determination mass absorption coefficient of gamma rays by Compton scattering.

    PubMed

    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.

  19. 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…

  20. 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.

  1. Absorption and Scattering Coefficients: A Biophysical-Chemistry Experiment Using Reflectance Spectroscopy

    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.

  2. 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.

  3. Determination of molar absorption coefficients of organic compounds adsorbed in porous media.

    PubMed

    Ciani, Andrea; Goss, Kai-Uwe; Schwarzenbach, René P

    2005-12-01

    The kinetics of direct photochemical transformations of organic compounds in light absorbing and scattering media has been sparsely investigated. This is mostly due to the experimental difficulties to assess the major parameters: light intensity in porous media, the reaction quantum yield and the molar absorption coefficient of the adsorbed compound, epsilon(i) (lambda). Here, we propose a method for the determination of the molar absorption coefficient of compounds adsorbed to air-dry surfaces using the Kubelka-Munk model for the description of radiative transfer. To illustrate the method, the molar absorption coefficients of three compounds, i.e. 4-nitroanisole (PNA), the herbicide trifluralin and the flame retardant decabromodiphenyl ether (DecaBDE), were determined on air-dry kaolinite. The measured diffuse reflectance spectra were evaluated with the Kubelka-Munk model and with previously determined Kubelka-Munk absorption and scattering coefficients (k and s), for kaolinite. For all compounds the maximum absorption band was found to be red shifted and the corresponding epsilon(i) (lambda) values were significantly greater than those determined in solvents. Together with the absorption and scattering coefficient of the medium, the measured epsilon(i) (lambda) can be used to determine the quantum yield of the photochemical reaction in this medium from experimentally determined reaction kinetics.

  4. [Extracting THz absorption coefficient spectrum based on accurate determination of sample thickness].

    PubMed

    Li, Zhi; Zhang, Zhao-hui; Zhao, Xiao-yan; Su, Hai-xia; Yan, Fang

    2012-04-01

    Extracting absorption spectrum in THz band is one of the important aspects in THz applications. Sample's absorption coefficient has a complex nonlinear relationship with its thickness. However, as it is not convenient to measure the thickness directly, absorption spectrum is usually determined incorrectly. Based on the method proposed by Duvillaret which was used to precisely determine the thickness of LiNbO3, the approach to measuring the absorption coefficient spectra of glutamine and histidine in frequency range from 0.3 to 2.6 THz(1 THz = 10(12) Hz) was improved in this paper. In order to validate the correctness of this absorption spectrum, we designed a series of experiments to compare the linearity of absorption coefficient belonging to one kind amino acid in different concentrations. The results indicate that as agreed by Lambert-Beer's Law, absorption coefficient spectrum of amino acid from the improved algorithm performs better linearity with its concentration than that from the common algorithm, which can be the basis of quantitative analysis in further researches.

  5. Implications of New Methane Absorption Coefficients on Uranus Vertical Structure Derived from Near-IR Spectra

    NASA Astrophysics Data System (ADS)

    Fry, Patrick M.; Sromovsky, L. A.

    2009-09-01

    Using new methane absorption coefficients from Karkoschka and Tomasko (2009, submitted to Icarus, "Methane Absorption Coefficients for the Jovian Planets from Laboratory, Huygens, and HST Data"), we fit Uranus near-IR spectra previously analyzed in Sromovsky et al. (2006, Icarus 182, 577-593, Fink and Larson, 1979 J- and H-band), Sromovsky and Fry (2008, Icarus 193, 252-266, 2006 NIRC2 J- and H-band, 2006 SpeX) using Irwin et al. (2006, Icarus 181, 309-319) methane absorption coefficients. Because the new absorption coefficients usually result in higher opacities at the low temperatures seen in Uranus' upper troposphere, our previously derived cloud altitudes are expected to generally rise to higher altitudes. For example, using Lindal et al. (1987, JGR 92, 14987-15001) model D temperature and methane abundance profiles, we are better able to fit the J-band 43-deg. south bright band with the new coefficients (chi-square=205, vs. 315 for Irwin), with the pressure of the upper tropospheric cloud decreasing to 1.6 bars (from 2.4 bars using Irwin coefficients). Improvements in fitting H-band spectra from the same latitude are not as readily obtained. Derived upper tropospheric cloud pressures are very similar using the two absorption datasets (1.6-1.7 bars), but the character of the fits differs. New Karkoschka and Tomasko coefficients better fit some details in the 1.5-1.58 micron region, but Irwin fits the broad absorption band wing at 1.61-1.62 microns better, and the fit chi-square values are similar (K&T: 243, Irwin: 220). Results for a higher methane concentration (Lindal et al. model F) were similar. Whether the new coefficients will simply raise derived altitudes across the planet or will result in fundamental changes in structure is as yet unclear. This work was suported by NASA planetary astronomy and planetary atmospheres programs.

  6. 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.

  7. Nonlinear absorption coefficient of pulsed laser deposited MgZnO thin film

    SciTech Connect

    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.

  8. Assessing Absorption Coefficient of Hemoglobin in the Breast Phantom Using Near-Infrared Spectroscopy

    PubMed Central

    Mehnati, Parinaz; Jafari Tirtash, Maede; Zakerhamidi, Mohammad Sadegh; Mehnati, Parisa

    2016-01-01

    Background Blood concentrations and oxygen saturation levels are important biomarkers for breast cancer diagnosis. Objectives In this study, the absorption coefficient of hemoglobin (Hb) was used to distinguish between normal and abnormal breast tissue. Materials and Methods A near-infrared source (637 nm) was transmitted from major and minor vessels of a breast phantom containing 2×, 4× concentrations of oxy- and deoxy-Hb. The absorption coefficients were determined from spectrometer (SM) and powermeter (PM) data. Results The absorption coefficients were 0.075 ± 0.026 cm-1 for oxygenated Hb (normal) in major vessels and 0.141 ± 0.023 cm-1 at 4× concentration (abnormal) with SM, whereas the breast absorption coefficients were 0.099 ± 0.017 cm-1 for oxygenated Hb (normal) in minor vessels and 0.171 ± 0.005 cm-1 at 4× concentrations with SM. A comparison of the data obtained using a SM and a PM was not significant statistically. Conclusion The study of the absorption coefficient data of different concentrations of Hb in normal and abnormal breasts via the diffusion of near-infrared light is a valuable method and has the potential to aid in early detection of breast abnormalities with SM and PM in major and minor vessels. PMID:27895869

  9. Evaluation of ammonia absorption coefficients by photoacoustic spectroscopy for detection of ammonia levels in human breath

    NASA Astrophysics Data System (ADS)

    Dumitras, D. C.; Dutu, D. C.; Matei, C.; Cernat, R.; Banita, S.; Patachia, M.; Bratu, A. M.; Petrus, M.; Popa, C.

    2011-04-01

    Photoacoustic spectroscopy represents a powerful technique for measuring extremely low absorptions independent of the path length and offers a degree of parameter control that cannot be attained by other methods. We report precise measurements of the ammonia absorption coefficients at the CO2 laser wavelengths by using a photoacoustic (PA) cell in an extracavity configuration and we compare our results with other values reported in the literature. Ammonia presents a clear fingerprint spectrum and high absorption strengths in the CO2 wavelengths region. Because more than 250 molecular gases of environmental concern for atmospheric, industrial, medical, military, and scientific spheres exhibit strong absorption bands in the region 9.2-10.8 μm, we have chosen a frequency tunable CO2 laser. In the present work, ammonia absorption coefficients were measured at both branches of the CO2 laser lines by using a calibrated mixture of 10 ppm NH3 in N2. We found the maximum absorption in the 9 μm region, at 9R(30) line of the CO2 laser. One of the applications based on the ammonia absorption coefficients is used to measure the ammonia levels in exhaled human breath. This can be used to determine the exact time necessary at every session for an optimal degree of dialysis at patients with end-stage renal disease.

  10. Proposed human stratum corneum water domain in chemical absorption.

    PubMed

    Zhu, Hanjiang; Jung, Eui-Chang; Hui, Xiaoying; Maibach, Howard

    2016-08-01

    Compounds with varying physical and chemical properties may have different affinities to the stratum corneum (SC) and/or its intercellular lipids, keratin protein, and possible water domains. To better understand the mechanism of percutaneous absorption, we utilized 21 carbon-14 labeled chemicals, with wide hydrophilicity (log P = -0.05 to 6.17), and quantified their absorption/adsorption properties for a short incubation time (15 min) with regards to intact SC membrane, delipidized SC membrane and SC lipid. A facile method was developed for SC/lipid absorption, providing a more equivalent procedure and comparable data. SC lipid absorption of chemical solutes positively correlated with the octanol/water partition coefficient (log P). Differences between the percent dose of chemical absorption to intact SC and the total percent dose contributed by the protein and lipid domains suggest the possibility and significance of a water domain. Absorption rate experiments showed a longer lag time for intact SC than for delipidized SC or SC lipid, suggesting that the water domain may delay chemical binding to protein and lipid domains, and may be a factor in the resistance of many chemicals to current decontamination methods. Copyright © 2015 John Wiley & Sons, Ltd.

  11. 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.

  12. Determination of the Absorption Coefficient and Cloudiness Multiplicity Attenuation During the Gamma-Radiation Passage

    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.

  13. A numerical study of a method for measuring the effective in situ sound absorption coefficient.

    PubMed

    Kuipers, Erwin R; Wijnant, Ysbrand H; de Boer, André

    2012-09-01

    The accuracy of a method [Wijnant et al., Proc. of ISMA 31, Leuven, Belgium (2010), Vol. 31] for measurement of the effective area-averaged in situ sound absorption coefficient is investigated. Based on a local plane wave assumption, this method can be applied to sound fields for which a model is not available. Investigations were carried out by means of finite element simulations for a typical case. The results show that the method is a promising method for determining the effective area-averaged in situ sound absorption coefficient in complex sound fields.

  14. Measurement of optical absorption coefficient of bio-tissue at 532nm wavelength

    NASA Astrophysics Data System (ADS)

    Huang, Chuyun; Li, Zhengjia; Yao, Yucheng; He, Yanyan

    2007-05-01

    Laser technology has succeeded in medical application. High power 532nm laser has applied in prostate ablation and other clinic application. To understand optical property of bio-tissue at 532nm wavelength, a method of monitoring surface temperature was used to measure absorption coefficient of gall-stone, porcine liver and canine prostate. The absorption coefficient of gall-stone is about 62cm -1 at 532nm wavelength, and those of porcine liver and canine prostate are about 13cm -1 and 5.4cm -1, respectively. These results help to understand the optical property of bio-tissue and offer theoretic reference for optical dosimetry in clinic application.

  15. In vivo light fluence correction for determination of tissue absorption coefficient using Multispectral Optoacoustic Tomography

    NASA Astrophysics Data System (ADS)

    Brochu, Frederic M.; Joseph, James; Tomaszewski, Michal R.; Bohndiek, Sarah E.

    2016-03-01

    Optoacoustic Tomography is a fast developing imaging modality, combining the high resolution and penetration depth of ultrasound detection with the high contrast available from optical absorption in tissue. The spectral profile of near infrared excitation light used in optoacoustic tomography instruments is modified by absorption and scattering as it propagates deep into biological tissue. The resulting images therefore provide only qualitative insight into the distribution of tissue chromophores. Knowledge of the spectral profile of excitation light across the mouse is needed for accurate determination of the absorption coefficient in vivo. Under the conditions of constant Grueneisen parameter and accurate knowledge of the light fluence, a linear relationship should exist between the initial optoacoustic pressure amplitude and the tissue absorption coefficient. Using data from a commercial optoacoustic tomography system, we implemented an iterative optimization based on the σ-Eddington approximation to the Radiative Transfer Equation to derive a light fluence map within a given object. We segmented the images based on the positions of phantom inclusions, or mouse organs, and used known scattering coefficients for initialization. Performing the fluence correction in simple phantoms allowed the expected linear relationship between recorded and independently measured absorption coefficients to be retrieved and spectral coloring to be compensated. For in vivo data, the correction resulted in an enhancement of signal intensities in deep tissues. This improved our ability to visualize organs at depth (> 5mm). Future work will aim to perform the optimization without data normalization and explore the need for methodology that enables routine implementation for in vivo imaging.

  16. Dynamic absorption coefficients of chemically amplified resists and nonchemically amplified resists at extreme ultraviolet

    NASA Astrophysics Data System (ADS)

    Fallica, Roberto; Stowers, Jason K.; Grenville, Andrew; Frommhold, Andreas; Robinson, Alex P. G.; Ekinci, Yasin

    2016-07-01

    The dynamic absorption coefficients of several chemically amplified resists (CAR) and non-CAR extreme ultraviolet (EUV) photoresists are measured experimentally using a specifically developed setup in transmission mode at the x-ray interference lithography 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 postabsorption chemical reaction ongoing in the resist, which also predicts a quantitative clearing volume and clearing radius, due to the photon absorption in the resist. These parameters may help provide deeper insight into the underlying mechanisms of the EUV concepts of clearing volume and clearing radius, which are then defined and quantitatively calculated.

  17. Ultraviolet (250-550  nm) absorption spectrum of pure water.

    PubMed

    Mason, John D; Cone, Michael T; Fry, Edward S

    2016-09-01

    Data for the spectral light absorption of pure water from 250 to 550 nm have been obtained using an integrating cavity made from a newly developed diffuse reflector with a very high UV reflectivity. The data provide the first scattering-independent measurements of absorption coefficients in the spectral gap between well-established literature values for the absorption coefficients in the visible (>400  nm) and UV (<200  nm). A minimum in the absorption coefficient has been observed in the UV at 344 nm; the value is 0.000811±0.000227  m-1.

  18. Water-lithium bromide double-effect absorption cooling analysis

    NASA Astrophysics Data System (ADS)

    Vliet, G. C.; Lawson, M. B.; Lithgow, R. A.

    1980-12-01

    A numerical model was developed for the transient simulation of the double-effect, water-lithium bromide absorption cooling machine and was used to determine the effect of the various design and input variables on the absorption unit performance. The performance parameters considered were coefficient of performance and cooling capacity. The variables considered include source hot water, cooling water, and chilled water temperatures; source hot water, cooling water, and chilled water flow rates; solution circulation rate; heat exchanger areas; pressure drop between evaporator and absorber; solution pump characteristics; and refrigerant flow control methods. The performance sensitivity study indicates that the distribution of heat exchanger area among the various (seven) heat exchange components is a very important design consideration. Moreover, it indicated that the method of flow control of the first effect refrigerant vapor through the second effect is a critical design feature when absorption units operate over a significant range of cooling capacity. The model was used to predict the performance of the Trane absorption unit with fairly good accuracy.

  19. Characterizing the Chlorophyll-a Specific Absorption Coefficient of Phytoplankton Measured in the Gulf of Maine in Varying Oceanic Provinces

    NASA Astrophysics Data System (ADS)

    Dowell, M.

    2006-12-01

    Chlorophyll-a specific absorption (aph*) is a parameter used in bio-optical and primary production models and its coefficients are usually assumed to be constant. However, it has been documented in previous studies that these coefficients vary significantly due to pigmentation and "the package effect" which are a function of the taxonomic composition and the physiological state of the algal population. As part of the Coastal Ocean Observing Center (COOC) at the University of New Hampshire, HPLC pigments and phytoplankton absorption measurements were taken from water samples collected within the Gulf of Maine from 2004-2006. These data were then partitioned spatially, temporally, seasonally, and by other classification criteria. Spectral aph* means were generated for all partitions within each classification method. The results were used to parameterize province-specific bio-optical models for a regional algorithm. The separation of aph* means into different classes captured the effects of taxonomy and the package effect by reducing aph* variability.

  20. Approaches to a Quantitative Analytical Description of Low Frequency Sound Absorption in Sea Water,

    DTIC Science & Technology

    1980-09-01

    Liebermann (1948) found that the absorption coefficient, a, was frequency dependent in the range 100- 1000 kHz and could be attributed to perturbations due...Affecting the Attenuation of Low Frequency Sound in Sea Water", MRL Report No. R-782 (1979). 2. Liebermann , R.M., "Origin of Sound Absorption in Water

  1. Effects of nanosilver on sound absorption coefficients in solid wood species.

    PubMed

    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.

  2. Water-related absorption in fibrous diamonds

    NASA Astrophysics Data System (ADS)

    Zedgenizov, D. A.; Shiryaev, A. A.; Kagi, H.; Navon, O.

    2003-04-01

    Cubic and coated diamonds from several localities (Brasil, Canada, Yakutia) were investigated using spectroscopic techniques. Special emphasis was put on investigation of water-related features of transmission Infra-red and Raman spectra. Presence of molecular water is inferred from broad absorption bands in IR at 3420 and 1640 cm-1. These bands were observed in many of the investigated samples. It is likely that molecular water is present in microinclusions in liquid state, since no clear indications of solid H_2O (ice VI-VII, Kagi et al., 2000) were found. Comparison of absorption by HOH and OH vibrations shows that diamonds can be separated into two principal groups: those containing liquid water (direct proportionality of OH and HOH absorption) and those with stronger absorption by OH group. Fraction of diamonds in every group depends on their provenance. There might be positive correlation between internal pressure in microinclusions (determined using quartz barometer, Navon et al., 1988) and affiliation with diamonds containing liquid water. In many cases absorption by HOH vibration is considerably lower than absorption by hydroxyl (OH) group. This may be explained if OH groups are partially present in mineral and/or melt inclusions. This hypothesis is supported by following fact: in diamonds with strong absorption by silicates and other minerals shape and position of the OH band differs from that in diamonds with low absorption by minerals. Moreover, in Raman spectra of individual inclusions sometimes the broad band at 3100 cm-1 is observed. This band is OH-related. In some samples water distribution is not homogeneous. Central part of the diamond usually contains more water than outer parts, but this is not a general rule for all the samples. Water absorption usually correlated with absorption of other components (carbonates, silicates and others). At that fibrous diamonds with relatively high content of silicates are characterized by molecular water. OH

  3. Studies on mass energy-absorption coefficients and effective atomic energy-absorption cross sections for carbohydrates

    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.

  4. Determination of Absorption and Scattering Coefficients for Nonhomogeneous Media: II. Experiment.

    DTIC Science & Technology

    prepared from a glass of known absorption coefficient variation. The new model produces an accuracy inprovement up to a factor of 2.5 over the Kubelka ... Munk theory. Off-axis scattering measurements were made with improved instrumentation between 0.33 and 2.7 micrometers. The model was then applied to

  5. Calibration of an integrating sphere for determining the absorption coefficient of scattering suspensions.

    PubMed

    Nelson, N B; Prézelin, B B

    1993-11-20

    Measuring the absolute absorption of suspensions of absorbing particles with unknown scattering characteristics is not possible in conventional spectrophotometers or in integrating spheres that have the sample located outside the sphere. A method for the calibration and use of an integrating sphere with a centrally located sample to measure absolute absorption coefficients of scattering suspensions is presented. Under the tested conditions the integrating sphere used in this study was insensitive to changes in the scattering coefficient of the sample but had a nonlinear response to increasing absorption of the sample, which could be corrected with an empirically derived function. This response was analyzed by using a Monte Carlo simulation, and results indicated that amplification of the absorption signal was primarily due to photons reflected from the sphere surface and the baffle reentering the cuvette. The calibration procedure described here may be generally applicable to spheres of different configurati n. An example of the use of the sphere for determining the absorption and scattering coefficients of marine phytoplankton samples is presented.

  6. Mass specific optical absorption coefficients of mineral dust components measured by a multi wavelength photoacoustic spectrometer

    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.

  7. [Development of a photoacoustic spectroscopy system for the measurement of absorption coefficient of atmospheric aerosols].

    PubMed

    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.

  8. Quantitative photoacoustic microscopy of optical absorption coefficients from acoustic spectra in the optical diffusive regime.

    PubMed

    Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro; Wang, Lihong V

    2012-06-01

    Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of <3%. We also quantified the total hemoglobin concentration and hemoglobin oxygen saturation in a live mouse. Compared with the conventional amplitude method, the acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed.

  9. Additions and corrections to the absorption coefficients of CO2 ice - Applications to the Martian south polar cap

    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.

  10. Absorptivity of water vapor for 10.6 micron radiation

    NASA Technical Reports Server (NTRS)

    Pugh, E. R.; Krech, R. H.

    1982-01-01

    Attention is called to recent measurements of the absorptivity of water vapor to 10.6-micron laser radiation made using shock-heated H2O/H2 and H2O/Ar mixtures and a probe CO2 laser. It is noted that these measurements give values about a factor of 2 lower than Ludwig's (1971) low resolution values. It is also argued that Fowler's (1981) high values are not likely to be caused by excited water molecules. It is shown that very intense laser radiation would be required to obtain any appreciable vibrational nonequilibrium. Within the narrow spectral range of 944-948/cm, no significant variation in absorption coefficient (suitably normalized) is observed as a function of laser line, water vapor concentration, total pressure, or diluent gas.

  11. Effects of combined scattering and absorption coefficients on laser speckle contrast imaging values

    NASA Astrophysics Data System (ADS)

    Khaksari, Kosar; Kirkpatrick, Sean J.

    2015-03-01

    Laser Speckle contrast imaging (LSCI) is a non-invasive or minimally invasive method for visualizing blood flow and perfusion in biological tissues. In LSCI the motion of scattering particles results in a reduction in global and regional speckle contrast. A variety of parameters can affect the calculated contrast values in LSCI techniques, including the optical properties of the fluid and surrounding tissue. In typical LSCI where the motion of blood is of interests, optical properties are influenced by hematocrit levels. In this work we considered the combined effects of both the scattering and absorption coefficients on LSCI measurements on a flow phantom. Fluid phantoms consisting of various concentrations of neutrally buoyant ~10 micron microspheres and India ink mixed with DI water were formulated to mimic the optical properties of whole blood with various levels of hematocrit. In these flow studies, it was found that an increase in μa and/or μs led to a decrease in contrast values when all other experimental parameters were held constant. The observed reduction in contrast due to optical property changes could easily be confused with a contrast reduction due to increased flow velocity. These results suggest that optical properties need to be considered when using LSCI to make flow estimates.

  12. Light fluence correction for quantitative determination of tissue absorption coefficient using multi-spectral optoacoustic tomography

    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.

  13. Diffuse reflectance spectroscopy as a tool to measure the absorption coefficient in skin: system calibration.

    PubMed

    Karsten, A E; Singh, A; Karsten, P A; Braun, M W H

    2013-02-01

    An individualised laser skin treatment may enhance the treatment and reduces risks and side-effects. The optical properties (absorption and scattering coefficients) are important parameters in the propagation of laser light in skin tissue. The differences in the melanin content of different skin phototypes influence the absorption of the light. The absorption coefficient at the treatment wavelength for an individual can be determined by diffuse reflectance spectroscopy, using a probe containing seven fibres. Six of the fibres deliver the light to the measurement site and the central fibre collects the diffused reflected light. This is an in vivo technique, offering benefits for near-real-time results. Such a probe, with an effective wavelength band from 450 to 800 nm, was used to calibrate skin-simulating phantoms consisting of intralipid and ink. The calibration constants were used to calculate the absorption coefficients from the diffuse reflectance measurements of three volunteers (skin phototypes, II, IV and V) for sun-exposed and non-exposed areas on the arm.

  14. Relationships between octanol-water partition coefficient and aqueous solubility

    SciTech Connect

    Miller, M.M.; Waslk, S.P.; Huang, G.L.; Shiu, W.Y.; Mackay, D.

    1985-06-01

    The thermodynamic relationship between octanol-water partition coefficient and aqueous solubility is discussed in the light of recently measured data for highly hydrophobic chemicals. Experimental data indicate that the presence of dissolved octanol in water has little effect on the solubility of chemicals in water and that the presence of dissolved water in octanol has little effect on the solubility of chemicals in octanol. The activity coefficients of hydrophobic chemicals in aqueous solution and in octanol solution both increase with increased chemical molar volume. An approximately linear relationship between log activity coefficient and molar volume is suggested in both phases, a consequence of which is that a plot of log octanol-water partition coefficient vs. log liquid or subcooled liquid solubility has a slope of approximately -0.8. A molecular thermodynamic interpretation of the data is presented, and some environmental implications are discussed.

  15. Correlation of octanol/water solubility ratios and partition coefficients

    SciTech Connect

    Pinsuwan, S.; Li, A.; Yalkowsky, S.H.

    1995-05-01

    The partition coefficient between octanol and water in an important physicochemical parameter for characterizing the lipophilicity or hydrophobicity of a compound and it is used in many fields, especially in the environmental and pharmaceutical sciences. The octanol/water solubility ratio (S{sub o}/S{sub W}) was found to be highly correlated with the octanol/water partition coefficient (K{sub ow}) of 82 pharmaceutically and environmentally relevant compounds. The solubility ratio gives comparable estimates to that of the group contribution (log P(calcd)) method for estimating the partition coefficient of the compounds used in this study.

  16. Thin-film absorption coefficients by attenuated-total-reflection spectroscopy.

    PubMed

    Holm, R T; Palik, E D

    1978-02-01

    The application of attenuated-total-reflection spectroscopy to the measurement of the absorption coefficient of thin films is presented. For low absorption the sensitivity of ATR is discussed in terms of the concept of an effective thickness. Both the case in which the refractive index of the film is higher and the case in which it is lower than that of the ATR trapezoid are considered. Experimental ATR data for antireflection-coating materials for laser windows is analyzed and compared with calorimetric data.

  17. Simultaneous retrieval of temperature-dependent absorption coefficient and conductivity of participating media

    PubMed Central

    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

  18. Infrared absorption-coefficient data on SF6 applicable to atmospheric remote sensing

    NASA Technical Reports Server (NTRS)

    Varanasi, P.; Gopalan, A.; Brannon, J. F., Jr.

    1992-01-01

    Spectral absorption coefficients, k(nu)/cm per atm, of SF6 have been measured in the central Q-branches of the nu(3)-fundamental at 947/cm at various temperature-pressure combinations representing tangent heights in solar-occultation experiments or layers in the atmosphere. The data obtained with the Doppler-limited spectral resolution (about 0.0001/cm) of a tunable-diode laser spectrometer are useful in the atmospheric remote sensing of this trace gas.

  19. Methane absorption coefficients for the jovian planets from laboratory, Huygens, and HST data

    NASA Astrophysics Data System (ADS)

    Karkoschka, Erich; Tomasko, Martin G.

    2010-02-01

    We use 11 data sets of methane transmission measurements within 0.4-5.5 μm wavelength to model the methane transmission for temperature and pressure conditions in the jovian planets. Eight data sets are based on published laboratory measurements. Another two data sets come from two spectrometers onboard the Huygens probe that measured methane absorption inside Titan's atmosphere ( Tomasko et al., 2008b, PSS 56, 624), and we provide a refined analysis. The last data set is a set of new Jupiter images by the Hubble Space Telescope to measure atmospheric transmission with Ganymede as the light source. Below 1000 nm wavelength, our resulting methane absorption coefficients are generally close to those by Karkoschka (1998, Icarus 133, 134), but we add descriptions of temperature and pressure dependence. One remaining inconsistency occurs between 882 and 902 nm wavelength where laboratory data predict larger absorptions in the jovian atmospheres than observed. We present possible explanations. Above 1000 nm, our analysis of the Huygens data confirms methane absorption coefficients by Irwin et al. (2006, Icarus 181, 309) at their laboratory temperatures. Huygens data also confirm Irwin's model of extrapolation to Titan's lower pressures. However, their model of extrapolation to Titan's lower temperatures predicts absorption coefficients up to 100 times lower than measured by Huygens. For each of ˜3700 wavelengths, we present a temperature dependence that is consistent with all laboratory data and the Huygens data. Since the Huygens data probe similar temperatures as many observations of Saturn, Uranus, Neptune, and Titan, our methane model will allow more reliable radiative transfer models for their atmospheres.

  20. The influence of surface preparation on the absorption coefficient of laser radiation

    NASA Astrophysics Data System (ADS)

    Kurp, Piotr; Mucha, Zygmunt; Mulczyk, Krystian; Gradoń, Ryszard; Trela, Paweł

    2016-12-01

    The absorption coefficient of the surface of a workpiece is of importance in laser treatment, particularly in the treatment where the temperature of an element must be strictly controlled. Laser surface treatment (such as hardening, metallic glazing) and laser forming can be primarily included in this type of technology. In another case, surface temperature must be precisely controlled, especially if structural changes are to be avoided. There are a number of ways to increase the absorption coefficient of the surface of an element. Since the laser forming is the research subject of the authors of the presented paper, it was necessary to determine the absorption coefficient for the different surfaces preparation of workpieces. Raw surface, oxidized surface, sandblasted surface, black enamel covered surface and waterglass covered surface were examined, respectively. The experiment was performed using a CO2 laser with a head for a surface treatment which generates a rectangular beam of dimensions 2x20 mm, and the samples were made of X5CrNi18-10 stainless steel.

  1. Dependence of dose coefficients for inhaled 239Pu on absorption parameters.

    PubMed

    Suzuki, K; Sekimoto, H; Ishigure, N

    2001-01-01

    With regard to dissolution of particles in the respiratory tract after inhalation, the International Commission on Radiological Protection (ICRP) has classified all radionuclides into only three types according to the chemical form of compounds, and default values of absorption parameters are proposed for each type. However, it is just a simplification to estimate doses for practical use, and there is a possibility of unfitness in such an assortment. A code has been developed to reproduce the ICRP's dose coefficients for 239Pu, which is one of the most important elements for occupational exposure. By using this code, the respective absorption parameters were modified, and the effect owing to these changes evaluated. It was shown consequently that changes of absorption parameters do not greatly influence the effective doses of 239Pu for workers.

  2. Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings

    DOE PAGES

    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

  3. Two-photon interband absorption coefficients in tungstate and molybdate crystals

    NASA Astrophysics Data System (ADS)

    Lukanin, V. I.; Karasik, A. Ya.

    2015-02-01

    Two-photon absorption (TPA) coefficients were measured in tungstate and molybdate crystals - BaWO4, KGW, CaMoO4, BaMoO4, CaWO4, PbWO4 and ZnWO4 upon different orientations of excitation polarization with respect to the crystallographic axes. Trains of 25 ps pulses with variable radiation intensities of third (349 nm) harmonics of passively mode-locked 1047 nm Nd:YLF laser were used for interband two-photon excitation of the crystals. It was suggested that in the case, when 349 nm radiation pumping energy exceeds the bandgap width (hν>Eg), the nonlinear excitation process can be considered as two-step absorption. The interband two-photon absorption in all the studied crystals induces the following one-photon absorption from the exited states, which affects the nonlinear process dynamics and leads to a hysteresis in the dependence of the transmission on the excitation intensity. This fact was taken into account under analysis of the experimental dependences of the reciprocal transmission on the excitation intensity. Laser excitation in the transparency region of the crystals caused stimulated Raman scattering (SRS) not for all the crystals studied. The measured nonlinear coefficients allowed us to explain the suppression of SRS in crystals as a result of competition between the SRS and TPA.

  4. Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings

    SciTech Connect

    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° 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.

  5. Backscatter factors and mass energy-absorption coefficient ratios for diagnostic radiology dosimetry.

    PubMed

    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.

  6. Methamphetamine absorption by skin lipids: accumulated mass, partition coefficients, and the influence of fatty acids.

    PubMed

    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.

  7. Consumptive Water Use and Crop Coefficients of Irrigated Sunflower

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In semi-arid environments, the use of irrigation is necessary for sunflower production to reach its maximum potential. The aim of this study was to quantify the consumptive water use and crop coefficients of irrigated sunflower (Helianthus annuus L.) without soil water limitations during two growing...

  8. n-Alcohol/Water Partition Coefficients for Decachlorobiphenyl (PCB 209)

    EPA Science Inventory

    Measurements of n-octanol/water partition coefficients (Kow) for highly hydrophobic chemicals are extremely difficult and are rarely made, in part due to the large volumes of water typically needed to quantify these compounds in the aqueous phase. An extrapolation approach using ...

  9. Measurements of the absorption and scattering coefficients of aerosol particles in suburb of Nanjing (China)

    NASA Astrophysics Data System (ADS)

    Yin, Yan; Chen, Yu; Wang, Weiwei; Yan, Jiade; Qian, Ling; Tong, Yaoqing; Lin, Zhenyi

    2008-08-01

    The absorption and scattering coefficients of atmospheric aerosols were continuously measured with a Photoacoustic Soot Spectrometer (PASS, DMT Inc. USA) at a suburb site of Nanjing, one of the regions experiencing rapid industrialization in China. The measurements were carried out during autumn and winter 2007. A preliminary analysis of the data shows that, the scattering coefficient, Bscat, is two to ten times larger than the absorption coefficient, Babs, implying that the aerosols formed/emitted in this area are more scattering than previous assumed, and can be more important in cooling the Earth-atmosphere system. The results also indicate that the absolute values of both parameters are very much dependent on the meteorological conditions, such as wind speed and direction, fog, rain, etc. as well as the time of the day. Higher values often appear at nighttimes when wind is weak, especially when a temperature inverse layer is present near the surface. Higher values of Bscat and Babs were also observed under hazy and foggy weather conditions or when wind is blown from east, where a large industrial zone is located. Simultaneous measurements of the number concentrations, chemical compositions, and size distributions of aerosol particles are used to explain the characteristics of the changes in Bscat and Babs.

  10. Spatial variability of absorption coefficients over a biogeochemical gradient in a large and optically complex shallow lake

    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.

  11. Monitoring Telluric Water Absorption with CAMAL

    NASA Astrophysics Data System (ADS)

    Baker, Ashley; Blake, Cullen; Sliski, David

    2017-01-01

    Ground-based observations are severely limited by telluric water vapor absorption features, which are highly variable in time and significantly complicate both spectroscopy and photometry in the near-infrared (NIR). To achieve the stability required to study Earth-sized exoplanets, monitoring the precipitable water vapor (PWV) becomes necessary to mitigate the impact of telluric lines on radial velocity measurements and transit light curves. To address this issue, we present the Camera for the Automatic Monitoring of Atmospheric Lines (CAMAL), a stand-alone, inexpensive 6-inch aperture telescope dedicated to measuring PWV at the Whipple Observatory. CAMAL utilizes three NIR narrowband filters to trace the amount of atmospheric water vapor affecting simultaneous observations with the MINiature Exoplanet Radial Velocity Array (MINERVA) and MINERVA-Red telescopes. We present the current design of CAMAL, discuss our calibration methods, and show PWV measurements taken with CAMAL compared to those of a nearby GPS water vapor monitor.

  12. Quantifying the effect of finite spectral bandwidth on extinction coefficient of species in laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Singh, Manjeet; Singh, Jaswant; Singh, Baljit; Ghanshyam, C.

    2016-11-01

    The aim of this study is to quantify the finite spectral bandwidth effect on laser absorption spectroscopy for a wide-band laser source. Experimental analysis reveals that the extinction coefficient of an analyte is affected by the bandwidth of the spectral source, which may result in the erroneous conclusions. An approximate mathematical model has been developed for optical intensities having Gaussian line shape, which includes the impact of source's spectral bandwidth in the equation for spectroscopic absorption. This is done by introducing a suitable first order and second order bandwidth approximation in the Beer-Lambert law equation for finite bandwidth case. The derived expressions were validated using spectroscopic analysis with higher SBW on a test sample, Rhodamine B. The concentrations calculated using proposed approximation, were in significant agreement with the true values when compared with those calculated with conventional approach.

  13. Effect of sealants of the sound absorption coefficients of acoustical friable insulating materials

    NASA Astrophysics Data System (ADS)

    Wayman, J. L.; Lory, M. K.

    1984-10-01

    Acoustical friable insulating materials (AFIM), which often in the past contained asbestos, have been used for sound control since the mid 1930's. Because of their widespread use and the ease of fiber dissemination, friable asbestos materials are considered to be the major source of asbestos fiber contamination in the indoor environment. Encapsulation of asbestos materials with a commercial sealant product is one of several methods used to control potential asbestos exposure in rooms. A sealant product that preserves most of the acoustical properties of the material is preferred in this usage. AFIM sample materials were treated with 6 types of sealants and the effects on normally incident absorption coefficients from 100 to 2500 Hz were measured using a fixed, dual-microphone technique. Penetrating type sealants were found to have a less detrimental effect on sound absorption than those of a bridging type.

  14. The effective air absorption coefficient for predicting reverberation time in full octave bands.

    PubMed

    Wenmaekers, R H C; Hak, C C J M; Hornikx, M C J

    2014-12-01

    A substantial amount of research has been devoted to producing a calculation model for air absorption for pure tones. However, most statistical and geometrical room acoustic prediction models calculate the reverberation time in full octave bands in accordance with ISO 3382-1 (International Organization for Standardization, 2009). So far, the available methods that allow calculation of air absorption in octave bands have not been investigated for room acoustic applications. In this paper, the effect of air absorption on octave band reverberation time calculations is investigated based on calculations. It is found that the approximation method, as described in the standard ANSI S1.26 (American National Standards Institute, 1995), fails to estimate accurate decay curves for full octave bands. In this paper, a method is used to calculate the energy decay curve in rooms based on a summation of pure tones within the band. From this decay curve, which is found to be slightly concave upwards, T20 and T30 can be determined. For different conditions, an effective intensity attenuation coefficient mB ;eff for the full octave bands has been calculated. This mB ;eff can be used for reverberation time calculations, if results are to be compared with T20 or T30 measurements. Also, guidelines are given for the air absorption correction of decay curves, measured in a scale model.

  15. Water vapor-nitrogen absorption at CO2 laser frequencies

    NASA Technical Reports Server (NTRS)

    Peterson, J. C.; Thomas, M. E.; Nordstrom, R. J.; Damon, E. K.; Long, R. K.

    1979-01-01

    The paper reports the results of a series of pressure-broadened water vapor absorption measurements at 27 CO2 laser frequencies between 935 and 1082 kaysers. Both multiple traversal cell and optoacoustic (spectrophone) techniques were utilized together with an electronically stabilized CW CO2 laser. Comparison of the results obtained by these two methods shows remarkable agreement, indicating a precision which has not been previously achieved in pressure-broadened studies of water vapor. The data of 10.59 microns substantiate the existence of the large (greater than 200) self-broadening coefficients determined in an earlier study by McCoy. In this work, the case of water vapor in N2 at a total pressure of 1 atm has been treated.

  16. The coefficient of bond thermal expansion measured by extended x-ray absorption fine structure.

    PubMed

    Fornasini, P; Grisenti, R

    2014-10-28

    The bond thermal expansion is in principle different from the lattice expansion and can be measured by correlation sensitive probes such as extended x-ray absorption fine structure (EXAFS) and diffuse scattering. The temperature dependence of the coefficient α(bond)(T) of bond thermal expansion has been obtained from EXAFS for CdTe and for Cu. A coefficient α(tens)(T) of negative expansion due to tension effects has been calculated from the comparison of bond and lattice expansions. Negative lattice expansion is present in temperature intervals where α(bond) prevails over α(tens); this real-space approach is complementary but not equivalent to the Grüneisen theory. The relevance of taking into account the asymmetry of the nearest-neighbours distribution of distances in order to get reliable bond expansion values and the physical meaning of the third cumulant are thoroughly discussed.

  17. Variation of Phytoplankton Absorption Coefficients in the Northern South China Sea during Spring and Autumn

    DTIC Science & Technology

    2007-05-21

    samples were collected with 1.7 L Niskin bottles mounted on a rosette equipped with a SBE19 CTD which provides temperature and salinity data. Samples were...21 November is 2002) on board R/V Yanping I1. Figure 1 shows the stations for CTD surveys and ab- sorption sampling . The 2001 cruise involved one...were sampled in both cruise legs for absorption coefficients (the second sampling is annotated as Sta. 6’ and Sta. 2’, respectively). 1559 Our sample

  18. Two-photon absorption and Kerr coefficients of silicon for 850-2200 nm

    NASA Astrophysics Data System (ADS)

    Bristow, Alan D.; Rotenberg, Nir; van Driel, Henry M.

    2007-05-01

    The degenerate two-photon absorption coefficient β and Kerr nonlinearity n2 are measured for bulk Si at 300K using 200fs pulses with carrier wavelength of 850<λ<2200nm for which indirect gap transitions occur. With a broad peak near the indirect gap and maximum value of 2±0.5cm/GW, the dispersion of β compares favorably with theoretical calculations of Garcia and Kalyanaraman [J. Phys. B 39, 2737 (2006)]. Within our wavelength range, n2 varies by a factor of 4 with a peak value of 1.2×10-13cm2/W at λ =1800nm.

  19. Vapor-Phase Absorptivity Coefficient of Ethyl N,N-Dimethylphosphoramidocyanidate

    DTIC Science & Technology

    2010-01-01

    diluted in solvent by gas chromotography -mass spectrometry (GC-MS) indicated 3.4% triethyl phosphate (TEPO), as well ə% each of 0-ethyl-N,N-dimethyl...absorptivity coefficient of the chemical warfare agent ethyl N,N-dimethyl- phosphoramidocyanidate ( GA ) in the mid-infrared (4000-550 cm"’) at a...spectral resolution of 0.125 cm"’. The GA used in the feedstock was purified by fractional distillation and analyzed by nuclear magnetic resonance and

  20. A novel method for measuring polymer-water partition coefficients.

    PubMed

    Zhu, Tengyi; Jafvert, Chad T; Fu, Dafang; Hu, Yue

    2015-11-01

    Low density polyethylene (LDPE) often is used as the sorbent material in passive sampling devices to estimate the average temporal chemical concentration in water bodies or sediment pore water. To calculate water phase chemical concentrations from LDPE concentrations accurately, it is necessary to know the LDPE-water partition coefficients (KPE-w) of the chemicals of interest. However, even moderately hydrophobic chemicals have large KPE-w values, making direct measurement experimentally difficult. In this study we evaluated a simple three phase system from which KPE-w can be determined easily and accurately. In the method, chemical equilibrium distribution between LDPE and a surfactant micelle pseudo-phase is measured, with the ratio of these concentrations equal to the LDPE-micelle partition coefficient (KPE-mic). By employing sufficient mass of polymer and surfactant (Brij 30), the mass of chemical in the water phase remains negligible, albeit in equilibrium. In parallel, the micelle-water partition coefficient (Kmic-w) is determined experimentally. KPE-w is the product of KPE-mic and Kmic-w. The method was applied to measure values of KPE-w for 17 polycyclic aromatic hydrocarbons, 37 polychlorinated biphenyls, and 9 polybrominated diphenylethers. These values were compared to literature values. Mass fraction-based chemical activity coefficients (γ) were determined in each phase and showed that for each chemical, the micelles and LDPE had nearly identical affinity.

  1. Estimation of octanol/water partition coefficients using LSER parameters

    USGS Publications Warehouse

    Luehrs, Dean C.; Hickey, James P.; Godbole, Kalpana A.; Rogers, Tony N.

    1998-01-01

    The logarithms of octanol/water partition coefficients, logKow, were regressed against the linear solvation energy relationship (LSER) parameters for a training set of 981 diverse organic chemicals. The standard deviation for logKow was 0.49. The regression equation was then used to estimate logKow for a test of 146 chemicals which included pesticides and other diverse polyfunctional compounds. Thus the octanol/water partition coefficient may be estimated by LSER parameters without elaborate software but only moderate accuracy should be expected.

  2. A Convolution Algorithm of Differential Coefficients of liquid water Based on Vibrational Raman Scattering

    NASA Astrophysics Data System (ADS)

    Han, Dong; Chen, Liangfu; Tao, Jinhua; Su, Lin; Li, Shenshen; Yu, Chao; Yan, Huanhuan

    Inelastic Vibrational Raman Scattering (VRS) by liquid water is one significant limitation to the accuracy of the retrieval of trace gas constituents in atmosphere over waters, particularly over clear ocean waters, while using satellite data with Differential Optical Absorption Spec-troscopy technique (DOAS).The effect which is similar to the Ring effect in atmosphere results in the filling in of Fraunhofer lines, which is known as solar absorption lines. The inelastic component of the liquid water scattering causes a net increase of radiance in the line because more radiation is shifted to the wavelength of an absorption line than shifted from this wave-length to other wavelengths. The spectrum at the top of the atmosphere over land measured by OMI (Ozone Monitoring Instrument)/AURA is convolved with Vibrational Raman Scat-tering coefficients of liquid water, divided by the original measured spectrum, with a cubic polynomial subtracted off, to create differential water Ring spectrum. The OMI spectrum over land is chosen to avoid the effect of VRS by liquid water. This method has been suggested in order to obtain an effective differential water Ring coeffients for the DOAS fitting process.The differential water Ring spectrum could be used to improve the accuracy of the retrieval of the trace gases concentration. The method is not relying on RTM, which would be time-consuming and depending on lot of parameters. Therefore, it is very fast and convenient.

  3. The influence of water mixtures on the dermal absorption of glycol ethers

    SciTech Connect

    Traynor, Matthew J.; Wilkinson, Simon C.; Williams, Faith M. . E-mail: F.M.Williams@ncl.ac.uk

    2007-01-15

    Glycol ethers are solvents widely used alone and as mixtures in industrial and household products. Some glycol ethers have been shown to have a range of toxic effects in humans following absorption and metabolism to their aldehyde and acid metabolites. This study assessed the influence of water mixtures on the dermal absorption of butoxyethanol and ethoxyethanol in vitro through human skin. Butoxyethanol penetrated human skin up to sixfold more rapidly from aqueous solution (50%, 450 mg/ml) than from the neat solvent. Similarly penetration of ethoxyethanol was increased threefold in the presence of water (50%, 697 mg/ml). There was a corresponding increase in apparent permeability coefficient as the glycol ether concentration in water decreased. The maximum penetration rate of water also increased in the presence of both glycol ethers. Absorption through a synthetic membrane obeyed Fick's Law and absorption through rat skin showed a similar profile to human skin but with a lesser effect. The mechanisms for this phenomenon involves disruption of the stratum corneum lipid bilayer by desiccation by neat glycol ether micelles, hydration with water mixtures and the physicochemical properties of the glycol ether-water mixtures. Full elucidation of the profile of absorption of glycol ethers from mixtures is required for risk assessment of dermal exposure. This work supports the view that risk assessments for dermal contact scenarios should ideally be based on absorption data obtained for the relevant formulation or mixture and exposure scenario and that absorption derived from permeability coefficients may be inappropriate for water-miscible solvents.

  4. Temperature and pressure dependence of dichloro-difluoromethane (CF2C12) absorption coefficients for CO2 waveguide laser radiation

    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.

  5. A comparison study of linear reconstruction techniques for diffuse optical tomographic imaging of absorption coefficient

    NASA Astrophysics Data System (ADS)

    Gaudette, Richard J.; Brooks, Dana H.; Di Marzio, Charles A.; Kilmer, Misha E.; Miller, Eric L.; Gaudette, Thomas; Boas, David A.

    2000-04-01

    We compare, through simulations, the performance of four linear algorithms for diffuse optical tomographic reconstruction of the three-dimensional distribution of absorption coefficient within a highly scattering medium using the diffuse photon density wave approximation. The simulation geometry consisted of a coplanar array of sources and detectors at the boundary of a half-space medium. The forward solution matrix is both underdetermined, because we estimate many more absorption coefficient voxels than we have measurements, and ill-conditioned, due to the ill-posedness of the inverse problem. We compare two algebraic techniques, ART and SIRT, and two subspace techniques, the truncated SVD and CG algorithms. We compare three-dimensional reconstructions with two-dimensional reconstructions which assume all inhomogeneities are confined to a known horizontal slab, and we consider two `object-based' error metrics in addition to mean square reconstruction error. We include a comparison using simulated data generated using a different FDFD method with the same inversion algorithms to indicate how our conclusions are affected in a somewhat more realistic scenario. Our results show that the subspace techniques are superior to the algebraic techniques in localization of inhomogeneities and estimation of their amplitude, that two-dimensional reconstructions are sensitive to underestimation of the object depth, and that an error measure based on a location parameter can be a useful complement to mean squared error.

  6. Spectral absorption coefficients of argon and silicon and spectral reflectivity of aluminum

    NASA Technical Reports Server (NTRS)

    Krascella, N. L.

    1972-01-01

    A theoretical investigation was conducted to estimate the spectral properties of argon as a function of pressure, temperature, and wave number. The spectral characteristics of the argon buffer gas exert a strong influence on radiative energy transfer in the in-reactor test configuration of the nuclear light bulb engine. An existing computer program was modified and used to calculate the spectral absorption coefficients of argon at total pressures of 50, 100, 250, 500, 750 and 1000 atm in the temperature interval between 1000 and 30,000 K. At each pressure and temperature, spectral properties were calculated for forty-seven wave numbers in the interval between 1000 and 1,000,000 cm/1. Estimates of the spectral absorption coefficients of silicon were made as part of an evaluation of silicon vapor as a possible buffer-gas seeding agent for the reference nuclear light bulb engine. Existing cross-section data were used to calculate the spectral characteristics of silicon at twenty-four temperatures in the interval between 2000 and 10,000 K.

  7. Modeling the cumulative distribution of absorption coefficients of gases using the generalized k-moment method

    NASA Astrophysics Data System (ADS)

    André, Frédéric; Solovjov, Vladimir; Vaillon, Rodolphe; Lemonnier, Denis

    2013-07-01

    The generalized k-moment method is formulated in terms of Cutteridge-Devyatov polynomials (CDP). In this novel approach, the moments involved are spectral averages of integer powers of the logarithm of the absorption coefficient. The technique to obtain k-distributions from those generalized moments is detailed both theoretically and from a practical point of view. Its outputs are afterward assessed against reference data in several test cases of increasing complexity. Indeed, the first ones involve single lines in the Lorentz, Doppler and Voigt regimes. The most sophisticated situations investigated in this work concern applications of the method to high resolution LBL data for pure CO2 at temperatures between 300K and 2300K and at atmospheric pressure. In any case, the CDP solution to the generalized k-moment problem is found to provide very accurate results. The present technique outperforms our previous approach to k-moment modeling of the cumulative distribution of absorption coefficients of gases that were based on first, second, first inverse and logarithmic moments, in all the situations investigated. Equations required to apply the model are provided in the paper, both over narrow bands and the full spectrum.

  8. Intestinal Water Absorption Varies with Expected Dietary Water Load among Bats but Does Not Drive Paracellular Nutrient Absorption.

    PubMed

    Price, Edwin R; Brun, Antonio; Gontero-Fourcade, Manuel; Fernández-Marinone, Guido; Cruz-Neto, Ariovaldo P; Karasov, William H; Caviedes-Vidal, Enrique

    2015-01-01

    Rapid absorption and elimination of dietary water should be particularly important to flying species and were predicted to vary with the water content of the natural diet. Additionally, high water absorption capacity was predicted to be associated with high paracellular nutrient absorption due to solvent drag. We compared the water absorption rates of sanguivorous, nectarivorous, frugivorous, and insectivorous bats in intestinal luminal perfusions. High water absorption rates were associated with high expected dietary water load but were not highly correlated with previously measured rates of (paracellular) arabinose clearance. In conjunction with these tests, we measured water absorption and the paracellular absorption of nutrients in the intestine and stomach of vampire bats using luminal perfusions to test the hypothesis that the unique elongated vampire stomach is a critical site of water absorption. Vampire bats' gastric water absorption was high compared to mice but not compared to their intestines. We therefore conclude that (1) dietary water content has influenced the evolution of intestinal water absorption capacity in bats, (2) solvent drag is not the only driver of paracellular nutrient absorption, and (3) the vampire stomach is a capable but not critical location for water absorption.

  9. PARTITION COEFFICIENTS FOR METALS IN SURFACE WATER, SOIL, AND WASTE

    EPA Science Inventory

    This report presents metal partition coefficients for the surface water pathway and for the source model used in the Multimedia, Multi-pathway, Multi-receptor Exposure and Risk Assessment (3MRA) technology under development by the U.S. Environmental Protection Agency. Partition ...

  10. Measuring absorption coefficient of scattering liquids using a tube inside an integrating sphere.

    PubMed

    Villanueva, Yolanda; Veenstra, Colin; Steenbergen, Wiendelt

    2016-04-10

    A method for measuring the absorption coefficient μa 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-1a<1.55  mm-1) and 1.0 vol.% (1.0  mm-1a<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 μa and μs 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 μa values are higher for samples with low scattering and lower for those with high scattering. At wavelengths above 700 nm, measured μa 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.

  11. Highly Dynamic Ligand Binding and Light Absorption Coefficient of Cesium Lead Bromide Perovskite Nanocrystals.

    PubMed

    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.

  12. 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.

  13. Anomalous atmospheric absorption spectra due to water dimer

    NASA Astrophysics Data System (ADS)

    Cai, Peipei; Zhang, Hansheng; Shen, Shanxiong; Cheng, I.-Shan

    1986-11-01

    The anomalous atmospheric absorption spectra in the window wavelength region of 8-14 microns have been suggested due to the water dimer. Based on laboratory measurements, water continuum CO2 laser absorption spectra and a resonance absorption line due to the weak local wave vapor pure rotational transition have been reported. The equilibrium concentration of water dimers in the atmosphere, the electronic binding energy and the theoretical calculations for absorption attenuation have been obtained in agreement with published data.

  14. Polymer-water partition coefficients in polymeric passive samplers.

    PubMed

    Asgarpour Khansary, Milad; Shirazian, Saeed; Asadollahzadeh, Mehdi

    2017-01-01

    Passive samplers are of the most applied methods and tools for measuring concentration of hydrophobic organic compounds in water (c 1(W) ) in which the polymer-water partition coefficients (D) are of fundamental importance for reliability of measurements. Due to the cost and time associated with the experimental researches, development of a predictive method for estimation and evaluation of performance of polymeric passive samplers for various hydrophobic organic compounds is highly needed and valuable. For this purpose, in this work, following the fundamental chemical thermodynamic equations governing the concerned local equilibrium, successful attempts were made to establish a theoretical model of polymer-water partition coefficients. Flory-Huggins model based on the Hansen solubility parameters was used for calculation of activity coefficients. The method was examined for reliability of calculations using collected data of three polymeric passive samplers and ten compounds. A regression model of form ln(D) = 0.707ln(c 1(p) ) - 2.7391 with an R (2)  = 0.9744 was obtained to relate the polymer-water partition coefficients (D) and concentration of hydrophobic organic compounds in passive sampler (c 1(p) ). It was also found that polymer-water partition coefficients are related to the concentration of hydrophobic organic compounds in water (c 1(W) ) as ln(D) = 2.412ln(c 1(p) ) - 9.348. Based on the results, the tie lines of concentration for hydrophobic organic compounds in passive sampler (c 1(p) ) and concentration of hydrophobic organic compounds in water (c 1(W) ) are in the form of ln(c 1(W) ) = 0.293ln(c 1(p) ) + 2.734. The composition of water sample and the interaction parameters of dissolved compound-water and dissolved compound-polymer, temperature, etc. actively influence the values of partition coefficient. The discrepancy observed over experimental data can be simply justified based on the local condition of sampling sites which alter

  15. Determination of Scattering and Absorption Coefficients for Plasma-Sprayed Yttria-Stabilized Zirconia Thermal Barrier Coatings at Elevated Temperatures

    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."

  16. Overall Heat and Mass Transfer Coefficient of Water Vapor Adsorption

    NASA Astrophysics Data System (ADS)

    Hamamoto, Yoshinori; Mori, Hideo; Godo, Masazumi; Miura, Kunio; Watanabe, Yutaka; Ishizawa, Toshihiko; Takatsuka, Takeshi

    A fundamental investigation was performed to develop a compact and simple desiccant ventilation unit which is one of the main components of a novel energy saving air-conditioning system. Water vapor in the air is adsorbed and/or desorbed to be controlled the humidity of supply air through a unit of an adsorbent rotor. A numerical simulation helps to understand the phenomena of heat and mass transfer in the rotor block. Overall transfer coefficients were estimated by performing both experiment and calculation. It was examined that the transient overall equivalent heat and mass transfer coefficient was not constant. It seems that both film fluid and diffusion resistance govern the coefficients in the block, and the influence of air flow on the time averaged coefficients is estimated by a considering the laminar forced convection from a flat plate. There is little difference of the coefficient between adsorption and desorption process. The correlation and fitting parameters are presented for prediction of the overall heat and mass transfer coefficients. The estimation accuracy was improved.

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

    PubMed

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

    2007-09-01

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

  18. Experimental investigation of X-ray spectral absorption coefficients in heated Al and Ge on the Iskra-5 laser facility

    SciTech Connect

    Bondarenko, S V; Garanin, Sergey G; Zhidkov, N V; Pinegin, A V; Suslov, N A

    2012-01-31

    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.

  19. The Optical Absorption Coefficient of Maize Grains Investigated by Photoacoustic Spectroscopy

    NASA Astrophysics Data System (ADS)

    Rodríguez-Páez, C. L.; Carballo-Carballo, A.; Rico-Molina, R.; Hernández-Aguilar, C.; Domínguez-Pacheco, A.; Cruz-Orea, A.; Moreno-Martínez, E.

    2017-01-01

    In the maize and tortilla industry, it is important to characterize the color of maize ( Zea mays L.) grain, as it is one of the attributes that directly affect the quality of the tortillas consumed by the population. For this reason, the availability of alternative techniques for assessing and improving the quality of grain is valued. Photoacoustic spectroscopy has proven to be a useful tool for characterizing maize grain. So, the objective of the present study was to determine the optical absorption coefficient β of the maize grain used to make tortillas from two regions of Mexico: (a) Valles Altos, 2012-2013 production cycle and (b) Guasave, Sinaloa, 2013-2014 production cycle. Traditional reflectance measurements, physical characteristics of the grain and nutrient content were also calculated. The experimental results show different characteristics for maize grains.

  20. Measurement of acoustic absorption coefficient with phase-conjugate ultrasonic waves

    NASA Astrophysics Data System (ADS)

    Smagin, N. V.; Krutyansky, L. M.; Brysev, A. P.; Bunkin, F. V.

    2011-07-01

    Experimental results on measurements of the acoustic absorption coefficient in test objects that were obtained with two methods, i.e., a standard insert-substitution method and a modification thereof using phase-conjugate waves, are given. Samples of gelatin and biological tissue in vitro (porcine muscle fibers) were used as test objects. Gelatin objects were manufactured that were both homogeneous and with inhomogeneities in the form of a rough surface or inclusions (air bubbles) distributed over the volume. A rough surface leads mainly to phase distortions of a probe beam, while bubble inclusions cause additional field scattering. For all homogeneous samples, both compared methods produce identical results. In the case of inhomogeneous samples including biological tissues, absorption measurement by a standard method may lead to significant errors. It is demonstrated that the use of properties of phase-conjugate waves provides an opportunity to eliminate almost completely the measurement error connected with phase distortions and reduce the error in the case of a medium with scatterers.

  1. Two-dimensional poroelastic acoustical foam shape design for absorption coefficient maximization by topology optimization method.

    PubMed

    Lee, Joong Seok; Kim, Yoon Young; Kim, Jung Soo; Kang, Yeon June

    2008-04-01

    Optimal shape design of a two-dimensional poroelastic acoustical foam is formulated as a topology optimization problem. For a poroelastic acoustical system consisting of an air region and a poroelastic foam region, two different physical regions are continuously changed in an iterative design process. To automatically account for the moving interfaces between two regions, we propose a new unified model to analyze the whole poroelastic acoustical foam system with one set of governing equations; Biot's equations are modified with a material property interpolation from a topology optimization method. With the unified analysis model, we carry out two-dimensional optimal shape design of a poroelastic acoustical foam by a gradient-based topology optimization setting. The specific objective is the maximization of the absorption coefficient in low and middle ranges of frequencies with different amounts of a poroelastic material. The performances of the obtained shapes are compared with those of well-known wedge shapes, and the improvement of absorption is physically interpreted.

  2. Study of the absorption coefficient of alpha particles to lower hybrid waves in tokamak

    SciTech Connect

    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.

  3. Transient absorption of vibrationally excited water

    NASA Astrophysics Data System (ADS)

    Bakker, H. J.; Nienhuys, H.-K.; Gallot, G.; Lascoux, N.; Gale, G. M.; Leicknam, J.-C.; Bratos, S.

    2002-02-01

    We study the spectral response of the transition between the first and the second excited state of the O-H stretch vibration of HDO dissolved in liquid D2O with two-color femtosecond mid-infrared spectroscopy. The spectral response of this transition differs strongly from the fundamental absorption spectrum of the O-H stretch vibration. In addition, excitation of the O-H stretch vibration is observed to lead to a change of the hydrogen-bond dynamics of liquid water. We show that both these observations can be described with a refined quantum-mechanical version of the Lippincott-Schroeder model for hydrogen-bonded OH⋯O systems.

  4. Approximating the near-edge mass absorption coefficients for Ni using an ultra-thin bimetal foil

    DOE PAGES

    Alkire, Randall W.

    2016-11-01

    In an effort to improve the characteristics of a fluorescing metal-foil-based beam position monitor, a new bimetal ultra-thin (0.98/0.67 µm) Ti–Ni foil was introduced to replace an existing single-element ultra-thin 0.5 µm thick Cr foil. During characterization it was determined that absorption measurements on the bimetal foil could be used to fit the Ni mass absorption coefficients accurately in the vicinity of the NiKedge. Comparison with experimental results from the literature demonstrated that the fitting procedure produced coefficients with uncertainties of the order of ±1%. Once determined, these fit coefficients allowed the thickness of an independently mounted 8 µm thickmore » Ni foil to be computed from absorption measurements instead of relying on a tool-based measurement of the foil thickness. Using the 8 µm thick foil, a continuous map of Ni mass absorption coefficients was produced at 1 eV resolution throughout the near-edge region. Lastly, this high-resolution map marks a significant improvement over the existing NIST XCOM or FFAST database mass absorption coefficients, which have estimated errors of 10–20% for the near-edge region.« less

  5. Approximating the near-edge mass absorption coefficients for Ni using an ultra-thin bimetal foil

    SciTech Connect

    Alkire, Randall W.

    2016-11-01

    In an effort to improve the characteristics of a fluorescing metal-foil-based beam position monitor, a new bimetal ultra-thin (0.98/0.67 µm) Ti–Ni foil was introduced to replace an existing single-element ultra-thin 0.5 µm thick Cr foil. During characterization it was determined that absorption measurements on the bimetal foil could be used to fit the Ni mass absorption coefficients accurately in the vicinity of the NiKedge. Comparison with experimental results from the literature demonstrated that the fitting procedure produced coefficients with uncertainties of the order of ±1%. Once determined, these fit coefficients allowed the thickness of an independently mounted 8 µm thick Ni foil to be computed from absorption measurements instead of relying on a tool-based measurement of the foil thickness. Using the 8 µm thick foil, a continuous map of Ni mass absorption coefficients was produced at 1 eV resolution throughout the near-edge region. Lastly, this high-resolution map marks a significant improvement over the existing NIST XCOM or FFAST database mass absorption coefficients, which have estimated errors of 10–20% for the near-edge region.

  6. Analytical modeling of photon absorption coefficient in mono and bilayer circular graphene quantum dots for light absorber applications

    NASA Astrophysics Data System (ADS)

    Tamandani, Shahryar; Darvish, Ghafar

    2017-02-01

    We present an analytical method to calculate photon absorption coefficient in mono and bilayer circular graphene quantum dots (CGQDs). We use kobo equation to extract new closed relation as the main goal. First, we calculate real and imaginary part of optical conductance separately. Then, joint density of states is obtained using a new relation that was extracted for the energy levels of mono and bilayer circular grapheme quantum dots. In this work we use closed equations to calculate energy levels in CGQDs. Next we obtain a new closed formula to calculate the photon absorption coefficient. The results show that the absorption coefficient is related to the size of CGQDs and number of layers. The photon absorption coefficient becomes lower with larger size of CGQDs. It is seen that the results of our method is compatible with the results of practical works. We also compare photon absorption in biased and unbiased bilayer CGQDs and investigate the effect of external magnetic field on photon absorption. rights reserved

  7. A new method to retrieve spectral absorption coefficient of highly-scattering and weakly-absorbing materials

    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.

  8. Octanol Water Partition Coefficients of Surface and Ground Water Contaminants Found at Military Installations

    DTIC Science & Technology

    1989-11-01

    and salt solutions. In Draft. 17. Wasik, S.P. 1978. Partition of Organoelements in Octanol/ Water /Air Systems. A.C.S. Syrnp. Ser. Organometallics and...relationship between N-octanol/ water partition coefficient and bloaccunulation of organic chemicals by Alga Chlorella . Chemosphere 13(2):269-284. 24...A D TECHNICAL REPORT 88-10 OCTANO. WATER PARTITION COEFFICIENTS OF SURFACE AND GROUND WATER CONTAMINANTS FOUND AT MILITARY INSTALLATIONS (0 MICHAEL A

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

    NASA Astrophysics Data System (ADS)

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

    1996-05-01

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

  10. Measurement of attenuation coefficients of the fundamental and second harmonic waves in water

    NASA Astrophysics Data System (ADS)

    Zhang, Shuzeng; Jeong, Hyunjo; Cho, Sungjong; Li, Xiongbing

    2016-02-01

    Attenuation corrections in nonlinear acoustics play an important role in the study of nonlinear fluids, biomedical imaging, or solid material characterization. The measurement of attenuation coefficients in a nonlinear regime is not easy because they depend on the source pressure and requires accurate diffraction corrections. In this work, the attenuation coefficients of the fundamental and second harmonic waves which come from the absorption of water are measured in nonlinear ultrasonic experiments. Based on the quasilinear theory of the KZK equation, the nonlinear sound field equations are derived and the diffraction correction terms are extracted. The measured sound pressure amplitudes are adjusted first for diffraction corrections in order to reduce the impact on the measurement of attenuation coefficients from diffractions. The attenuation coefficients of the fundamental and second harmonics are calculated precisely from a nonlinear least squares curve-fitting process of the experiment data. The results show that attenuation coefficients in a nonlinear condition depend on both frequency and source pressure, which are much different from a linear regime. In a relatively lower drive pressure, the attenuation coefficients increase linearly with frequency. However, they present the characteristic of nonlinear growth in a high drive pressure. As the diffraction corrections are obtained based on the quasilinear theory, it is important to use an appropriate source pressure for accurate attenuation measurements.

  11. Absorption Coefficient, Molecular Composition, and Photodegradation of Different Types of Brown Carbon Aerosols

    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

  12. Reduction of the bulk absorption coefficient in silicon optics for high-energy lasers through defect engineering.

    PubMed

    Goodman, W A; Goorsky, M S

    1995-06-20

    We engineered a factor-of-4 reduction in the bulk absorption coefficient over the 2.6-to-3.0-µm bandwidth in single-crystal Czochralski silicon optics for high-energy infrared lasers with high-temperature annealing treatments. Defect engineering adapted from the integrated circuit industry has been used to reduce the absorption coefficient across the 1.5-to-5-µm bandwidth for substrates up to 5 cm thick. A high-temperature oxygen-dispersion anneal dissolves precipitates and thermal donors that are present in the as-grown material. The process has been verified experimentally with Fourier transform infrared spectroscopy, infrared laser calorimetry, and Hall measurements. Reduction of the absorption coefficient results in less substrate heating and thermal distortion of the optical surface. The process is appropriate for other silicon infrared optics applications such as thermal-imaging systems, infrared windows, and spectrophotometers.

  13. [Phytoplankton Light Absorption Properties During the Blooms in Adjacent Waters of the Changjiang Estuary].

    PubMed

    Liu, Yang-yang; Shen, Fang; Li, Xiu-zhen

    2015-06-01

    Phytoplankton dominant species and their light absorption properties during the blooms occurred in August 2013 in adjacent waters of the Changjiang Estuary were analyzed. The results showed that phytoplankton blooms broke out in 10 out of 34 investigation stations, among which diatom blooms occurred in 6 stations while 3 stations were predominated by dinoflagellate. Phytoplankton absorption coefficients of both bloom and non-bloom waters exhibited large variations, with respective ranges of 0.199-0.832 m(-1) and 0.012-0.109 m(-1), while phytoplankton specific absorption coefficients spanned much narrower range, with the average values of bloom and non-bloom waters being 0.023 and 0.035 m2 x mg(-1), respectively. When transitioned from bloom to non-bloom waters, the proportion of phytoplankton with larger cell size lowered while that of smaller phytoplankton elevated, causing a less extent of package effect and thus higher specific absorption coefficients. Distinctive absorption spectra were observed between different types of bloom (such as diatom and dinoflagellate blooms) with similar phytoplankton cell size, mostly attributed to distinctive accessory pigment composition. The ratios of diadinoxanthin and chlorophyll-c2 concentrations to chlorophyll-a concentration in dinoflagellate blooms were higher than those in diatom blooms, which largely contributed to the shoulder peaks at 465 nm in dinoflagellate blooms.

  14. Remote Sensing of the Absorption Coefficients and Chlorophyll a Concentration in the U.S. Southern Middle Atlantic Bight from SeaWiFS and MODIS-Aqua

    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.

  15. Absorption coefficients for the 6190-A CH4 band between 290 and 100 K with application to Uranus' atmosphere

    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.

  16. Absorption coefficients for the 6190-A CH sub 4 band between 290 and 100 K with application to Uranus' atmosphere

    SciTech Connect

    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.

  17. Temperature effects on dynamic water absorption into paper.

    PubMed

    Songok, Joel; Salminen, Pekka; Toivakka, Martti

    2014-03-15

    Mechanisms controlling short time water absorption and the effect of temperature on water absorption into paper were investigated by analyzing previously published data. A dynamic contact angle effect caused by contact line friction explained the liquid uptake dynamics at short times. The water absorption rate increase with temperature is suggested to be controlled by the molecular processes occurring in front of the advancing liquid front. The increase in the non-equilibrium vapor pressure at air-liquid interface leads to higher water molecule adsorption onto fibers and associated lowering of the solid-gas interfacial tension, thereby increasing the wetting velocity and water absorption. The classical Lucas-Washburn equation was found to be inadequate for predicting water absorption into paper both at short times and as a function of temperature.

  18. Air-water interface equilibrium partitioning coefficients of aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Cheng, Wen-Hsi; Chu, Fu-Sui; Liou, Jia-Jiunn

    The single equilibration technique was used to determine the equilibrium partitioning coefficients ( pc) of an air-water interface for target aromatic volatile organic compounds (VOCs), including benzene, toluene and ethylbenzene. The tested liquid concentrations ( CL) of VOC ranged from 0.5 to 20 mg/l, and the temperatures ( Tw) of the solutions were 300, 305, 310 and 315 K, respectively. The pc values were calculated using the gaseous concentrations ( Cg*) of aromatic hydrocarbons in equilibrium with the aqueous phase and the formula pc=( Cg*/ CL). The heats of VOC of liquid and gaseous phase transfer (Δ Htr) in pure water, and the highly linear regression relationship (with squared correlation coefficients, R2, from 0.900 to 0.999) between ( ln C g*) and (1/ Tw) are also evaluated. Experimental results indicated that the pc values of the target VOC components increase with Tw but, in contrast, are not significantly affected by CL in pure water. However, pc of more soluble compounds, like iso-propanol and methyl ethyl ketone, have been evaluated to be significant with CL in the earlier investigation. Finally, the co-solute effect on pc is also evaluated in this work, as determining pc of the aromatic hydrocarbons by using aqueous ethanol (in a volume ration of 1-15%) as solutes.

  19. Effect of water absorption on pollen adhesion.

    PubMed

    Lin, Haisheng; Lizarraga, Leonardo; Bottomley, Lawrence A; Carson Meredith, J

    2015-03-15

    Pollens possess a thin liquid coating, pollenkitt, which plays a major role in adhesion by forming capillary menisci at interfaces. Unfortunately, the influence of humidity on pollenkitt properties and capillary adhesion is unknown. Because humidity varies widely in the environment, the answers have important implications for better understanding plant reproduction, allergy and asthma, and pollen as atmospheric condensation nuclei. Here, pollenkitt-mediated adhesion of sunflower pollen to hydrophilic and hydrophobic surfaces was measured as a function of humidity. The results quantify for the first time the significant water absorption of pollenkitt and the resulting complex dependence of adhesion on humidity. On hydrophilic Si, adhesion increased with increasing RH for pollens with or without pollenkitt, up to 200nN at 70% RH. In contrast, on hydrophobic PS, adhesion of pollenkitt-free pollen is independent of RH. Surprisingly, when pollenkitt was present adhesion forces on hydrophobic PS first increased with RH up to a maximum value at 35% RH (∼160nN), and then decreased with further increases in RH. Independent measurement of pollenkitt properties is used with models of capillary adhesion to show that humidity-dependent changes in pollenkitt wetting and viscosity are responsible for this complex adhesion behavior.

  20. Optoelectronic properties of Mg{sub 2}Si semiconducting layers with high absorption coefficients

    SciTech Connect

    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.

  1. 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.

  2. Spectral absorption properties of colored dissolved organic matter (CDOM) and total suspended matter (TSM) of inland waters

    NASA Astrophysics Data System (ADS)

    Song, Kaishan; Liu, Dianwei; Li, Lin; Wang, Zongming; Wang, Yuandong; Jiang, Guangjia

    2010-08-01

    Spectral absorption properties of total suspended matter (TSM) and colored dissolved organic matter (CDOM) are important for the use of the bio-optical model to estimate water quality parameters. This study aims to investigate the variation in the absorption coefficients of TSM and CDOM of inland waters. A total of 92 water samples were collected from Shitoukoumen Reservoir and Songhua Lake in Northeast China, analyzed for TSM and Chl-a, and measured for the absorption coefficient of TSM, CDOM and total pigments using a laboratory spectrophotometer. The absorption coefficient of TSM has been decomposed for phytoplankton and inorganic sediments. The results show that for Shitoukoumen Reservoir, CDOM has strong absorptions with shallow absorption slopes (i.e., the coefficient S in a(λ)=a(λ0)exp[-S(λ- λ0)]) and large absorption at 355 nm; and for Songhua Lake, CDOM follows similar spectral absorption curves but less variation in the S value. The results also show TSM has the average absorption coefficient 5.7 m-1 at 440 nm and 0.93 m-1 at 675 nm, and their concentration is well correlated to TSM with R2 larger than 0.85 at 440 nm over both Songhu Lake and Shitoukoumen Reservoir. In summer, CDOM was mainly terrigenous and had a high proportion of humic acid derived from the decomposition of phytoplankton and there were no obvious difference of S value. The results indicate that inorganic sediments contributed much more absorption than phytoplankton pigments in Shitoukoumen Reservoir than that in Songhua Lake, and there is strong association of TSM concentration to absorption coefficient at 440 nm.

  3. Water absorption properties of ultrasonic treated brown rice

    Technology Transfer Automated Retrieval System (TEKTRAN)

    To understand the effect of ultrasonic treated on brown rice, it is important to research the water absorption processing of brown rice before and after ultrasonic treatment. The objective of this study was investigate and modeling water absorption characteristics of brown rice using Peleg’s equatio...

  4. Effects of suspended sediment concentration on the absorption and scattering coefficients

    NASA Astrophysics Data System (ADS)

    Terrie, Gregory E.; Ladner, Sherwin; Gould, Richard A., Jr.

    1997-02-01

    The scattering coefficient (b) for the nearshore waters off the coast of North Carolina near Camp Lejeune is strongly influenced by suspended sediment concentration and total particulate cross-sectional area (xg). In-situ measurements of a and b were made using a WET Labs AC9 meter. Estimates of suspended sediment concentration and total particulate cross-sectional area were determined from laser particle size analyses of surface water samples. The SeaWiFS bio-optical algorithm was modified for Case II waters and used to estimate a and bb from remote sensing reflectance (Rrs). After conversion from backscattering (bb) to total scattering (b), modeled a and b values from the modified SeaWiFS algorithm were compared to the measured values. The differences between the measured and estimated values appear to be directly related to increases in suspended sediment concentration and xg. Correlations of about 0.90 were obtained for b vs xg and bb vs xg.

  5. Water absorption of poly(methyl methacrylate) containing 4-methacryloxyethyl trimellitic anhydride.

    PubMed

    Unemori, Masako; Matsuya, Yoko; Matsuya, Shigeki; Akashi, Akane; Akamine, Akifumi

    2003-04-01

    The amount of water absorption of poly(methyl methacrylate) (PMMA) containing 0, 1, 3 and 5 wt% of an adhesive monomer, 4-methacryloxyethyl trimellitic anhydride (4-META), was measured at 7 degrees C, 37 degrees C and 60 degrees C. After the water uptake reached equilibrium in specimens, they were desorbed to obtain a constant value and the absorption process was repeated. Mass changes in the second desorption were recorded for the storage temperatures of 37 degrees C and 60 degrees C. Multiple regression analyses were conducted on three independent variables, 4-META concentration, storage temperature and absorption-desorption cycle. A statistically significant relationship was found between the maximum water uptake and 4-META concentration, while there was no relationship between the maximum water uptake and diffusion coefficient obtained using the Fick's law. The negative relationship in the latter did not support the free space theory. The significant and positive relationship between the maximum water uptake and 4-META concentration demonstrates that water molecules diffuse through the formation of a hydrogen bond at polar sites. The maximum water uptake was not influenced by temperature, while the diffusion coefficient increased with the rise in temperature. The activation energy was 41-47 and 50-53 kJ/mol in the first and second absorption tests, respectively.

  6. Linear absorption coefficient of beryllium in the 50-300-A wavelength range. [bandpass filter materials for ultraviolet astronomy instrumentation

    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.

  7. Effect of absorption parameters on calculation of the dose coefficient: example of classification of industrial uranium compounds.

    PubMed

    Chazel, V; Houpert, P; Paquet, F; Ansoborlo, E

    2001-01-01

    In the Human Respiratory Tract Model (HRTM) described in ICRP Publication 66, time-dependent dissolution is described by three parameters: the fraction dissolved rapidly, fr, and the rapid and slow dissolution rates sr and ss. The effect of these parameters on the dose coefficient has been studied. A theoretical analysis was carried out to determine the sensitivity of the dose coefficient to variations in the values of these absorption parameters. Experimental values of the absorption parameters and the doses per unit intake (DPUI) were obtained from in vitro dissolution tests, or from in vivo experiments with rats, for five industrial uranium compounds UO2, U3O8, UO4, UF4 and a mixture of uranium oxides. These compounds were classified in terms of absorption types (F, M or S) according to ICRP. The overall result was that the factor which has the greatest influence on the dose coefficient was the slow dissolution rate ss. This was verified experimentally, with a variation of 20% to 55% for the DPUI according to the absorption type of the compound. In contrast, the rapid dissolution rate sr had little effect on the dose coefficient, excepted for Type F compounds.

  8. ABSORBANCE, ABSORPTION COEFFICIENT, AND APPARENT QUANTUM YIELD: A COMMENT ON AMBIGUITY IN THE USE OF THESE OPTICAL CONCEPTS

    EPA Science Inventory

    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...

  9. Influence of plasma parameters on the absorption coefficient of alpha particles to lower hybrid waves in tokamaks

    SciTech Connect

    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.

  10. OCTANOL/WATER PARTITION COEFFICIENTS AND WATER SOLUBILITIES OF PHTHALATE ESTERS

    EPA Science Inventory

    Measurements of the octanol/water partition coefficients (K-ow) and water solubilities of di-n-octyl phthalate (DnOP) and di-n-decyl phthalate (DnDP) by the slow-stirring method are reported. The water solubility was also measured for di-n-hexyl phthalate (DnHP). The log K-ow val...

  11. Specific absorption coefficient and phytoplankton biomass in the southern region of the California Current

    NASA Astrophysics Data System (ADS)

    Millán-Núñez, Eduardo; Sieracki, Michael E.; Millán-Núñez, Roberto; Lara-Lara, José Rubén; Gaxiola-Castro, Gilberto; Trees, Charles C.

    2004-03-01

    In recent years, experts of optical hydrology have shown great interest in the variability of the specific absorption coefficient of light by phytoplankton (aph*). This parameter is important and necessary for comparing in situ bio-optical and satellite optical measurements. Such comparisons are needed for detecting primary productivity at a mesoscale level. At present, however, the parameters used in algorithms for predicting productivity are global averages. To avoid this bias, we measured the spatial-temporal variability of aph* as part of the Jan-01 Investigaciones Mexicanas de la Corriente de California cruise along the southern California Current. We observed median values of 0.041 m2 (mg chlorophyll a (Chl a))-1 at 440 nm and 0.015 at 674 nm, with significant differences between inshore and offshore stations. In general, the stations located in the area of Bahía Vizcaíno, with oceanographic conditions favorable for the growth of phytoplankton, showed lower values of the aph* . The nano-microphytoplankton (>5 μm) community comprised of 26 diatom genera with mean abundance values of the 19.5×103 cells l-1. Nitzschia closterium, a pennate diatom, was almost uniform throughout the study region. Flow cytometry measurements indicated that the picoplankton (<5 μm) community consisted of two prokaryotes, Prochlorococcus (mean 3.6×106 cells l-1) and Synechococcus (mean 10.4×106 cells l-1), and a mixture of picoeukaryotes (mean 6.5×106 cells l-1). Analyses of Chl and carotenoid pigments determined by high-performance liquid chromatographic confirmed the presence of the divinyl Chl a characteristic of Prochlorococcus. The nano-micro- and picoplankton were 82% and 18% of total phytoplankton biomass (μg C l-1), respectively. In general, we concluded that the phytoplankton community structure and biomass on this cruise showed conditions similar to oligotrophic systems.

  12. Contact sponge water absorption test implemented for in situ measures

    NASA Astrophysics Data System (ADS)

    Gaggero, Laura; Scrivano, Simona

    2016-04-01

    The contact sponge method is a non-destructive in-situ methodology used to estimate a water uptake coefficient. The procedure, unlike other in-situ measurement was proven to be directly comparable to the water uptake laboratory measurements, and was registered as UNI 11432:2011. The UNI Normal procedure requires to use a sponge with known density, soaked in water, weighed, placed on the material for 1 minute (UNI 11432, 2011; Pardini & Tiano, 2004), then weighed again. Difficulties arise in operating on test samples or on materials with porosity varied for decay. While carrying on the test, fluctuations in the bearing of the environmental parameters were negligible, but not the pressure applied to the surface, that induced the release of different water amounts towards the material. For this reason we designed a metal piece of the same diameter of the plate carrying the sponge, to be screwed at the tip of a pocket penetrometer. With this instrument the sponge was kept in contact with the surface for 1 minute applying two different loads, at first pushed with 0.3 kg/cm2 in order to press the sponge, but not its holder, against the surface. Then, a load of 1.1 kg/ cm2 was applied, still avoiding deviating the load to the sponge holder. We applied both the current and our implemented method to determine the water absorption by contact sponge on 5 fresh rock types (4 limestones: Fine - and Coarse grained Pietra di Vicenza, Rosso Verona, Breccia Aurora, and the silicoclastic Macigno sandstone). The results show that 1) the current methodology imply manual skill and experience to produce a coherent set of data; the variable involved are in fact not only the imposed pressure but also the compression mechanics. 2) The control on the applied pressure allowed reproducible measurements. Moreover, 3) the use of a thicker sponge enabled to apply the method even on rougher surfaces, as the device holding the sponge is not in contact with the tested object. Finally, 4) the

  13. Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring

    DTIC Science & Technology

    2016-03-31

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9675 Absorption-Edge-Modulated Transmission Spectra for Water Contaminant...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring...Unlimited Unclassified Unlimited 35 Samuel G. Lambrakos (202) 767-2601 Monitoring of contaminants associated with specific water resources using

  14. Mixing coefficients for subchannel analyses with supercritical water

    SciTech Connect

    Vogt, Bastian; Laurien, Eckart; Class, Andreas G.; Schulenberg, Thomas

    2007-07-01

    This paper is related to pressure drop and mixing correlations which are used in subchannel codes. The commercial CFD code STAR-CD has been applied for central subchannels of a supercritical water reactor fuel assembly design. First, pressure drop coefficients for cross flow have been evaluated for this geometry using steady state calculations. Different from established correlations for cross flow in rod bundles, the effects of strong axial flow in the bundle have been taken into account for the presented geometry, flow conditions and fluid properties. In the second part of the paper the unsteady RANS CFD-method is applied and assessed with respect to the prediction of flow pulsation phenomena and turbulent mixing. The results are compared with experimental correlations for the turbulent mixing coefficient and the flow pulsation frequency. It is found that the applied unsteady RANS method is able to predict the flow pulsation frequency but over-predicts the turbulent mixing by a factor of around 3.5. (authors)

  15. Octanol/water partition coefficient estimation without missing fragment problems

    SciTech Connect

    Meylan, W.; Howard, P.H.

    1994-12-31

    Atom/fragment contribution values, used to estimate the log octanol-water partition coefficient (log P) of organic compounds, have been determined for 125 simple chemical substructures by a multiple linear regression of 1175 compounds with measured log P values. An additional 1176 compounds were used to determine 230 ``correction factors`` for various substructure orientations. Log P of a compound is estimated by simply summing all atom-fragment contribution values and correction factors occurring in a chemical structure. For the 2351 compound training set, the correlation coefficient (r{sup 2}) for the estimated to measured log P values is 0.98 with a standard deviation (sd) of 0.22 and an absolute mean error (me) of 0.16. This atom/fragment contribution (AFC) method was then tested on a separate validation set of 6,055 measured log P value.% that were not used to derive the methodology, and yielded r{sup 2} of 0.94, ad of 0.41 and me of 0.31. The method is able to predict log P within {+-}0.8 log units for over 96% of the experimental dataset of 8,406 compounds. Because of the simple atom/fragment methodology, ``missing fragments`` (a problem encountered in other methods), does not occur in the AFC method. Statistically, it is superior to other comprehensive estimation methods.

  16. Measurement of the diffusion coefficient of sulfur hexafluoride in water

    NASA Astrophysics Data System (ADS)

    King, D. B.; Saltzman, E. S.

    1995-04-01

    Sulfur hexafluoride has been widely used in field studies and laboratory experiments to develop a relationship between gas transfer and wind speed. The interpretation of the data from such studies requires the diffusion coefficient of SF6 (DSF6), which has not previously been measured. In this study, DSF6 has been determined in pure water and in 35‰ NaCl over a temperature range of 5-25°C. The measurements were made using a continuous-flow diffusion cell where SF6 flows beneath an agar gel membrane while helium flows above the gel. The experimental data for pure water yielded the following equation: DSF6=0.029 exp (-19.3/RT, where R is the gas constant and T is temperature in kelvins). Measurements of DSF6 in 35‰ NaCl were not significantly different from the pure water values. On the basis of our data, we estimate the Schmidt numbers for seawater over the temperature range 5-25° C to be Sc=3016.1-172.00t+4.4996t2-0.047965t3, where t is temperature in degrees Celsius.

  17. Water-lithium bromide double-effect absorption cooling analysis. Final report

    SciTech Connect

    Vliet, G.C.; Lawson, M.B.; Lithgow, R.A.

    1980-12-01

    This investigation involved the development of a numerical model for the transient simulation of the double-effect, water-lithium bromide absorption cooling machine, and the use of the model to determine the effect of the various design and input variables on the absorption unit performance. The performance parameters considered were coefficient of performance and cooling capacity. The sensitivity analysis was performed by selecting a nominal condition and determining performance sensitivity for each variable with others held constant. The variables considered in the study include source hot water, cooling water, and chilled water temperatures; source hot water, cooling water, and chilled water flow rates; solution circulation rate; heat exchanger areas; pressure drop between evaporator and absorber; solution pump characteristics; and refrigerant flow control methods. The performance sensitivity study indicated in particular that the distribution of heat exchanger area among the various (seven) heat exchange components is a very important design consideration. Moreover, it indicated that the method of flow control of the first effect refrigerant vapor through the second effect is a critical design feature when absorption units operate over a significant range of cooling capacity. The model was used to predict the performance of the Trane absorption unit with fairly good accuracy. The dynamic model should be valuable as a design tool for developing new absorption machines or modifying current machines to make them optimal based on current and future energy costs.

  18. Monitoring of Water Content And Frozen State by using Millimeter Wave Absorption Features

    NASA Astrophysics Data System (ADS)

    Mizuno, Maya; Shindo, Kenji; Ogawa, Yuichi; Otani, Chiko; Kawase, Kodo

    In this research, we built an experimental setup for measuring the water content in plants and food, and for determining the water/ice state of a sample. The setup consists of a 35 GHz Gunn oscillator producing about 10 mW of output power, two horn antennas and a power meter. We have checked that the absorption of a leaf is directly proportional to its water content, and we could show how changes of the water content depend on photosynthesis, by intermittent illumination with a white fluorescent lamp. In another direction of research, we verified that the difference in the absorption coefficients for water and ice is significant, and we could discriminate and monitor the frozen state of water and food material. All these experiments demonstrate the possibility of applying millimeter waves to fields such as botany, agriculture, and food industry.

  19. Determination of soil–water sorption coefficients of volatile methylsiloxanes

    PubMed Central

    Kozerski, Gary E; Xu, Shihe; Miller, Julie; Durham, Jeremy

    2014-01-01

    The sorption behaviors of 4 cyclic and linear volatile methyl siloxane (VMS) compounds between water and organic matter in 3 United Kingdom soils were studied by a batch equilibrium method using13C-enriched sorbates. Sorption and desorption kinetics and isotherms were determined for octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane (D5), octamethyltrisiloxane (L3), and decamethyltetrasiloxane (L4). Concentrations of [13C]-VMS in the soil and aqueous phases were measured directly by extraction and gas chromatography–mass spectrometry techniques. All VMS compounds were sorbed rapidly, reaching constant distributions in all soils by 24 h. Desorption kinetics were very rapid, with reattainment of equilibrium within 1 h. In the main, linear isotherms were observed for aqueous concentrations at or below 4% of the solubility limits. The average sorption organic carbon partition coefficient (log KOC) values across soils were 4.23 for D4, 5.17 for D5, 4.32 for L3, and 5.13 for L4, with standard deviations of 0.09 to 0.34. Desorption KOC values were systematically greater by 0.1 log units to 0.3 log units. The linear isotherms and low variation in KOC values across soils suggested partitioning-dominated sorption of the VMS. Compared with traditional hydrophobic organic compounds, KOC values for the VMS compounds were significantly lower than expected on the basis of their octanol–water partition coefficients. A linear free energy relationship analysis showed that these differences could be rationalized quantitatively in terms of the inherent characteristics of the VMS compounds, combined with the differences in solvation properties of organic matter and octanol. Environ Toxicol Chem 2014; 33:1937–1945. PMID:24862578

  20. A reduced-scale railway noise barrier's insertion loss and absorption coefficients: comparison of field measurements and predictions

    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

  1. Absorption removal of sulfur dioxide by falling water droplets in the presence of inert solid particles

    NASA Astrophysics Data System (ADS)

    Liu, I.-Hung; Chang, Ching-Yuan; Liu, Su-Chin; Chang, I.-Cheng; Shih, Shin-Min

    An experimental analysis of the absorption removal of sulfur dioxide by the free falling water droplets containing the inert solid particles is presented. The wheat flour powder is introduced as the inert solid particles. Tests with and without the flour powder in the water droplets are examined. The mass fluxes and mass transfer coefficients of SO 2 for the cases with and without the flour powder are compared to elucidate the effects of the inert solid particles contained in the water droplets on the gas absorption. The results indicate aignificant difference between the two cases for the concentrations of the flour powder in the absorbent droplets ( Cs) within the ranges of the experimental conditions, namely 0.1 to 10 wt% flour powder in the absorbent droplets. In general, the inert solid particles of the flour powder as the impurities in the water droplets tend to decrease the SO 2 absorption rate for the experimental absorption system under investigation. Various values of Cs cause various levels of the interfacial resistance and affect the gas absorption rate. The interfacial resistance is recognized by introducing an interfacial mass transfer coefficient ks with its reciprocal being proportional to the magnitude of the interfacial resistance. The values of 1/ ks may be computed by the use of the equation 1/ ks=(1/ KOLs-1/ KOL), where KOLs and KOL are the overall liquid-phase mass transfer coefficients with and without the inert solid particles, respectively. The values of ks with Cs of 0.1 to 10 wt% are about 0.295-0.032 cms -1 for absorbing 1000-3000 ppmv SO 2 with the water droplets. This kind of information is useful for the SO 2 removal and the information of acid rain that the impurities of the inert solid particles contaminate the water droplets.

  2. 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.

  3. Influence of the scattering and absorption coefficients on homogeneous room simulations that use a diffusion equation model.

    PubMed

    Navarro, Juan M; Escolano, José; Cobos, Maximo; López, José J

    2013-03-01

    The diffusion equation model was used for room acoustic simulations to predict the sound pressure level and the reverberation time. The technical literature states that the diffusion equation method accurately models the late portion of the room impulse response if the energy is sufficiently scattered. This work provides conclusions on the validity of the diffusion equation model for rooms with homogeneous dimensions in relation to the scattering coefficients of the boundaries. A systematic evaluation was conducted out to determine the ranges of the absorption and scattering coefficient values that result in low noticeable differences between the predictions from a geometrical acoustic model and those from the diffusion equation model.

  4. Osmotic second virial coefficient of methane in water.

    PubMed

    Koga, K

    2013-10-17

    A correlation-function-based scheme is proposed for calculating the osmotic second virial coefficient B for solutes that dissolve very little in a solvent. The short-distance contribution to B, a volume integral of the solute-solute pair correlation function h(r) from 0 to some finite distance rc, is evaluated with h(r) obtained by molecular simulation. The remaining contribution to B from rc to ∞ is calculated with an asymptotic form of h(r) (Evans, R.; et al. J. Chem. Phys. 1994, 100, 591). It is shown here that B for a model system of methane in water is obtained accurately in the temperature range between 238 and 373 K at 1 bar, with a result that B is a monotonically decreasing function of temperature, and the hydrophobic interaction between methane molecules measured by B is repulsive (B > 0) in supercooled water, virtually null (B ≃ 0) at around 0 °C, and attractive (B < 0) at higher temperatures. It is also remarked that a nearly linear relation holds between B and the first-peak height of the solute-solute radial distribution function.

  5. Absorption and Attenuation Coefficients Using the WET Labs ac-s in the Mid-Atlantic Bight: Field Measurements and Data Analysis

    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.

  6. Determination of infinite dilution activity coefficients and 1-octanol/water partition coefficients of volatile organic pollutants

    SciTech Connect

    Tse, G.; Sandler, S.I. . Dept. of Chemical Engineering)

    1994-04-01

    The characterization of pollutants is of growing interest as concerns about the environment increase. One parameter useful in predicting the fate of a chemical in the environment, the infinite dilution activity coefficient, has been determined here for several EPA priority pollutants in 1-octanol at 25 C using a relative gas-liquid chromatographic measurement technique. A simple correlation has been developed relating the limiting activity coefficients of a species in pure water and in pure 1-octanol to its octanol/water partition coefficient. Agreement between the experimental results and published values is very good. The method developed here of computing the octanol/water partition coefficient from gas chromatographic measurements of its infinite dilution activity coefficients is an improvement over traditional partition coefficient determination methods in that it is easier and quicker, without a loss of accuracy. Furthermore, the authors show that this method is applicable to chemicals covering a large range of hydrophobicities (1.0 < log K[sub OW] < 5.0).

  7. Gas-film coefficients for the volatilization of ethylene dibromide from water

    USGS Publications Warehouse

    Rathbun, R.E.; Tal, D.Y.

    1986-01-01

    Gas-film coefficients for the volatilization of ethylene dibromide (EDB) and water were determined in the laboratory as a function of wind speed and temperature. The ratio of the coefficients was independent of wind speed and increased slightly with temperature. Use of this ratio with an environmentally determined gas-film coefficient for the evaporation of water permits determination of the gas-film coefficient for the volatilization of EDB from environmental waters.

  8. Cycle Simulation of HotWater Fired Absorption Chiller

    NASA Astrophysics Data System (ADS)

    Esaki, Shuji; Iramina, Kazuyasu; Kobayashi, Takahiro; Ohnou, Masayuki; Kaneko, Toshiyuki; Soga, Takashi

    The design limits were examined to determine the lowest temperature for hot water that can be used as a heat source to drive a hot water fired absorption chiller. Advantage was taken of the fact that the cycle calculation method using the minimum temperature difference is quite effective. This minimum temperature difference was the lower of the two temperature differences used to get the logarithmic mean temperature difference that need to design the evaporator, absorber, condenser and generator in an absorption refrigerator. This report proposes a new solution algorithm employing this minimum temperature difference to make a cycle simulation of the hot water fired absorption chiller. It shows the lowest usable temperature for hot water and makes clear the chilled water and cooling water temperature conditions that can provide the lowest temperature.

  9. Absorption coefficients of CFC-11 and CFC-12 needed for atmospheric remote sensing and global warming studies

    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.

  10. Water vapor absorption of carbon dioxide laser radiation

    NASA Technical Reports Server (NTRS)

    Shumate, M. S.; Menzies, R. T.; Margolis, J. S.; Rosengren, L.-G.

    1976-01-01

    An optoacoustic detector or spectrophone has been used to perform detailed measurements of the absorptivity of mixtures of water vapor in air. A (C-12) (O-16)2 laser was used as the source, and measurements were made at forty-nine different wavelengths from 9.2 to 10.7 microns. The details of the optoacoustic detector and its calibration are presented, along with a discussion of its performance characteristics. The results of the measurements of water vapor absorption show that the continuum absorption in the wavelength range covered is 5-10% lower than previous measurements.

  11. Condensation of water vapor: Experimental determination of mass and thermal accommodation coefficients

    NASA Astrophysics Data System (ADS)

    Winkler, P. M.; Vrtala, A.; Rudolf, R.; Wagner, P. E.; Riipinen, I.; Vesala, T.; Lehtinen, K. E. J.; Viisanen, Y.; Kulmala, M.

    2006-10-01

    Experimental determinations of mass and thermal accommodation coefficients αm and αt for condensation of water vapor in air have been conducted covering a temperature range from about 250 to 290 K. For the first time, both coefficients have been determined directly and simultaneously. To this end, growth of water droplets in air has been observed at different total gas pressures ranging from about 1000 down to 100 hPa. Monodispersed seed particles have been used as condensation nuclei. After addition of water vapor with well-defined partial vapor pressure, supersaturation was achieved by adiabatic expansion in an expansion chamber. Most experiments reported in the present paper were performed at vapor saturation ratios ranging from 1.30 to 1.50. Monodispersed Ag particles with a diameter of 9 nm have been used as condensation nuclei, and for humidification a diffusion humidifier was applied. One experiment was performed at the saturation ratio of 1.02, which resembles conditions observed in the Earth's lower atmosphere. In this experiment, monodispersed DEHS particles with a diameter of 80 nm were used as condensation nuclei, and water vapor was generated by quantitative evaporation of a liquid jet. Droplet growth was monitored using the CAMS method. For determination of the accommodation coefficients, experimental droplet growth curves were compared to corresponding theoretical curves. Quantitative comparison was performed by varying the respective accommodation coefficient and the starting time of droplet growth in a two-parameter best fit procedure. Considering the uncertainty with respect to the starting time of droplet growth and the uncertainties of the experimental water vapor supersaturation, corresponding maximum errors have been determined. From the results obtained it can be stated that αt is larger than 0.85 over the whole considered temperature range. For 250-270 K, values of αm below 0.8 are excluded, and for higher temperatures up to 290 K we can

  12. Influence of collisional rate coefficients on water vapour excitation

    NASA Astrophysics Data System (ADS)

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

    2012-11-01

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

  13. The absorption of trapped particles by the inner satellites of Jupiter and the radial diffusion coefficient of particle transport

    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.

  14. Absorptive removal of biomass tar using water and oily materials.

    PubMed

    Phuphuakrat, Thana; Namioka, Tomoaki; Yoshikawa, Kunio

    2011-01-01

    Water is the most common choice of absorption medium selected in many gasification systems. Because of poor solubility of tar in water, hydrophobic absorbents (diesel fuel, biodiesel fuel, vegetable oil, and engine oil) were studied on their absorption efficiency of biomass tar and compared with water. The results showed that only 31.8% of gravimetric tar was removed by the water scrubber, whereas the highest removal of gravimetric tar was obtained by a vegetable oil scrubber with a removal efficiency of 60.4%. When focusing on light PAH tar removal, the absorption efficiency can be ranked in the following order; diesel fuel>vegetable oil>biodiesel fuel>engine oil>water. On the other hand, an increase in gravimetric tar was observed for diesel fuel and biodiesel fuel scrubbers because of their easy evaporation. Therefore, the vegetable oil is recommended as the best absorbent to be used in gasification systems.

  15. Emergency membrane contactor based absorption system for ammonia leaks in water treatment plants.

    PubMed

    Shao, Jiahui; Fang, Xuliang; He, Yiliang; Jin, Qiang

    2008-01-01

    Abstract Because of the suspected health risks of trihalomethanes (THMs), more and more water treatment plants have replaced traditional chlorine disinfection process with chloramines but often without the proper absorption system installed in the case of ammonia leaks in the storage room. A pilot plant membrane absorption system was developed and installed in a water treatment plant for this purpose. Experimentally determined contact angle, surface tension, and corrosion tests indicated that the sulfuric acid was the proper choice as the absorbent for leaking ammonia using polypropylene hollow fiber membrane contactor. Effects of several operating conditions on the mass transfer coefficient, ammonia absorption, and removal efficiency were examined, including the liquid concentration, liquid velocity, and feed gas concentration. Under the operation conditions investigated, the gas absorption efficiency over 99.9% was achieved. This indicated that the designed pilot plant membrane absorption system was effective to absorb the leaking ammonia in the model storage room. The removal rate of the ammonia in the model storage room was also experimentally and theoretically found to be primarily determined by the ammonia suction flow rate from the ammonia storage room to the membrane contactor. The ammonia removal rate of 99.9% was expected to be achieved within 1.3 h at the ammonia gas flow rate of 500 m3/h. The success of the pilot plant membrane absorption system developed in this study illustrated the potential of this technology for ammonia leaks in water treatment plant, also paved the way towards a larger scale application.

  16. Studies of Water Absorption Behavior of Plant Fibers at Different Temperatures

    NASA Astrophysics Data System (ADS)

    Saikia, Dip

    2010-05-01

    Moisture absorption of natural fiber plastic composites is one major concern in their outdoor applications. The absorbed moisture has many detrimental effects on the mechanical performance of these composites. A knowledge of the moisture diffusivity, permeability, and solubility is very much essential for the application of natural fibers as an excellent reinforcement in polymers. An effort has been made to study the water absorption behavior of some natural fibers such as bowstring hemp, okra, and betel nut at different temperatures to improve the long-term performance of composites reinforced with these fibers. The gain in moisture content in the fibers due to water absorption was measured as a function of exposure time at temperatures ranging from 300 K to 340 K. The thermodynamic parameters of the sorption process, such as diffusion coefficients and corresponding activation energies, were estimated.

  17. Measurement of atmospheric precipitable water using a solar radiometer. [water vapor absorption effects

    NASA Technical Reports Server (NTRS)

    Pitts, D. E.; Dillinger, A. E.; Mcallum, W. E.

    1974-01-01

    A technique is described and tested that allows the determination of atmospheric precipitable water from two measurements of solar intensity: one in a water-vapor absorption band and another in a nearby spectral region unaffected by water vapor.

  18. Spatial variations in the chlorophyll-specific absorption coefficients of phytoplankton and photosynthetically active pigments in the equatorial Pacific

    NASA Astrophysics Data System (ADS)

    Allali, Karima; Bricaud, Annick; Claustre, Hervé

    1997-01-01

    Chlorophyll-specific absorption coefficients of particles, a*p(λ), and of phytoplankton, a*ph(λ), were determined using the glass-fiber filter technique along 150°W in the equatorial Pacific (13°S-1°N). A site-specific algorithm for correcting the path length amplification effect was derived from field measurements. Then a decomposition technique using the high-performance liquid chromatography pigment information and taking into account the package effect was used to partition a*ph into the contributions of photosynthetic pigments (a*ps) and nonphotosynthetic pigments (a*nps). Both a*ph and a*nps values were observed to decrease from the oligotrophic waters of the subequatorial area (13°-1°S) to the mesotrophic waters of the equatorial area (1°S-1°N) and from the surface to deep waters. The a*ph variations were primarily, but not exclusively, caused by changes in the concentrations of nonphotosynthetic pigments. The level of pigment packaging was also variable both horizontally and vertically, as a result of changes in populations and photoacclimation. In comparison with a*ph, a*ps exhibited a reduced range of variation with depth and along the latitudinal gradient. The variations in a*ps originating from the package effect were partly compensated by variations in the concentrations of photosynthetic pigments. We extended this analysis to include data collected in other areas with different trophic states. The a*ps values varied over a factor of 4 at 440 nm, instead of 8 for a*ph, for chlorophyll a concentrations covering 2 orders of magnitude (0.02-2 mg m-3). In agreement with a previous study performed off California with a different method [Sosik and Mitchell, 1995], we conclude that a*ps is less dependent on environmental parameters than a*ph. In addition, our results provide evidence that the variability in a*ps cannot be neglected. The use of a*ps instead of a*ph in light-photosynthesis models (in conjunction with a quantum yield for carbon fixation

  19. Absorption coefficient modeling of microcrystalline silicon thin film using Maxwell-Garnett effective medium theory.

    PubMed

    Chen, Sheng-Hui; Wang, Hsuan-Wen; Chang, Ting-Wei

    2012-03-12

    Considering the Mott-Davis density of state model and Rayleigh scattering effect, we present an approach to model the absorption profile of microcrystalline silicon thin films in this paper. Maxwell-Garnett effective medium theory was applied to analyze the absorption curves. To validate the model, several experimental profiles have been established and compared with those results from the model. With the assistance of the genetic algorithm, our results show that the absorption curves from the model are in good agreement with the experiments. Our findings also indicate that, as the crystal volume fraction increases, not only do the defects in amorphous silicon reduce, but the bulk scattering effect is gradually enhanced as well.

  20. Simultaneous Maximum-Likelihood Reconstruction of Absorption Coefficient, Refractive Index and Dark-Field Scattering Coefficient in X-Ray Talbot-Lau Tomography

    PubMed Central

    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

  1. Study of Water Absorption Lines in the Near Infrared

    DTIC Science & Technology

    1975-02-17

    the absorption coefficient is better approximated by the sum of Matcha -N«. oec short range contribution and W-BB dispersion contribution. The...and W. Byers Brown, Molecular Physics 2S, 1105 (1973). 5. R. L. Matcha and R. K. Nesbet, Phys. Rev. 1_6_0, 72 (1967). I H. B. Levine, Phys. Rev...reasurcrents of Ouren, ^eltqen Gaide, Helbing and Pauly. The dipole moment function is taken from ab initio 9 calculations of Matcha and Nesbet. With

  2. Effect of electron collisions on transport coefficients induced by the inverse bremsstrahlung absorption in plasmas

    SciTech Connect

    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.

  3. Absorption properties of high-latitude Norwegian coastal water: The impact of CDOM and particulate matter

    NASA Astrophysics Data System (ADS)

    Nima, Ciren; Frette, Øyvind; Hamre, Børge; Erga, Svein Rune; Chen, Yi-Chun; Zhao, Lu; Sørensen, Kai; Norli, Marit; Stamnes, Knut; Stamnes, Jakob J.

    2016-09-01

    We present data from measurements and analyses of the spectral absorption due to colored dissolved organic matter (CDOM), total suspended matter (TSM), phytoplankton, and non-algal particles (NAP) in high-latitude northern Norwegian coastal water based on samples taken in spring, summer, and autumn. The Chlorophyll-a (Chl-a) concentration was found to vary significantly with season, whereas regardless of season CDOM was found to be the dominant absorber for wavelengths shorter than 600 nm. The absorption spectral slope S350-500 for CDOM varied between 0.011 and 0.022 nm-1 with mean value and standard deviation given by (0.015 ± 0.002) nm-1. The absorption spectral slope was found to be strongly dependent on the wavelength interval used for fitting. On average, S280-500 was found to be 43% higher than S350-500. A linear relationship was found between the base 10 logarithm of the absorption coefficient at 440 nm [log(ag(440))] and S350-500. Regardless of season, phytoplankton were the dominant component of the TSM absorption indicating little influence from land drainage. The mean values of the Chl-a specific absorption coefficient of phytoplankton aph*(λ) at 440 nm and 676 nm were 0.052 m2 mg-1 and 0.023 m2 mg-1, respectively, and aph*(λ) was found to vary with season, being higher in summer and autumn than in spring. The absorption spectral slope SNAP, which is the spectral slope of absorption spectrum for non-algal particles, was lower than that for European coastal water in general. It varied between 0.0048 and 0.022 nm-1 with mean value and standard deviation given by (0.0083-1 ± 0.003) nm-1. Comparisons of absorption coefficients measured in situ using an ac-9 instrument with those measured in the laboratory from water samples show a good agreement.

  4. Uranyl ion: A convenient standard for transient molar absorption coefficient measurements

    SciTech Connect

    Bakac, A.; Burrows, H.D.

    1997-12-01

    Transient absorption spectra of an aqueous solution of uranyl sulfate have been measured in the ultraviolet and visible spectra. The excited uranyl ion may be a convenient standard for actinometry and photoacoustic calorimetry. (AIP) {copyright} {ital 1997} {ital Society for Applied Spectroscopy}

  5. Intersubband transition in lattice-matched BGaN/AlN quantum well structures with high absorption coefficients.

    PubMed

    Park, Seoung-Hwan; Ahn, Doyeol; Park, Chan-Yong

    2017-02-20

    Intersubband absorption properties of lattice-matched BGaN/AlN quantum well (QW) structures grown on AlN substrate are theoretically investigated using an effective mass theory considering the nonparabolicity of the conduction band. These results are compared with those of GaN/AlN QW structures. The intersubband absorption coefficient of the BGaN/AlN QW structure is shown to be enhanced significantly, compared to that of the conventional GaN/AlN QW structure. This can be explained by the fact that the BGaN/AlN QW structure exhibits larger intersuband dipole moment and quasi-Fermi-level separation than the GaN/AlN QW structure, due to the increase in the carrier confinement by a larger internal field. We expect that the BGaN/AlN QW structure with a high absorption coefficient can be used for telecommunication applications at 1.55 µm under the lattice-matched condition, instead of the conventional GaN/AlN QW structure with the large strain.

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

    SciTech Connect

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

    1998-07-01

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

  7. Absorption of impinging water droplet in porous stones.

    PubMed

    Lee, J B; Radu, A I; Vontobel, P; Derome, D; Carmeliet, J

    2016-06-01

    This paper presents an experimental investigation and numerical analysis of the absorption of water droplets impacting porous stones. The absorption process of an impinging droplet is here fully characterized from spreading to evaporation in terms of absorbed mass during droplet depletion and moisture content distribution in a time-resolved manner for three different natural stones. High-speed imaging and neutron radiography are used to quantify moisture absorption in porous stones of varying moisture properties from deposition until depletion. During impact and spreading, the droplet exhibits a dynamic non-wetting behavior. At maximum spreading, the droplet undergoes pinning, resulting into the contact radius remaining constant until droplet depletion. Absorption undergoes two phases: initially, absorption is hindered due a contact resistance attributed to entrapped air; afterwards, a more perfect capillary contact occurs and absorption goes on until depletion, concurrently with evaporation and further redistribution. A finite-element numerical model for isothermal unsaturated moisture transport in porous media captures the phases of mass absorption in good agreement with the experimental data. Droplet spreading and absorption are highly determined by the impact velocity of the droplet, while moisture content redistribution after depletion is much less dependent on impact conditions.

  8. 40 CFR 799.6756 - TSCA partition coefficient (n-octanol/water), generator column method.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    .../water), generator column method. 799.6756 Section 799.6756 Protection of Environment ENVIRONMENTAL... coefficient (n-octanol/water), generator column method. (a) Scope—(1) Applicability. This section is intended...) The measurement and estimation of the n-octanol/water partition coefficient (Kow), has become...

  9. Absorption type water chiller fired directly by waste heat

    NASA Astrophysics Data System (ADS)

    Sauer, K. L.; Kalwar, K.

    1982-08-01

    The direct use of waste heat as heating element in a water chiller of the absorption type was studied. The chilled water is used as cooling element in the industrial process, producing the waste heat or for conditioning the workplace or further located places. The heat source is gaseous or liquid. The cooling capacity is in the range from 10 to 120 kW. After reviewing the different absorption systems, LiBr/H20 proved to be the most suitable. The process retained for experimenting was the manufacturing of synthetic materials polymer industry and was tested in two different factories. It is proved that the use of absorption type water chillers is practicable with an efficiency of 10% to 25% of the waste heat energy, but that the existing chillers need extensive conversion for obtaining economical operation when using a low temperature heating source.

  10. Finite element analysis and modeling of water absorption by date pits during a soaking process.

    PubMed

    Waezi-Zadeh, Motahareh; Ghazanfari, Ahmad; Noorbakhsh, Shahin

    2010-07-01

    Date pits for feed preparation or oil extraction are soaked in water to soften before milling or extrusion. Knowledge of water absorption by the date pits helps in better managing the soaking duration. In this research, the process of water absorption by date pits was modeled and analyzed using Fick's second law of diffusion, finite element approach, and Peleg model. The moisture content of the pits reached to its saturation level of 41.5% (wet basis) after 10 d. The estimated coefficient of diffusion was 9.89x10(-12) m(2)/s. The finite element model with a proposed ellipsoid geometry for a single date pit and the analytical model fitted better to the experimental data with R(2) of 0.98. The former model slightly overestimated the moisture content of the pits during the initial stages of the soaking and the latter model generally underestimated this variable through the entire stages of soaking process.

  11. The Optical Absorption Coefficient of Barley Seeds Investigated by Photoacoustic Spectroscopy and Their Effects by Laser Biostimulation

    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.

  12. Scramjet Performance Assessment Using Water Absorption Diagnostics (U)

    NASA Technical Reports Server (NTRS)

    Cavolowsky, John A.; Loomis, Mark P.; Deiwert, George

    1995-01-01

    Simultaneous multiple path measurements of temperature and H2O concentration will be presented for the AIMHYE test entries in the NASA Ames 16-Inch Shock Tunnel. Monitoring the progress of high temperature chemical reactions that define scramjet combustor efficiencies is a task uniquely suited to nonintrusive optical diagnostics. One application strategy to overcome the many challenges and limitations of nonintrusive measurements is to use laser absorption spectroscopy coupled with optical fibers. Absorption spectroscopic techniques with rapidly tunable lasers are capable of making simultaneous measurements of mole fraction, temperature, pressure, and velocity. The scramjet water absorption diagnostic was used to measure combustor efficiency and was compared to thrust measurements using a nozzle force balance and integrated nozzle pressures to develop a direct technique for evaluating integrated scramjet performance. Tests were initially performed with a diode laser tuning over a water absorption feature at 1391.7 nm. A second diode laser later became available at a wavelength near 1343.3 nm covering an additional water absorption feature and was incorporated in the system for a two-wavelength technique. Both temperature and mole fraction can be inferred from the lineshape analysis using this approach. Additional high temperature spectroscopy research was conducted to reduce uncertainties in the scramjet application. The lasers are optical fiber coupled to ports at the combustor exit and in the nozzle region. The output from the two diode lasers were combined in a single fiber, and the resultant two-wavelength beam was subsequently split into four legs. Each leg was directed through 60 meters of optical fiber to four combustor exit locations for measurement of beam intensity after absorption by the water within the flow. Absorption results will be compared to 1D combustor analysis using RJPA and nozzle CFD computations as well as to data from a nozzle metric

  13. Sound absorption and concentration fluctuations in water-propanol mixtures

    NASA Astrophysics Data System (ADS)

    Madigosky, W. M.; Warfield, R. W.

    1987-02-01

    The excess ultrasonic sound absorption in 1-propanol water mixtures has been measured from 45 kHz to 474 MHz and is shown to result from a coupling of the sound wave with the long-wavelength spectrum of the composition fluctuations. The results are shown to be in agreement with the fluctuation theories of Fixman, Romanov and Solovyev, and Kawasaki and the more recent theories of Kroll and Ruhland, and Bhattacharjee and Ferrell. It is further suggested that the large absorption observed in alcohol-water mixtures may be due to the presence of large associated groups, or clusters.

  14. Using high-resolution laboratory and ground-based solar spectra to assess CH4 absorption coefficient calculations

    NASA Astrophysics Data System (ADS)

    Mendonca, J.; Strong, K.; Sung, K.; Devi, V. M.; Toon, G. C.; Wunch, D.; Franklin, J. E.

    2017-03-01

    A quadratic-speed-dependent Voigt line shape (qSDV) with line mixing (qSDV+LM), together with spectroscopic line parameters from Devi et al. [1,2] for the 2v3 band of CH4, was used to retrieve total columns of CH4 from atmospheric solar absorption spectra. The qSDV line shape (Tran et al., 2013) [3] with line mixing (Lévy et al., 1992) [4] was implemented into the forward model of GFIT (the retrieval algorithm that is at the heart of the GGG software (Wunch et al., 2015) [5]) to calculate CH4 absorption coefficients. High-resolution laboratory spectra of CH4 were used to assess absorption coefficients calculated using a Voigt line shape and spectroscopic parameters from the atm line list (Toon, 2014) [6]. The same laboratory spectra were used to test absorption coefficients calculated using the qSDV+LM line shape with spectroscopic line parameters from Devi et al. [1,2] for the 2v3 band of CH4 and a Voigt line shape for lines that don't belong to the 2v3 band. The spectral line list for lines that don't belong to the 2v3 band is an amalgamation of multiple spectral line lists. We found that for the P, Q, and R branches of the 2v3 band, the qSDV+LM simulated the laboratory spectra better than the Voigt line shape. The qSDV+LM was also used in the spectral fitting of high-resolution solar absorption spectra from four ground-based remote sensing sites and compared to spectra fitted with a Voigt line shape. The average root mean square (RMS) residual for 131,124 solar absorption spectra fitted with absorption coefficients calculated using the qSDV+LM for the 2v3 band of CH4 and the new spectral line list for lines for lines that don't belong to the 2v3 band, was reduced in the P, Q, and R branches by 5%, 13%, and 3%, respectively when compared with spectra fitted using a Voigt line shape and the atm line list. We found that the average total column of CH4 retrieved from these 131,124 spectra, with the qSDV+LM was 1.1±0.3% higher than the retrievals performed using a

  15. Activity coefficients of chlorophenols in water at infinite dilution

    SciTech Connect

    Tabai, S.; Rogalski, M.; Solimando, R.; Malanowski, S.K.

    1997-11-01

    The total pressure of aqueous solutions of chlorophenols was determined by a ebulliometric total pressure method for the aqueous solutions of phenol, 2-chlorophenol, 3-chlorophenol, 4-chlorophenol, and 2,4-dichlorophenol in the temperature range from 40 to 90 C. The activity coefficients at infinite dilution and the Henry constants were derived.

  16. Effect of quantum dot size and size distribution on the intersublevel transitions and absorption coefficients of III-V semiconductor quantum dot

    SciTech Connect

    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.

  17. Effects of magnetic field and the built-in internal fields on the absorption coefficients in a strained wurtzite GaN/AlGaN quantum dot

    NASA Astrophysics Data System (ADS)

    Minimala, N. S.; Peter, A. John

    2013-02-01

    Effects of magnetic field strength and the built-in electric fields on the exciton binding energy and the non-linear optical property such as absorption coefficients in a GaN/AlGaN wide band gap heterostructure are investigated. The internal fields due to spontaneous and piezo-electric polarizations are included in the Hamiltonian. Our results show that the optical absorption coefficients strongly depend on the internal fields and the applied magnetic field.

  18. Study of Water Absorption in Raffia vinifera Fibres from Bandjoun, Cameroon

    PubMed Central

    Sikame Tagne, N. R.; Njeugna, E.; Fogue, M.; Drean, J.-Y.; Nzeukou, A.; Fokwa, D.

    2014-01-01

    The study is focused on the water diffusion phenomenon through the Raffia vinifera fibre from the stem. The knowledge on the behavior of those fibres in presence of liquid during the realization of biocomposite, is necessary. The parameters like percentage of water gain at the point of saturation, modelling of the kinetic of water absorption, and the effective diffusion coefficient were the main objectives. Along a stem of raffia, twelve zones of sampling were defined. From Fick's 2nd law of diffusion, a new model was proposed and evaluated compared to four other models at a constant temperature of 23°C. From the proposed model, the effective diffusion coefficient was deduced. The percentage of water gain was in the range of 303–662%. The proposed model fitted better to the experimental data. The estimated diffusion coefficient was evaluated during the initial phase and at the final phase. In any cross section located along the stem of Raffia vinifera, it was found that the effective diffusion coefficient increases from the periphery to the centre during the initial and final phases. PMID:24592199

  19. Changing of optical absorption and scattering coefficients in nonlinear-optical crystal lithium triborate before and after interaction with UV-radiation

    NASA Astrophysics Data System (ADS)

    Demkin, Artem S.; Nikitin, Dmitriy G.; Ryabushkin, Oleg A.

    2016-04-01

    In current work optical properties of LiB3O5 (LBO) crystal with ultraviolet (UV) (λ= 266 nm) induced volume macroscopic defect (track) are investigated using novel piezoelectric resonance laser calorimetry technique. Pulsed laser radiation of 10 W average power at 532 nm wavelength, is consecutively focused into spatial regions with and without optical defect. For these cases exponential fitting of crystal temperature kinetics measured during its irradiation gives different optical absorption coefficients α1 = 8.1 • 10-4 cm-1 (region with defect) and α =3.9ṡ10-4 cm-1 (non-defected region). Optical scattering coefficient is determined as the difference between optical absorption coefficients measured for opaque and transparent lateral facets of the crystal respectively. Measurements reveal that scattering coefficient of LBO in the region with defect is three times higher than the optical absorption coefficient.

  20. Relating water absorption features to soil moisture characteristics

    NASA Astrophysics Data System (ADS)

    Tian, Jia; Philpot, William D.

    2015-09-01

    The spectral reflectance of a sample of quartz sand was monitored as the sample progressed from air-dry to fully saturated, and then back to air-dry. Wetting was accomplished by spraying small amounts of water on the surface of the sample, and collecting spectra whenever change occurred. Drying was passive, driven by evaporation from the sand surface, with spectra collected every 5 minutes until the sample was air dry. Water content was determined by monitoring the weight of the sample through both wetting and drying. There was a pronounced difference in the pattern of change in reflectance during wetting and drying, with the differences being apparent both in spectral details (i.e., the depth of absorption bands) and in the magnitude of the reflectance for a particular water content. The differences are attributable to the disposition of water in the sample. During wetting, water initially occurred only on the surface, primarily as water adsorbed onto sand particles. With increased wetting the water infiltrated deeper into the sample, gradually covering all particles and filling the pore spaces. During drying, water and air were distributed throughout the sample for most of the drying period. The differences in water distribution are assumed to be the cause of the differences in reflectance and to the differences in the depths of four strong water absorption bands.

  1. Determination of scattering coefficient considering wavelength and absorption dependence of anisotropy factor measured by polarized beam for biological tissues

    NASA Astrophysics Data System (ADS)

    Fukutomi, D.; Ishii, K.; Awazu, K.

    2015-12-01

    Anisotropy factor g, one of the optical properties of biological tissues, is the most important parameter to accurately determine scattering coefficient μs in the inverse Monte Carlo (iMC) simulation. It has been reported that g has wavelength and absorption dependence, however, there are few attempts in order to calculate μs of biological tissue considering the wavelength and absorption dependence of g. In this study, the scattering angular distributions of biological tissue phantoms were measured in order to determine g by using goniometric measurements with three polarization conditions at strongly and weakly absorbing wavelengths of hemoglobin. Then, optical properties, especially, μs were measured by integrating sphere measurements and iMC simulation in order to confirm the influence of measured g on optical properties in comparison of with general value of g (0.9) for soft biological tissue. Consequently, it was found that μs was overestimated at strongly absorbing wavelength, however, μs was underestimated at weakly absorbing wavelength if the g was not considered its wavelength and absorption dependence.

  2. Field calibration of multi-scattering correction factor for aethalometer aerosol absorption coefficient during CAPMEX Campaign, 2008

    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.

  3. Near-infrared studies of glucose and sucrose in aqueous solutions: water displacement effect and red shift in water absorption from water-solute interaction.

    PubMed

    Jung, Youngeui; Hwang, Jungseek

    2013-02-01

    We used near infrared spectroscopy to obtain concentration dependent glucose absorption spectra in aqueous solutions in the near-infrared range (3800-7500 cm(-1)). Here we introduce a new method to obtain reliable glucose absorption bands from aqueous glucose solutions without measuring the water displacement coefficients of glucose separately. Additionally, we were able to extract the water displacement coefficients of glucose, and this may offer a new general method using spectroscopy techniques applicable to other water-soluble materials. We also observed red shifts in the absorption bands of water in the hydration shell around solute molecules, which comes from the contribution of the interacting water molecules around the glucose molecules in solutions. The intensity of the red shift gets larger as the concentration increases, which indicates that as the concentration increases more water molecules are involved in the interaction. However, the red shift in frequency does not seem to depend significantly on the concentration. We also performed the same measurements and analysis with sucrose instead of glucose as solute and compared.

  4. Seasonal variability in the light absorption properties of western Arctic waters: Parameterization of the individual components of absorption for ocean color applications

    NASA Astrophysics Data System (ADS)

    Matsuoka, Atsushi; Hill, Victoria; Huot, Yannick; Babin, Marcel; Bricaud, Annick

    2011-02-01

    The light absorption properties of particulate and dissolved materials strongly influence the propagation of visible light in oceanic waters and therefore the accuracy of ocean color algorithms. While the general absorption properties of these materials have been reported for Arctic waters, their seasonal variability remains unknown. We investigated the light absorption coefficients of phytoplankton [aϕ(λ)], nonalgal particles [aNAP(λ)], and colored dissolved organic matter [aCDOM(λ)] in both coastal and oceanic waters of the western Arctic Ocean from spring to autumn. Values for the chlorophyll a-specific absorption coefficient of phytoplankton [a*ϕ(440)] declined significantly from the ice melt period in the early spring to the summer. Using high-performance liquid chromatography, we show that the decrease in a*ϕ(440) was due to a strong package effect that overwhelmed the influence of the pigment composition. A decrease in the aNAP(λ) values from spring and summer to autumn likely originated from a decrease in the concentration of phytoplanktonic detritus. The aCDOM(λ) near the surface decreased by 34% from spring to summer as a result of photobleaching by solar radiation. The colored dissolved organic matter (CDOM) absorption values then increased significantly during autumn, resulting from the cumulative injection of Alaskan Coastal Waters into the Arctic as well as CDOM generated in situ. Our results suggest that all of the absorption components are tightly linked to biogeochemical processes, and thus the seasonal variability in aϕ(λ), aNAP(λ), and aCDOM(λ) should be taken into account in bio-optical models.

  5. Effect of octanol:water partition coefficients of organophosphorus compounds on biodistribution and percutaneous toxicity.

    PubMed

    Czerwinski, Steven E; Skvorak, John P; Maxwell, Donald M; Lenz, David E; Baskin, Steven I

    2006-01-01

    Knowledge of partition coefficient (log P) data can play a critical role in understanding the pharmacokinetic and pharmacodistributive properties of toxic organophosphorus (OP) compounds. Using a recently published gas chromatographic method, the octanol:water log P values for the compounds tabun (GA), sarin (GB), cyclosarin (GF), and O-ethyl-S-(2-diisopropylaminoethyl) methylphosphonothiolate (VX) were determined to be 0.384 +/- 0.033, 0.299 +/- 0.016, 1.038 +/- 0.055, and 0.675 +/- 0.070, respectively. Based on these data, the log P value of the fluorophosphonate fragment, common to GB, soman (GD), and GF, was determined to be -2.256 +/- 0.273. The predictive value for absorption and distribution of the determined log P values was compared to measured values. The time to onset of local fasciculations (47.3, 29.0, 8.8, 8.5, and 6.3 min, respectively) in guinea pigs exposed percutaneously to equilethal doses of GA, VX, GF, GB, or GD was used as an indicator of dermal penetration. There was a good correlation (r = 0.95) between the measured log P value and the rate of onset of local fasciculations. Assuming a direct correspondence, equilibrium tissue:blood log P may be estimated from octanol:water log P. Comparison of the estimated and directly measured tissue:blood log P revealed a correlation of 0.8 for GD in liver, muscle, and adipose tissue. Our results demonstrate the use of log P data to both predict absorption and determine the distribution of OP compounds in tissues. This facilitates further estimates of in vivo OP effects from in vitro experiments.

  6. Photoinduced transparency of effective three-photon absorption coefficient for femtosecond laser pulses in Ge16As29Se55 thin films

    NASA Astrophysics Data System (ADS)

    Barik, A. R.; Adarsh, K. V.; Naik, Ramakanta; Sandeep, C. S. Suchand; Philip, Reji; Zhao, Donghui; Jain, Himanshu

    2011-05-01

    We report a dramatic change in effective three-photon absorption coefficient of amorphous Ge16As29Se55 thin films, when its optical band gap decreases by 10 meV with 532 nm light illumination. This large change provides valuable information on the higher excited states, which are otherwise inaccessible via normal optical absorption. The results also indicate that photodarkening in chalcogenide glasses can serve as an effective tool to tune the multiphoton absorption in a rather simple way.

  7. Modeling sulfur dioxide absorption by fine water spray

    SciTech Connect

    Cheng-Hsiung Huang

    2005-07-01

    A novel theoretical model was developed to determine the removal efficiency of sulfur dioxide using fine water spray. The droplet pH, diameter, S(IV) concentration, sulfur dioxide concentration, and liquid-to-gas ratio are found to influence the absorption of sulfur dioxide by the fine water spray. The results demonstrate that the absorption of sulfur dioxide by the fine water spray increases as the droplet diameter falls. The concentration gradient between the interface of the gaseous and liquid phases causes the absorption of sulfur dioxide by the droplets to increase as the initial S(IV) concentration decreases or the sulfur dioxide concentration increases. The results indicate that the performance of the fine water spray in removing sulfur dioxide is generally improved by reducing the droplet diameter or the initial S(IV) concentration, or by increasing the sulfur dioxide concentration, the droplet pH or the liquid-to-gas ratio. The proposed model reveals the parameters that should be controlled in using a fine water spray device and a method for improving its performance in removing sulfur dioxide.

  8. Impact of measurement uncertainties on determination of chlorophyll-specific absorption coefficient for marine phytoplankton

    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.

  9. Electro-osmotic drag coefficient of water and methanol in polymer electrolytes at elevated temperatures

    SciTech Connect

    Weng, D.; Wainright, J.S.; Landau, U.; Savinell, R.F.

    1996-04-01

    The electro-osmotic drag coefficient of water in two polymer electrolytes was experimentally determined as a function of water activity and current density for temperatures up to 200 C. The results show that the electro-osmotic drag coefficient varies from 0.2 to 0.6 in Nafion{reg_sign}/H{sub 3}PO{sub 4} membrane electrolyte, but is essentially zero in phosphoric acid-doped PBI (polybenzimidazole) membrane electrolyte over the range of water activity considered. The near-zero electro-osmotic drag coefficient found in PBI indicates that this electrolyte should lessen the problems associated with water redistribution in proton exchange membrane fuel cells.

  10. A time-resolved single-pass technique for measuring optical absorption coefficients of window materials under 100 GPa shock pressures.

    PubMed

    Li, Jun; Zhou, Xianming; Li, Jiabo

    2008-12-01

    An experimental method was developed to perform time-resolved, single-pass optical absorption measurements and to determine absorption coefficients of window materials under strong shock compression up to approximately 200 GPa. Experimental details are described of (i) a configuration to generate an in situ dynamic, bright, optical source and (ii) a sample assembly with a lithium fluoride plate to essentially eliminate heat transfer from the hot radiator into the specimen and to maintain a constant optical source within the duration of the experiment. Examples of measurements of optical absorption coefficients of several initially transparent single crystal materials at high shock pressures are presented.

  11. Absorption depth profile of water on thermoplastic starch films

    SciTech Connect

    Bonno, B.; Laporte, J.L.; Paris, D.; D'Leon, R.T.

    2000-01-01

    It is well known that petroleum derived polymers are primary environmental contaminants. The study of new packing biodegradable materials has been the object of numerous papers in past years. Some of these new materials are the thermoplastic films derived from wheat starch. In the present paper, the authors study some of properties of wheat starch thermoplastic films, with various amounts of absorbed water, using photoacoustic spectroscopy techniques. The absorption depth profile of water in the starch substrate is determined for samples having a variable water level.

  12. Water vapor absorption in the atmospheric window at 239 GHz

    NASA Technical Reports Server (NTRS)

    Bauer, A.; Godon, M.; Carlier, J.; Ma, Q.

    1995-01-01

    Absolute absorption rates of pure water vapor and mixtures of water vapor and nitrogen have been measured in the atmospheric window at 239 GHz. The dependence on pressure as well as temperature has been obtained. The experimental data are compared with several theoretical or empirical models, and satisfactory agreement is obtained with the models involving a continuum; in the case of pure water vapor, the continuum contribution based upon recent theoretical developments gives good results. The temperature dependence is stronger than that proposed in a commonly used atmospheric transmission model.

  13. A Novel Absorption Cycle for Combined Water Heating, Dehumidification, and Evaporative Cooling

    SciTech Connect

    CHUGH, Devesh; Gluesenkamp, Kyle R; Abdelaziz, Omar; Moghaddam, Saeed

    2014-01-01

    In this study, development of a novel system for combined water heating, dehumidification, and space evaporative cooling is discussed. Ambient water vapor is used as a working fluid in an open system. First, water vapor is absorbed from an air stream into an absorbent solution. The latent heat of absorption is transferred into the process water that cools the absorber. The solution is then regenerated in the desorber, where it is heated by a heating fluid. The water vapor generated in the desorber is condensed and its heat of phase change is transferred to the process water in the condenser. The condensed water can then be used in an evaporative cooling process to cool the dehumidified air exiting the absorber, or it can be drained if primarily dehumidification is desired. Essentially, this open absorption cycle collects space heat and transfers it to process water. This technology is enabled by a membrane-based absorption/desorption process in which the absorbent is constrained by hydrophobic vapor-permeable membranes. Constraining the absorbent film has enabled fabrication of the absorber and desorber in a plate-and-frame configuration. An air stream can flow against the membrane at high speed without entraining the absorbent, which is a challenge in conventional dehumidifiers. Furthermore, the absorption and desorption rates of an absorbent constrained by a membrane are greatly enhanced. Isfahani and Moghaddam (Int. J. Heat Mass Transfer, 2013) demonstrated absorption rates of up to 0.008 kg/m2s in a membrane-based absorber and Isfahani et al. (Int. J. Multiphase Flow, 2013) have reported a desorption rate of 0.01 kg/m2s in a membrane-based desorber. The membrane-based architecture also enables economical small-scale systems, novel cycle configurations, and high efficiencies. The absorber, solution heat exchanger, and desorber are fabricated on a single metal sheet. In addition to the open arrangement and membrane-based architecture, another novel feature of the

  14. Effect of the concentration of magnetic grains on the linear-optical-absorption coefficient of ferrofluid-doped lyotropic mesophases: deviation from the Beer-Lambert law.

    PubMed

    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.

  15. Dynamics of absorption properties along a latitudinal gradient: sources of absorption in Australian inland waters

    NASA Astrophysics Data System (ADS)

    Hestir, E. L.; Campbell, G.; Malthus, T. J.; Dekker, A.; Botha, E.

    2013-12-01

    Australian inland waters are optically complex and vary spatially and temporally. Inversion of optical remote sensing data for the retrieval of optically active water quality constituents (chlorophyll, colored dissolved organic matter and total suspended solids) is impeded by the scarcity of inherent optical property (IOP) data sets. In 2012 a major measurement program commenced to improve understanding of IOPs in Australia. Seven large lakes were sampled along a latitudinal gradient in Eastern Australia; in situ observations were made of the absorption properties of the water quality during two epochs (wet and dry season). This study documents the seasonal, inter & intra lake variability of the absorption budget of Australian lakes. These data reveal the sources of biogeochemical constituents determining the light climate of lakes. Optically active water quality constituents (total suspended solids, chlorophyll-a, and colored dissolved organic matter) varied significantly between wet and dry season and between lakes. The primary contribution to the absorption budget was from non-algal particulate matter (NAP; 10-60%), followed by colored dissolved organic matter (CDOM; 20-80%). Absorption from phytoplankton contributed only 0-30% of the total budget. This indicates that these lakes are primarily light limited, though the limitation comes from multiple sources. The contribution of NAP to the total absorption budget showed the greatest amount of variance between wet and dry seasons. Examination of the organic matter and estimated phytoplankton biomass contributions to TSS reveal that chlorophyll is not the primary source of organic matter in Australian lakes: allochthonous inputs are the primary trophic driver. Finally, there is strong regional and seasonal variation in the IOPs of the lakes, with the exception of the slope of CDOM. The slope of CDOM was not significantly different between seasons (p=0.94). Non-parametric stepwise multiple comparisons showed the

  16. Determination of Kubelka-Munk scattering and absorption coefficients by diffuse illumination.

    PubMed

    Molenaar, R; ten Bosch, J J; Zijp, J R

    1999-04-01

    The Kubelka-Munk theory, although it provides an equation that relates the reflection of a sample under diffuse illumination to certain of its properties, does not take boundary reflectance into account. Boundary reflection is always present because there is always a difference between the refractive indices of the sample and of the surrounding medium. We describe how a half-sphere is used to achieve diffuse illumination, and we present and exemplify equations that correct for boundary reflection with measurements of four composite restorative dental materials. The refractive index of the sample is measured with a matching technique that employs a glycerol-water mixture. Edge loss errors are estimated.

  17. An Exergy Analysis of LiBr-Water Absorption Refrigerators

    NASA Astrophysics Data System (ADS)

    Asano, Hitoshi; Fujii, Terushige; Wang, Xiao; Origane, Takafumi; Katayama, Masatoshi; Inoue, Umeo

    Absorption refrigerators are very efficient as a heat recovery unit in a co-generation system.In order to design an absorption refrigerator for an arbitrary heat source properly, it is important to consider not only quantity but also quality of heat flow. The evaluation of exergy loss in each component is also effective for the improvement of system. This paper deals with the exergy analysis on a LiBr-water absorption refrigerator consisted of a single-and a double-effect cycle driven by the exhaust gas of the micro gas turbine with the output power of about 30 kW. Moreover, exergy loss in absorption process was eva1uated. As a result, it was shown that 80% of the exergy loss in an absorber was caused in absorption process, and the exergy loss decreased with decreasing the change in solution concentration in absorber. In these calculated results,the maximum cooling load of 77.8 kW was obtained from the exhaust gas with the temperature of 2900°C by utilizing both a single-and a double-effect cycles in combination. The energy and exergy efficiency of the system was 88.0% and 25.6%, respectively.

  18. Preparation of hydrophilic luffa sponges and their water absorption performance.

    PubMed

    Liu, Zhi; Pan, Yanxiong; Shi, Kai; Wang, Weicai; Peng, Chao; Li, Wei; Sha, Di; Wang, Zhe; Ji, Xiangling

    2016-08-20

    Hydrophilic luffa sponges are prepared by grafting polymerization of acrylamide (AM) on luffa cylindrica and subsequent partial hydrolysis under alkaline conditions. Attenuated total reflection infrared spectroscopy is used to verify the composition of the grafted (luffa-g-PAM) and hydrolyzed (luffa-g-(PAM-co-PAANa)) samples. Alkalization conditions, including aqueous NaOH concentrations, alkalization temperature, and time, are studied extensively. Optimized conditions are then obtained. The grafting percentage (GP) of polyacrylamide increases with the feed ratios of [AM]/[OH] and [Ce]/[OH], reaction temperature, and time. Furthermore, the GP can reach up to 160%. Pristine, alkalized, grafted, and hydrolyzed luffa sponges show rapid absorption kinetics, and the pseudo second-order rate equation is applied to describe their kinetic procedure. Reaction conditions, such as [AM]/[OH], [Ce]/[OH], reaction temperature and time, influence the water absorption capacities of grafted and hydrolyzed samples. The hydrolyzed luffa sponges particularly exhibit high water absorption capacities of 75gg(-1). The absorption mechanism is also discussed.

  19. Determination of the scattering coefficient of biological tissue considering the wavelength and absorption dependence of the anisotropy factor

    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.

  20. Light absorption coefficient measurement of SOA using a UV-Visible spectrometer connected with an integrating sphere

    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.

  1. Empirical prediction of peptide octanol-water partition coefficients

    PubMed Central

    Hattotuwagama, Channa K; Flower, Darren R

    2006-01-01

    Peptides are of great therapeutic potential as vaccines and drugs. Knowledge of physicochemical descriptors, including the partition coefficient P (commonly expressed in logarithm form: logP), is useful for screening out unsuitable molecules and also for the development of predictive Quantitative Structure-Activity Relationships (QSARs). In this paper we develop a new approach to the prediction of LogP values for peptides based on an empirical relationship between global molecular properties and measured physical properties. Our method was successful in terms of peptide prediction (total r2 = 0.641). The final model consisted of 5 physicochemical descriptors (molecular weight, number of single bonds, 2D-VDW volume, 2D-VSA hydrophobic and 2D-VSA polar). The approach is peptide specific and its predictive accuracy was high. Overall, 67% of the peptides were able to be predicted within +/-0.5 log units from the experimental values. Our method thus represents a novel prediction method with proven predictive ability. PMID:17597903

  2. Experimental Evaluation of the Drag Coefficient of Water Rockets by a Simple Free-Fall Test

    ERIC Educational Resources Information Center

    Barrio-Perotti, R.; Blanco-Marigorta, E. Arguelles-Diaz, K.; Fernandez-Oro, J.

    2009-01-01

    The flight trajectory of a water rocket can be reasonably calculated if the magnitude of the drag coefficient is known. The experimental determination of this coefficient with enough precision is usually quite difficult, but in this paper we propose a simple free-fall experiment for undergraduate students to reasonably estimate the drag…

  3. Bootstrap-estimated land-to-water coefficients from the CBTN_v4 SPARROW model

    USGS Publications Warehouse

    Ator, Scott; Brakebill, John W.; Blomquist, Joel D.

    2017-01-01

    This file contains 200 sets of bootstrap-estimated land-to-water coefficients from the CBTN_v4 SPARROW model, which is documented in USGS Scientific Investigations Report 2011-5167. The coefficients were produced as part of CBTN_v4 model calibration to provide information about the uncertainty in model estimates.

  4. Decoupling scattering and absorption of turbid samples using a simple empirical relation between coefficients of the Kubelka-Munk and radiative transfer theories.

    PubMed

    Gaonkar, Harshavardhan Ashok; Kumar, Dinesh; Ramasubramaniam, Rajagopal; Roy, Arindam

    2014-05-01

    Efforts are underway to better understand the absorption properties of micro- and nano-sized particles due to their potential in various photonic applications. However, most of these particles exhibit strong scattering in the spectral regions of interest in addition to absorption. Due to strong interference from scattering, the absorption of these turbid samples cannot be directly measured using conventional spectroscopy techniques. The optical properties of these particles are also different from that of the bulk due to quantum confinement and plasmon resonance effects and cannot be inferred from their bulk properties. By measuring the total transmittance and total reflectance (diffuse and collimated) of turbid samples and using an empirical relation between the coefficients of the Kubelka-Munk and radiative transfer theories, we have demonstrated a method to calculate the absorption and reduced scattering coefficients of turbid samples. This method is capable of extracting the absorption coefficient of turbid samples with an error of 2%. Using this method, we have decoupled the specific absorption and specific reduced scattering coefficients of commercially available micro-sized iron oxide particles. The current method can be used to measure the optical properties of irregularly shaped particle dispersions, which are otherwise difficult to estimate theoretically.

  5. OVERALL MASS TRANSFER COEFFICIENT FOR POLLUTANT EMISSIONS FROM SMALL WATER POOLS UNDER SIMULATED INDOOR ENVIRONMENTAL CONDITIONS

    EPA Science Inventory

    Small chamber tests were conducted to experimentally determine the overall mass transfer coefficient for pollutant emissions from still water under simulated indoor-residential or occupational-environmental conditions. Fourteen tests were conducted in small environmental chambers...

  6. Theoretical Calculation and Validation of the Water Vapor Continuum Absorption

    NASA Technical Reports Server (NTRS)

    Ma, Qiancheng; Tipping, Richard H.

    1998-01-01

    The primary objective of this investigation is the development of an improved parameterization of the water vapor continuum absorption through the refinement and validation of our existing theoretical formalism. The chief advantage of our approach is the self-consistent, first principles, basis of the formalism which allows us to predict the frequency, temperature and pressure dependence of the continuum absorption as well as provide insights into the physical mechanisms responsible for the continuum absorption. Moreover, our approach is such that the calculated continuum absorption can be easily incorporated into satellite retrieval algorithms and climate models. Accurate determination of the water vapor continuum is essential for the next generation of retrieval algorithms which propose to use the combined constraints of multispectral measurements such as those under development for EOS data analysis (e.g., retrieval algorithms based on MODIS and AIRS measurements); current Pathfinder activities which seek to use the combined constraints of infrared and microwave (e.g., HIRS and MSU) measurements to improve temperature and water profile retrievals, and field campaigns which seek to reconcile spectrally-resolved and broad-band measurements such as those obtained as part of FIRE. Current widely used continuum treatments have been shown to produce spectrally dependent errors, with the magnitude of the error dependent on temperature and abundance which produces errors with a seasonal and latitude dependence. Translated into flux, current water vapor continuum parameterizations produce flux errors of order 10 W/sq m, which compared to the 4 W/sq m magnitude of the greenhouse gas forcing and the 1-2 W/sq m estimated aerosol forcing is certainly climatologically significant and unacceptably large. While it is possible to tune the empirical formalisms, the paucity of laboratory measurements, especially at temperatures of interest for atmospheric applications, preclude

  7. Theoretical Calculation and Validation of the Water Vapor Continuum Absorption

    NASA Technical Reports Server (NTRS)

    Ma, Qiancheng; Tipping, Richard H.

    1998-01-01

    The primary objective of this investigation is the development of an improved parameterization of the water vapor continuum absorption through the refinement and validation of our existing theoretical formalism. The chief advantage of our approach is the self-consistent, first principles, basis of the formalism which allows us to predict the frequency, temperature and pressure dependence of the continuum absorption as well as provide insights into the physical mechanisms responsible for the continuum absorption. Moreover, our approach is such that the calculated continuum absorption can be easily incorporated into satellite retrieval algorithms and climate models. Accurate determination of the water vapor continuum is essential for the next generation of retrieval algorithms which propose to use the combined constraints of multi-spectral measurements such as those under development for EOS data analysis (e.g., retrieval algorithms based on MODIS and AIRS measurements); current Pathfinder activities which seek to use the combined constraints of infrared and microwave (e.g., HIRS and MSU) measurements to improve temperature and water profile retrievals, and field campaigns which seek to reconcile spectrally-resolved and broad-band measurements such as those obtained as part of FIRE. Current widely used continuum treatments have been shown to produce spectrally dependent errors, with the magnitude of the error dependent on temperature and abundance which produces errors with a seasonal and latitude dependence. Translated into flux, current water vapor continuum parameterizations produce flux errors of order 10 W/ml, which compared to the 4 W/m' magnitude of the greenhouse gas forcing and the 1-2 W/m' estimated aerosol forcing is certainly climatologically significant and unacceptably large. While it is possible to tune the empirical formalisms, the paucity of laboratory measurements, especially at temperatures of interest for atmospheric applications, preclude tuning

  8. Partition coefficients of organic compounds in lipid-water systems and correlations with fish bioconcentration factors

    USGS Publications Warehouse

    Chiou, C.T.

    1985-01-01

    Triolein-water partition coefficients (KtW) have been determined for 38 slightly water-soluble organic compounds, and their magnitudes have been compared with the corresponding octanol-water partition coefficients (KOW). In the absence of major solvent-solute interaction effects in the organic solvent phase, the conventional treatment (based on Raoult's law) predicts sharply lower partition coefficients for most of the solutes in triolein because of its considerably higher molecular weight, whereas the Flory-Huggins treatment predicts higher partition coefficients with triolein. The data are in much better agreement with the Flory-Huggins model. As expected from the similarity in the partition coefficients, the water solubility (which was previously found to be the major determinant of the KOW) is also the major determinant for the Ktw. When the published BCF values (bioconcentration factors) of organic compounds in fish are based on the lipid content rather than on total mass, they are approximately equal to the Ktw, which suggests at least near equilibrium for solute partitioning between water and fish lipid. The close correlation between Ktw and Kow suggests that Kow is also a good predictor for lipid-water partition coefficients and bioconcentration factors.

  9. Predicting sediment sorption coefficients for linear alkylbenzenesulfonate congeners from polyacrylate-water partition coefficients at different salinities.

    PubMed

    Rico-Rico, Angeles; Droge, Steven T J; Hermens, Joop L M

    2010-02-01

    The effect of the molecular structure and the salinity on the sorption of the anionic surfactant linear alkylbenzenesulfonate (LAS) to marine sediment has been studied. The analysis of several individual LAS congeners in seawater and of one specific LAS congener at different dilutions of seawater was carried out after extraction by polyacrylate solid-phase microextraction (SPME) fibers. Sorption isotherms for the tested LAS congeners on marine sediment and at different ionic composition were all nonlinear with a constant Freundlich exponent (n(F)) of 0.78 +/- 0.05. Differences in LAS sorption of a number of congeners were similar to the differences among the linear partition coefficients (K(fw)) observed for the polyacrylate SPME fibers in seawater. The sorption of LAS to both the sediment and the SPME fiber significantly decreased in media with lower salinity. Dissolved calcium could fully account for the changed affinity of LAS for the SPME fiber, although the high sorption in seawater was also equaled by a corresponding dissolved concentration of NaCl only. Sediment sorption coefficients of a single LAS congener at varying ionic composition was not as strongly related to the K(fw) values as the relation observed for different LAS compounds in seawater, likely because sorption mechanisms are different in both phases. In the absence of experimental data for octanol-water coefficients (K(ow)) of (i) individual LAS congeners at (ii) different ionic compositions, the use of K(fw) as a tool to predict sorption and other hydrophobicity-related processes is suggested.

  10. Water absorption and transport in bis-silane films.

    PubMed

    Wang, Yimin; Wang, Peng; Kohls, Doug; Hamilton, William A; Schaefer, Dale W

    2009-01-07

    Water (D2O) ingress in bis-amino silane and bis-sulfur silane films was studied by in situ neutron reflectivity. Bis-amino silane film absorbs substantially more D2O (33 vol%) than the bis-sulfur silane film (4.6 vol%) at equilibrium. The volume increase (swelling) of both films, however, is much smaller than the total volume of D2O absorbed in the films. The results suggest that the absorbed water exists in two populations: one is dissolved in the polymer matrix (Henry's mode) while the other occupies unrelaxed free volume existing in the polymer (Langmuir mode). The dominance of Langmuir mode accounts for the small film thickness change during the water absorption. Dual-mode sorption is also consistent with the observed two-stage swelling process whereby an initial rapid increase in film thickness is followed by a slower process extending over 11 h.

  11. The water absorption effect on the hardness of composites polyester

    NASA Astrophysics Data System (ADS)

    Mohammed, A. A.; Issa, T. T.

    2016-04-01

    Unsaturated polyester resin (UPE) was used as the matrix .The iron woven wire and E-glass fiber type (0 - 9°), were used as a reinforcements additives of weight percentage (5, 10, 15) respectively. Samples were prepared by the hand lay-up method for (UPE), (UPE -Fe) and (UPE- Glass). Chemical analysis was used to identify the composition of Fe wire. Water immersing at room temperature for all samples were done at (2, 5, 7, 9, 12) days. Hardness test (Brinell) showed decreasing with increasing in immersion time for (UPE) from (67) HB to (95) HP after adding the reinforcement Fe fibers, with increasing in the water absorbed content especially in the days (2, 5). The water content of absorption was found to be either decreasing or increasing depending on the number of reinforcing layers added.

  12. A method to obtain the absorption coefficient spectrum of single grain coal in the aliphatic C-H stretching region using infrared transflection microspectroscopy.

    PubMed

    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.

  13. Mean absorption coefficients of He/Ar/N2/(C1-x-y , Ni x , Co y ) thermal plasmas for CNT synthesis

    NASA Astrophysics Data System (ADS)

    Salem, D.; Hannachi, R.; Cressault, Y.; Teulet, Ph; Béji, L.

    2017-01-01

    In this paper, we present the mean absorption coefficients (MACs) calculated for plasma mixtures of argon-helium-nitrogen-carbon-nickel-cobalt at 60 kPa and in a temperature range from 1 kK to 20 kK. These coefficients have been computed under the assumption of a local thermodynamic equilibrium (LTE), isothermal plasma, including atomic and molecular continuum, molecular bands and lines radiation splitted into nine spectral intervals. The results show that the continuum absorption coefficients strongly depend on photodissociation and photoionization processes of the molecular species N2, CN and C2, with a significant effect on photodetachment processes of C- in a frequency interval lower than 1  ×  1015 Hz and for low temperature (<6 kK). While at high temperature, the main contribution in continuum absorption coefficient comes from radiative recombination processes except in the infrared region (<0.5  ×  1015 Hz) where the inverse bremsstrahlung represents the most important component in continuum processes for all temperature values. On the other hand, the calculation of MAC shows that the role of molecular continuum, molecular bands and line absorption of the neutral catalysis species Ni/Co are only important in a small range of temperature and in a few spectral bands located in visible and infrared regions, while at high temperature and in UV and visible regions, the foremost contributions to MAC come from atomic continuum and line absorption.

  14. Pore-size dependent THz absorption of nano-confined water.

    PubMed

    Sun, Chi-Kuang; You, Borwen; Huang, Yu-Ru; Liu, Kao-Hsiang; Sato, Shusaku; Irisawa, Akiyoshi; Imamura, Motoki; Mou, Chung-Yuan

    2015-06-15

    We performed a THz absorption spectroscopy study on liquid water confined in mesoporous silica materials, MCM-41-S-18 and MCM-41-S-21, of two different pore sizes at room temperatures. We found that stronger confinement with a smaller pore size causes reduced THz absorption, indicating reduced water mobility due to confinement. Combined with recent theoretical studies showing that the microscopic structure of water inside the nanopores can be separated into a core water region and an interfacial water region, our spectroscopy analysis further reveals a bulk-water-like THz absorption behavior in the core water region and a solid-like THz absorption behavior in the interfacial water region.

  15. Determination of molar absorptivity coefficients for major type-B trichothecenes and certification of calibrators for deoxynivalenol and nivalenol.

    PubMed

    Krska, Rudolf; Schubert-Ullrich, Patricia; Josephs, Ralf D; Emteborg, Håkan; Buttinger, Gerhard; Pettersson, Hans; van Egmond, Hans P; Schothorst, Ronald C; Macdonald, Susan; Chan, Danny

    2007-07-01

    This paper presents results from the European Commission-funded project Doncalibrant, the objective of which was to produce calibrators with certified mass fractions of the Fusarium toxins deoxynivalenol (DON), 3-acetyldeoxynivalenol (3-Ac-DON), 15-acetyldeoxynivalenol (15-Ac-DON), and nivalenol (NIV), in acetonitrile. The calibrators, available in ampoules, were sufficiently homogeneous, with between-bottle variations (s (bb)) of less than 2%. Long-term stability studies performed at four different temperatures between -18 and 40 degrees C revealed no significant negative trends (at a confidence level of 95%). Molar absorptivity coefficients (in L mol(-1) cm(-1)) were determined for all four toxins (DON: 6805 +/- 126, NIV: 6955 +/- 205, 3-Ac-DON: 6983 +/- 141, 15-Ac-DON: 6935 +/- 142) on the basis of a mini-interlaboratory exercise. The overall uncertainty of the calibrators' target values for DON and NIV were evaluated on the basis of gravimetric preparation data and include uncertainty contributions from possible heterogeneity, storage, and transport. The Doncalibrant project resulted in the production of calibrators for DON (IRMM-315) and NIV (IRMM-316) in acetonitrile with certified mass fractions of 25.1 +/- 1.2 microg g(-1) and 24.0 +/- 1.1 microg g(-1), respectively. Both CRMs became commercially available from the Institute for Reference Materials and Measurements (IRMM, Geel, Belgium) at the beginning of 2007.

  16. Influence of the light propagation models on a linearized photoacoustic image reconstruction of the light absorption coefficient

    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.

  17. Determination of air-loop volume and radon partition coefficient for measuring radon in water sample.

    PubMed

    Lee, Kil Yong; Burnett, William C

    A simple method for the direct determination of the air-loop volume in a RAD7 system as well as the radon partition coefficient was developed allowing for an accurate measurement of the radon activity in any type of water. The air-loop volume may be measured directly using an external radon source and an empty bottle with a precisely measured volume. The partition coefficient and activity of radon in the water sample may then be determined via the RAD7 using the determined air-loop volume. Activity ratios instead of absolute activities were used to measure the air-loop volume and the radon partition coefficient. In order to verify this approach, we measured the radon partition coefficient in deionized water in the temperature range of 10-30 °C and compared the values to those calculated from the well-known Weigel equation. The results were within 5 % variance throughout the temperature range. We also applied the approach for measurement of the radon partition coefficient in synthetic saline water (0-75 ppt salinity) as well as tap water. The radon activity of the tap water sample was determined by this method as well as the standard RAD-H2O and BigBottle RAD-H2O. The results have shown good agreement between this method and the standard methods.

  18. Tricaprylin-water partition coefficients and their temperature dependence for selected chlorobenzenes

    SciTech Connect

    Bahadur, N.P.; Shiu, W.Y.; Boocock, D.G.B.; Mackay, D.

    1999-01-01

    Measurements of partition coefficients between tricaprylin (glyceryl tri-n-octanoate) and water are reported for seven chlorobenzenes (1,2-dichlorobenzene, 1,4-dichlorobenzene, 1,3,5-trichlorobenzene, 1,2,3,4-tetrachlorobenzene, 1,2,3,5-tetrachlorobenzene, pentachlorobenzene, and hexachlorobenzene) between 5 and 45 C. The values are compared with reported data on octanol-water and triolein-water partition coefficients. The van`t Hoff plots of log K{sub OW} versus T{sup {minus}1} exhibit linearity with values of K{sub OW} increasing by 5--8% over this temperature range, and the enthalpy of phase change varies from 9.7 to 16 kJ/mol. Several reasons are suggested why tricaprylin-water partition coefficients may be preferable to octanol-water and triolein-water partition coefficients when quantifying a substance`s hydrophobicity. The mutual solubilities of tricaprylin and water are less than that of octanol and water. Tricaprylin is easier to purify than triolein and, because of its lower molecular mass, is easier to analyze by gas chromatography.

  19. 40 CFR 799.6755 - TSCA partition coefficient (n-octanol/water), shake flask method.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Potential of Organic Chemicals in Fish. Environmental Science and Technology 8:1113 (1974). (2) Leo, A. et.... Terada, Direct measurements of partition coefficients in an octanol-water system. Journal of... Chemicals, EPA-600/3-78-049 (1978). (5) Mirrless, M.S. et al., Direct measurement of octanol-water...

  20. A far wing line shape theory and its application to the foreign-broadened water continuum absorption. III

    NASA Technical Reports Server (NTRS)

    Ma, Q.; Tipping, R. H.

    1992-01-01

    The far wing line shape theory developed previously and applied to the calculation of the continuum absorption of pure water vapor is extended to foreign-broadened continua. Explicit results are presented for H2O-N2 and H2O-CO2 in the frequency range from 0 to 10,000/cm. For H2O-N2 the positive and negative resonant frequency average line shape functions and absorption coefficients are computed for a number of temperatures between 296 and 430 K for comparison with available laboratory data. In general the agreement is very good.

  1. Consumptive Water-Use Coefficients for the Great Lakes Basin and Climatically Similar Areas

    USGS Publications Warehouse

    Shaffer, Kimberly H.; Runkle, Donna L.

    2007-01-01

    Consumptive water use is the portion of water withdrawn (for a particular use) that is evaporated, transpired, incorporated into products or crops, consumed by humans or livestock, or otherwise removed from the immediate water environment. This report, which is organized by water?use categories, includes consumptive?use coefficients for the Great Lakes Basin (including Canada) and for areas climatically similar to the Great Lakes Basin. This report also contains an annotated bibliography of consumptive water?use coefficients. Selected references are listed for consumptive?use data from elsewhere in the world. For the industrial water?use category, the median consumptive?use coefficients were 10 percent for the Great Lakes Basin, climatically similar areas, and the world; the 25th and 75th percentiles for these geographic areas were comparable within 6 percent. The combined domestic and public?supply consumptive?use statistics (median, 25th and 75th percentiles) were between 10 to 20 percent for the various geographic areas. Although summary statistics were similar for coefficients in the livestock and irrigation water?use categories for the Great Lakes Basin and climatically similar areas, statistic values for the world on a whole were substantially lower (15 to 28 percent lower). Commercial and thermoelectric power consumptive?use coefficient statistics (median, 25th, and 75th percentile) also were comparable for the Great Lakes Basin and climatically similar areas, within 2 percent. References for other countries were not found for commercial and thermoelectric power water?use categories. The summary statistics for the mining consumptive?use coefficients varied, likely because of differences in types of mining, processes, or equipment.

  2. Improved method for estimating water solubility from octanol/water partition coefficient

    SciTech Connect

    Meylan, W.; Howard, P.; Boethling, R.

    1994-12-31

    Water solubility (wsol) is a critical property in risk assessments for chemicals. It is often necessary to estimate wsol because measured values are unavailable. However, the most widely used estimation methods predict wsol from the logarithm of the octanol/water partition coefficient (log K{sub ow}), via regression equations based on approximately 200 (or fewer) measured values of log K{sub ow}. The overall accuracy of these correlations is only about {+-} one order of magnitude. To update and enhance existing wsol estimation methods, the authors first collected 3,000+ measured values from a variety of sources. The range of chemical structures represented by this data set is much greater than for the older regressions. They then investigated the accuracy of wsol/log K{sub ow} correlations for the entire data set and for various chemical classes, as well as the importance of melting point (mp) to the estimate. The results of this investigation include a new regression equation for estimating wsol. This method has been encoded in a computer program that is compatible with other programs in the Estimation Programs Interface (EPI), a program used by OPPT to estimate key properties and fate parameters for existing and Premanufacture Notice (PMN) chemicals. To estimate wsol the user can enter a measured value of log K{sub ow}, or allow the program to estimate log K{sub ow} from the chemical`s SMILES notation.

  3. Optimum hot water temperature for absorption solar cooling

    SciTech Connect

    Lecuona, A.; Ventas, R.; Venegas, M.; Salgado, R.; Zacarias, A.

    2009-10-15

    The hot water temperature that maximizes the overall instantaneous efficiency of a solar cooling facility is determined. A modified characteristic equation model is used and applied to single-effect lithium bromide-water absorption chillers. This model is based on the characteristic temperature difference and serves to empirically calculate the performance of real chillers. This paper provides an explicit equation for the optimum temperature of vapor generation, in terms of only the external temperatures of the chiller. The additional data required are the four performance parameters of the chiller and essentially a modified stagnation temperature from the detailed model of the thermal collector operation. This paper presents and discusses the results for small capacity machines for air conditioning of homes and small buildings. The discussion highlights the influence of the relevant parameters. (author)

  4. Temperature effects on diffusion coefficient for 6-gingerol and 6-shogaol in subcritical water extraction

    NASA Astrophysics Data System (ADS)

    Ilia Anisa, Nor; Azian, Noor; Sharizan, Mohd; Iwai, Yoshio

    2014-04-01

    6-gingerol and 6-shogaol are the main constituents as anti-inflammatory or bioactive compounds from zingiber officinale Roscoe. These bioactive compounds have been proven for inflammatory disease, antioxidatives and anticancer. The effect of temperature on diffusion coefficient for 6-gingerol and 6-shogaol were studied in subcritical water extraction. The diffusion coefficient was determined by Fick's second law. By neglecting external mass transfer and solid particle in spherical form, a linear portion of Ln (1-(Ct/Co)) versus time was plotted in determining the diffusion coefficient. 6-gingerol obtained the higher yield at 130°C with diffusion coefficient of 8.582x10-11 m2/s whilst for 6-shogaol, the higher yield and diffusion coefficient at 170°C and 19.417 × 10-11 m2/s.

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

    PubMed

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

    1995-01-01

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

  6. Partition coefficients for the trihalomethanes among blood, urine, water, milk and air.

    PubMed

    Batterman, Stuart; Zhang, Lian; Wang, Shugin; Franzblau, Alfred

    2002-02-04

    Chloroform, bromodichloromethane, chlorodibromomethane, and bromoform comprise the trihalomethanes, a group of widespread and mildly lipophilic compounds that result from water chlorination and other sources. Many animal studies show the chronic toxicity and carcinogenicity of these compounds, and recent work has demonstrated the importance of both ingestion and inhalation exposure pathways. This study presents partition coefficients describing the equilibrium among biological compartments (air, water, blood, milk, urine) for the four THMs based on results of headspace gas chromatographic analyses performed under equilibrium conditions and at 37 degrees C. The calculated partition coefficients ranged from 2.92 to 4.14 for blood/water, 1.54-2.85 for milk/blood, and 3.41-4.93 for blood/urine, with the lowest being chloroform and the highest being bromoform. Both human and cow milk were tested, with similar results. The available samples of human milk may not fully account for differences in lipid content and possibly other factors that affect estimates of partition coefficients. Simultaneous measurements of milk and blood in exposed individuals are suggested to confirm laboratory results. Partition coefficients are predicted using the octanol-air partition coefficient, also measured in this study, and the octanol-water partition coefficient. Results are similar to literature estimates for liquid/air partitioning of chloroform and chlorodibromomethane, but they differ from predictions based on hydrophobicity and lipid content. High correlations between the derived partitioned coefficients and the molecular structure (number of Br atoms) and physical properties (molecular weight and boiling point) are found for these analogous chemicals. In humans, THMs are both stored and metabolized with relatively rapid clearance rates. The derived partition coefficients can help to interpret results of biological monitoring and predict the potential for the accumulation and

  7. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations.

    PubMed

    Toropov, Andrey A; Toropova, Alla P; Raska, Ivan; Benfenati, Emilio

    2010-04-01

    Three different splits into the subtraining set (n = 22), the set of calibration (n = 21), and the test set (n = 12) of 55 antineoplastic agents have been examined. By the correlation balance of SMILES-based optimal descriptors quite satisfactory models for the octanol/water partition coefficient have been obtained on all three splits. The correlation balance is the optimization of a one-variable model with a target function that provides both the maximal values of the correlation coefficient for the subtraining and calibration set and the minimum of the difference between the above-mentioned correlation coefficients. Thus, the calibration set is a preliminary test set.

  8. Detection of water vapour absorption around 363nm in measured atmospheric absorption spectra and its effect on DOAS evaluations

    NASA Astrophysics Data System (ADS)

    Lampel, Johannes; Polyansky, Oleg. L.; Kyuberis, Alexandra A.; Zobov, Nikolai F.; Tennyson, Jonathan; Lodi, Lorenzo; Pöhler, Denis; Frieß, Udo; Platt, Ulrich; Beirle, Steffen; Wagner, Thomas

    2016-04-01

    Water vapour is known to absorb light from the microwave region to the blue part of the visible spectrum at a decreasing magnitude. Ab-initio approaches to model individual absorption lines of the gaseous water molecule predict absorption lines until its dissociation limit at 243 nm. We present first evidence of water vapour absorption at 363 nm from field measurements based on the POKAZATEL absorption line list by Polyansky et al. (2016) using data from Multi-Axis differential optical absorption spectroscopy (MAX-DOAS) and Longpath (LP)-DOAS measurements. The predicted absorptions contribute significantly to the observed optical depths with up to 2 × 10-3. Their magnitude correlates well (R2 = 0.89) to simultaneously measured well-established water vapour absorptions in the blue spectral range from 452-499 nm, but is underestimated by a factor of 2.6 ± 0.6 in the ab-initio model. At a spectral resolution of 0.5nm this leads to a maximum absorption cross-section value of 5.4 × 10-27 cm2/molec at 362.3nm. The results are independent of the employed cross-section data to compensate for the overlayed absorption of the oxygen dimer O4. The newly found absorption can have a significant impact on the spectral retrieval of absorbing trace-gas species in the spectral range around 363 nm. Its effect on the spectral analysis of O4, HONO and OClO are discussed.

  9. Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge.

    PubMed

    Rustenburg, Ariën S; Dancer, Justin; Lin, Baiwei; Feng, Jianwen A; Ortwine, Daniel F; Mobley, David L; Chodera, John D

    2016-11-01

    Small molecule distribution coefficients between immiscible nonaqueuous and aqueous phases-such as cyclohexane and water-measure the degree to which small molecules prefer one phase over another at a given pH. As distribution coefficients capture both thermodynamic effects (the free energy of transfer between phases) and chemical effects (protonation state and tautomer effects in aqueous solution), they provide an exacting test of the thermodynamic and chemical accuracy of physical models without the long correlation times inherent to the prediction of more complex properties of relevance to drug discovery, such as protein-ligand binding affinities. For the SAMPL5 challenge, we carried out a blind prediction exercise in which participants were tasked with the prediction of distribution coefficients to assess its potential as a new route for the evaluation and systematic improvement of predictive physical models. These measurements are typically performed for octanol-water, but we opted to utilize cyclohexane for the nonpolar phase. Cyclohexane was suggested to avoid issues with the high water content and persistent heterogeneous structure of water-saturated octanol phases, since it has greatly reduced water content and a homogeneous liquid structure. Using a modified shake-flask LC-MS/MS protocol, we collected cyclohexane/water distribution coefficients for a set of 53 druglike compounds at pH 7.4. These measurements were used as the basis for the SAMPL5 Distribution Coefficient Challenge, where 18 research groups predicted these measurements before the experimental values reported here were released. In this work, we describe the experimental protocol we utilized for measurement of cyclohexane-water distribution coefficients, report the measured data, propose a new bootstrap-based data analysis procedure to incorporate multiple sources of experimental error, and provide insights to help guide future iterations of this valuable exercise in predictive modeling.

  10. Propagation of ultrashort laser pulses in water: linear absorption and onset of nonlinear spectral transformation.

    PubMed

    Sokolov, Alexei V; Naveira, Lucas M; Poudel, Milan P; Strohaber, James; Trendafilova, Cynthia S; Buck, William C; Wang, Jieyu; Strycker, Benjamin D; Wang, Chao; Schuessler, Hans; Kolomenskii, Alexandre; Kattawar, George W

    2010-01-20

    We study propagation of short laser pulses through water and use a spectral hole filling technique to essentially perform a sensitive balanced comparison of absorption coefficients for pulses of different duration. This study is motivated by an alleged violation of the Bouguer-Lambert-Beer law at low light intensities, where the pulse propagation is expected to be linear, and by a possible observation of femtosecond optical precursors in water. We find that at low intensities, absorption of laser light is determined solely by its spectrum and does not directly depend on the pulse duration, in agreement with our earlier work and in contradiction to some work of others. However, as the laser fluence is increased, interaction of light with water becomes nonlinear, causing energy exchange among the pulse's spectral components and resulting in peak-intensity dependent (and therefore pulse-duration dependent) transmission. For 30 fs pulses at 800 nm center wavelength, we determine the onset of nonlinear propagation effects to occur at a peak value of about 0.12 mJ/cm(2) of input laser energy fluence.

  11. Contribution of quantum molecular flexibility to the second virial coefficient of water vapor.

    PubMed

    Donchev, Alexander G; Galkin, Nikolay G; Tarasov, Vladimir I

    2006-12-01

    The contribution of essentially quantum internal molecular motions to the second virial coefficient B2 of water vapor is analyzed in the framework of the path integral approach. A general purpose ab initio polarizable force field QMPFF2 or a nonpolarizable three-site water model are used with oscillator and Morse valence potentials. It is demonstrated that the contribution may be significant but depends strongly on the form of the intramolecular potential. In the case of the more realistic stretching Morse potential, inclusion of quantum molecular flexibility into the simulation reduces the virial coefficient by 20%-40%. Also, the internal modes make a contribution to the difference in the virial coefficient for light and heavy water, which is opposite to that of the intermolecular motions, so that the net effect can even change the sign at higher temperatures.

  12. Water absorption in a refractive index model for bacterial spores

    NASA Astrophysics Data System (ADS)

    Siegrist, K. M.; Thrush, E.; Airola, M.; Carr, A. K.; Limsui, D. M.; Boggs, N. T.; Thomas, M. E.; Carter, C. C.

    2009-05-01

    The complexity of biological agents can make it difficult to identify the important factors impacting scattering characteristics among variables such as size, shape, internal structure and biochemical composition, particle aggregation, and sample additives. This difficulty is exacerbated by the environmentally interactive nature of biological organisms. In particular, bacterial spores equilibrate with environmental humidity by absorption/desorption of water which can affect both the complex refractive index and the size/shape distributions of particles - two factors upon which scattering characteristics depend critically. Therefore accurate analysis of experimental data for determination of refractive index must take account of particle water content. First, spectral transmission measurements to determine visible refractive index done on suspensions of bacterial spores must account for water (or other solvent) uptake. Second, realistic calculations of aerosol scattering cross sections should consider effects of atmospheric humidity on particle water content, size and shape. In this work we demonstrate a method for determining refractive index of bacterial spores bacillus atropheus (BG), bacillus thuringiensis (BT) and bacillus anthracis Sterne (BAs) which accounts for these effects. Visible index is found from transmission measurements on aqueous and DMSO suspensions of particles, using an anomalous diffraction approximation. A simplified version of the anomalous diffraction theory is used to eliminate the need for knowledge of particle size. Results using this approach indicate the technique can be useful in determining the visible refractive index of particles when size and shape distributions are not well known but fall within the region of validity of anomalous dispersion theory.

  13. ClogP(alk): a method for predicting alkane/water partition coefficient.

    PubMed

    Kenny, Peter W; Montanari, Carlos A; Prokopczyk, Igor M

    2013-05-01

    Alkane/water partition coefficients (P(alk)) are less familiar to the molecular design community than their 1-octanol/water equivalents and access to both data and prediction tools is much more limited. A method for predicting alkane/water partition coefficient from molecular structure is introduced. The basis for the ClogP(alk) model is the strong (R² = 0.987) relationship between alkane/water partition coefficient and molecular surface area (MSA) that was observed for saturated hydrocarbons. The model treats a molecule as a perturbation of a saturated hydrocarbon molecule with the same MSA and uses increments defined for functional groups to quantify the extent to which logP(alk) is perturbed by the introduction each functional group. Interactions between functional groups, such as intramolecular hydrogen bonds are also parameterized within a perturbation framework. The functional groups and interactions between them are specified substructurally in a transparent and reproducible manner using SMARTS notation. The ClogP(alk) model was parameterized using data measured for structurally prototypical compounds that dominate the literature on alkane/water partition coefficients and then validated using an external test set of 100 alkane/water logP measurements, the majority of which were for drugs.

  14. ClogPalk: a method for predicting alkane/water partition coefficient

    NASA Astrophysics Data System (ADS)

    Kenny, Peter W.; Montanari, Carlos A.; Prokopczyk, Igor M.

    2013-05-01

    Alkane/water partition coefficients (Palk) are less familiar to the molecular design community than their 1-octanol/water equivalents and access to both data and prediction tools is much more limited. A method for predicting alkane/water partition coefficient from molecular structure is introduced. The basis for the ClogPalk model is the strong (R2 = 0.987) relationship between alkane/water partition coefficient and molecular surface area (MSA) that was observed for saturated hydrocarbons. The model treats a molecule as a perturbation of a saturated hydrocarbon molecule with the same MSA and uses increments defined for functional groups to quantify the extent to which logPalk is perturbed by the introduction each functional group. Interactions between functional groups, such as intramolecular hydrogen bonds are also parameterized within a perturbation framework. The functional groups and interactions between them are specified substructurally in a transparent and reproducible manner using SMARTS notation. The ClogPalk model was parameterized using data measured for structurally prototypical compounds that dominate the literature on alkane/water partition coefficients and then validated using an external test set of 100 alkane/water logP measurements, the majority of which were for drugs.

  15. Temperature dependence of infinite dilution activity coefficients in octanol and octanol/water partition coefficients of some volatile halogenated organic compounds

    SciTech Connect

    Bhatai, S.R.; Sandler, S.I.

    1995-11-01

    The study of the fate and transport of volatile halogenated organic compounds in the environment is of interest as these chemicals, many of which have been classified as pollutants, are widely used as industrial solvents and are now appearing in water supplies. Infinite dilution activity coefficients and Henry`s law coefficients have been measured for 11 halogenated C{sub 1} to C{sub 3} compounds in 1-octanol above room temperature using a gas-liquid chromatographic measurement method. Then, using their earlier data for these substances in water and a correlation relating the limiting activity coefficients of a substance in pure water and in pure 1-octanol to their octanol/water partition coefficients, these latter quantities have been computed. One conclusion from these measurements is that the limiting activity coefficients in octanol and the octanol/water partition coefficients of the halogenated compounds studied are only weakly dependent on temperature over the range from 25 to 50 C. Also, from these and their earlier data, have estimated the infinite dilution partial molar excess enthalpies and excess entropies of these compounds in both 1-octanol and water.

  16. Variability in light absorption and scattering of phytoplankton in Patagonian waters: Role of community size structure and pigment composition

    NASA Astrophysics Data System (ADS)

    Ferreira, Amabile; Stramski, Dariusz; Garcia, Carlos A. E.; Garcia, Virginia M. T.; Ciotti, ÁUrea M.; Mendes, Carlos R. B.

    2013-02-01

    Intense phytoplankton blooms were observed along the Patagonian shelf-break with satellite ocean color data, but few in situ optical observations were made in that region. We examine the variability of phytoplankton absorption and particulate scattering coefficients during such blooms on the basis of field data. The chlorophyll-a concentration, [Chla], ranged from 0.1 to 22.3 mg m-3 in surface waters. The size fractionation of [Chla] showed that 80% of samples were dominated by nanophytoplankton (N-group) and 20% by microphytoplankton (M-group). Chlorophyll-specific phytoplankton absorption coefficients at 440 and 676 nm, a*ph(440) and a*ph(676), and particulate scattering coefficient at 660 nm, b*p(660), ranged from 0.018 to 0.173, 0.009 to 0.046, and 0.031 to 2.37 m2 (mg Chla)-1, respectively. Both a*ph(440) and a*ph(676) were statistically higher for the N-group than M-group and also considerably higher than expected from global trends as a function of [Chla]. This result suggests that size of phytoplankton cells in Patagonian waters tends to be smaller than in other regions at similar [Chla]. The phytoplankton cell size parameter, Sf, derived from phytoplankton absorption spectra, proved to be useful for interpreting the variability in the data around the general inverse dependence of a*ph(440), a*ph(676), and b*p(660) on [Chla]. Sf also showed a pattern along the increasing trend of a*ph(440) and a*ph(676) as a function of the ratios of some accessory pigments to [Chla]. Our results suggest that the variability in phytoplankton absorption and scattering coefficients in Patagonian waters is caused primarily by changes in the dominant phytoplankton cell size accompanied by covariation in the concentrations of accessory pigments.

  17. Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge

    NASA Astrophysics Data System (ADS)

    Rustenburg, Ariën S.; Dancer, Justin; Lin, Baiwei; Feng, Jianwen A.; Ortwine, Daniel F.; Mobley, David L.; Chodera, John D.

    2016-11-01

    Small molecule distribution coefficients between immiscible nonaqueuous and aqueous phases—such as cyclohexane and water—measure the degree to which small molecules prefer one phase over another at a given pH. As distribution coefficients capture both thermodynamic effects (the free energy of transfer between phases) and chemical effects (protonation state and tautomer effects in aqueous solution), they provide an exacting test of the thermodynamic and chemical accuracy of physical models without the long correlation times inherent to the prediction of more complex properties of relevance to drug discovery, such as protein-ligand binding affinities. For the SAMPL5 challenge, we carried out a blind prediction exercise in which participants were tasked with the prediction of distribution coefficients to assess its potential as a new route for the evaluation and systematic improvement of predictive physical models. These measurements are typically performed for octanol-water, but we opted to utilize cyclohexane for the nonpolar phase. Cyclohexane was suggested to avoid issues with the high water content and persistent heterogeneous structure of water-saturated octanol phases, since it has greatly reduced water content and a homogeneous liquid structure. Using a modified shake-flask LC-MS/MS protocol, we collected cyclohexane/water distribution coefficients for a set of 53 druglike compounds at pH 7.4. These measurements were used as the basis for the SAMPL5 Distribution Coefficient Challenge, where 18 research groups predicted these measurements before the experimental values reported here were released. In this work, we describe the experimental protocol we utilized for measurement of cyclohexane-water distribution coefficients, report the measured data, propose a new bootstrap-based data analysis procedure to incorporate multiple sources of experimental error, and provide insights to help guide future iterations of this valuable exercise in predictive modeling.

  18. Temperature and pressure dependence of methane correlations and osmotic second virial coefficients in water.

    PubMed

    Ashbaugh, Henry S; Weiss, Katie; Williams, Steven M; Meng, Bin; Surampudi, Lalitanand N

    2015-05-21

    We report methane's osmotic virial coefficient over the temperatures 275 to 370 K and pressures from 1 bar up to 5000 bar evaluated using molecular simulations of a united-atom description of methane in TIP4P/2005 water. In the first half of this work, we describe an approach for calculating the water-mediated contribution to the methane-methane potential-of-mean force over all separations down to complete overlap. The enthalpic, entropic, heat capacity, volumetric, compressibility, and thermal expansivity contributions to the water-mediated interaction free energy are subsequently extracted from these simulations by fitting to a thermodynamic expansion over all the simulated state points. In the second half of this work, methane's correlation functions are used to evaluate its osmotic second virial coefficient in the temperature-pressure plane. The virial coefficients evaluated from the McMillan-Mayer correlation function integral are shown to be in excellent agreement with those determined from the concentration dependence of methane's excess chemical potential, providing an independent thermodynamic consistency check on the accuracy of the procedures used here. At atmospheric pressure the osmotic virial coefficient decreases with increasing temperature, indicative of increasing hydrophobic interactions. At low temperature, the virial coefficient decreases with increasing pressure while at high temperature the virial coefficient increases with increasing pressure, reflecting the underlying hyperbolic dependence of the virial coefficient on temperature and pressure. The transition between a decreasing to increasing pressure response of the osmotic virial coefficient is shown to follow the response of the methane-methane contact peak to changes in pressure as a function of temperature, though a universal correlation is not observed.

  19. Aerosol absorption measurement at SWIR with water vapor interference using a differential photoacoustic spectrometer.

    PubMed

    Zhu, Wenyue; Liu, Qiang; Wu, Yi

    2015-09-07

    Atmospheric aerosol plays an important role in atmospheric radiation balance through absorbing and scattering the solar radiation, which changes local weather and global climate. Accurate measurement is highly requested to estimate the radiative effects and climate effects of atmospheric aerosol. Photoacoustic spectroscopy (PAS) technique, which observes the aerosols on their natural suspended state and is insensitive to light scattering, is commonly recognized as one of the best candidates to measure the optical absorption coefficient (OAC) of aerosols. In the present work, a method of measuring aerosol OAC at the wavelength where could also be absorbed by water vapor was proposed and corresponding measurements of the absorption properties of the atmospheric aerosol at the short wave infrared (SWIR, 1342 nm) wavelength were carried out. The spectrometer was made up of two high performance homemade photoacoustic cells. To improve the sensitivity, several methods were presented to control the noise derived from gas flow and vibration from the sampling pump. Calibration of the OAC and properties of the system were also studied in detail. Using the established PAS instrument, measurement of the optical absorption properties of the atmospheric aerosol were carried out in laboratory and field environment.

  20. Determination of oil/water and octanol/water distribution coefficients from aqueous solutions from four fossil fuels. [MS thesis; in oil-water and octanol-water

    SciTech Connect

    Thomas, B.L.

    1984-07-01

    Liquid fossil fuels, both petroleum and synthetically derived oils, are exceedingly complex mixtures of thousands of components. The effect of many of these energy-related components on the environment is largely unknown. Octanol/water distribution coefficients relate both to toxicity and to the bioaccumulation potential of chemical components. Use of these partition data in conjunction with component concentrations in the oils in environmental models provides important information on the fate of fossil fuel components when released to the environment. Octanol/water distribution data are not available for many energy-related organic compounds, and those data that are available have been determined for individual components in simple, one-component octanol/water equilibrium mixtures. In this study, methods for determining many octanol/water distribution coefficients from aqueous extracts of oil products were developed. Sample aqueous mixtures were made by equilibrating liquid fossil fuels with distilled water. This approach has the advantage of detecting interactions between components of interest and other sample components. Compound types studied included phenols, nitrogen bases, hydrocarbons, sulfur heterocyclic compounds, and carboxylic acids. Octanol/water distribution coefficients that were determined in this study ranged from 9.12 for aniline to 67,600 for 1,2-dimethylnaphthalene. Within a compound type, distribution coefficients increased logarithmically with increasing alkyl substitution and molecular weight. Additionally, oil/water distribution data were determined for oil components. These data are useful in predicting maximum environmental concentrations in water columns. 96 references, 26 figures, and 40 tables.

  1. Gas-film coefficients for the volatilization of ketones from water

    USGS Publications Warehouse

    Rathbun, R.E.; Tai, D.Y.

    1986-01-01

    Volatilization is a significant process in determining the fate of many organic compounds in streams and rivers. Quantifying this process requires knowledge of the mass-transfer coefficient from water, which is a function of the gas-film and liquid-film coefficients. The gas-film coefficient can be determined by measuring the flux for the volatilization of pure organic liquids. Volatilization fluxes for acetone, 2-butanone, 2-pentanone, 3-pentanone, 4-methyl-2-pentanone, 2-heptanone, and 2-octanone were measured in the laboratory over a range of temperatures. Gas-film coefficients were then calculated from these fluxes and from vapor pressure data from the literature. An equation was developed for predicting the volatilization flux of pure liquid ketones as a function of vapor pressure and molecular weight. Large deviations were found for acetone, and these were attributed to the possibility that acetone may be hydrogen bonded. A second equation for predicting the flux as a function of molecular weight and temperature resulted in large deviations for 4methyl-2-pentanone. These deviations were attributed to the branched structure of this ketone. Four factors based on the theory of volatilization and relating the volatilization flux or rate to the vapor pressure, molecular weight, temperature, and molecular diffusion coefficient were not constant as suggested by the literature. The factors generally increased with molecular weight and with temperature. Values for acetone corresponded to ketones with a larger molecular weight, and the acetone factors showed the greatest dependence on temperature. Both of these results are characteristic of compounds that are hydrogen bonded. Relations from the literature commonly used for describing the dependence of the gas-film coefficient on molecular weight and molecular diffusion coefficient were not applicable to the ketone gas-film coefficients. The dependence on molecular weight and molecular diffusion coefficient was in

  2. Experimental evaluation of the drag coefficient of water rockets by a simple free-fall test

    NASA Astrophysics Data System (ADS)

    Barrio-Perotti, R.; Blanco-Marigorta, E.; Argüelles-Díaz, K.; Fernández-Oro, J.

    2009-09-01

    The flight trajectory of a water rocket can be reasonably calculated if the magnitude of the drag coefficient is known. The experimental determination of this coefficient with enough precision is usually quite difficult, but in this paper we propose a simple free-fall experiment for undergraduate students to reasonably estimate the drag coefficient of water rockets made from plastic soft drink bottles. The experiment is performed using relatively small fall distances (only about 14 m) in addition with a simple digital-sound-recording device. The fall time is inferred from the recorded signal with quite good precision, and it is subsequently introduced as an input of a Matlab® program that estimates the magnitude of the drag coefficient. This procedure was tested first with a toy ball, obtaining a result with a deviation from the typical sphere value of only about 3%. For the particular water rocket used in the present investigation, a drag coefficient of 0.345 was estimated.

  3. Determination of silicone rubber and low-density polyethylene diffusion and polymer/water partition coefficients for emerging contaminants.

    PubMed

    Pintado-Herrera, Marina G; Lara-Martín, Pablo A; González-Mazo, Eduardo; Allan, Ian J

    2016-09-01

    There is a growing interest in assessing the concentration and distribution of new nonregulated organic compounds (emerging contaminants) in the environment. The measurement of freely dissolved concentrations using conventional approaches is challenging because of the low concentrations that may be encountered and their temporally variable emissions. Absorption-based passive sampling enables the estimation of freely dissolved concentrations of hydrophobic contaminants of emerging concern in water. In the present study, calibration was undertaken for 2 polymers, low-density polyethylene (LDPE) and silicone rubber for 11 fragrances, 5 endocrine-disrupting compounds, 7 ultraviolet (UV) filters, and 8 organophosphate flame retardant compounds. Batch experiments were performed to estimate contaminant diffusion coefficients in the polymers (Dp ), which in general decreased with increasing molecular weight. The values for fragrances, endocrine-disrupting compounds, and UV filters were in ranges similar to those previously reported for polycyclic aromatic hydrocarbons, but were 1 order of magnitude lower for organophosphate flame retardant compounds. Silicone rubber had higher Dp values than LDPE and was therefore selected for further experiments to calculate polymer/water partition coefficients (KPW ). The authors observed a positive correlation between log KPW and log octanol/water partition coefficient values. Field testing of silicone rubber passive samplers was undertaken though exposure in the River Alna (Norway) for an exposure time of 21 d to estimate freely dissolved concentration. Some fragrances and UV filters were predominant over other emerging and regulated contaminants, at levels up to 1600 ng L(-1) for galaxolide and 448 ng L(-1) for octocrylene. Environ Toxicol Chem 2016;35:2162-2172. © 2016 SETAC.

  4. Determination of protonation macro- and microconstants and octanol/water partition coefficient of the antiinflammatory drug niflumic acid.

    PubMed

    Takács-Novák, K; Avdeef, A; Box, K J; Podányi, B; Szász, G

    1994-11-01

    The drug niflumic acid is an amphoteric substance with overlapping pKa values. The acid-base chemistry of the molecule has been characterized in terms of protonation macroconstants (with reference to stoichiometric ionizations) and microconstants (with reference to ionizations of individual species). The proton-binding sites were assigned using 1H and 13C NMR spectroscopy. Due to the very poor water solubility of niflumic acid, the aqueous pKa values were determined from the apparent ionization constants in methanol-water solutions of various proportions by extrapolation to zero co-solvent using the Yasuda-Shedlovsky procedure. The kz tautomerization microconstant of the equilibrium unionized form<-->zwitterionic form was determined from mixtures of organic solvent (dioxane or methanol) with aqueous buffer (at the pH of isoelectric point) by UV spectroscopy, and used for calculation of the other protonation microconstants. The zwitterionic form of the molecule predominates over the uncharged form, the concentration being maximal at the isoelectric pH. The apparent partition coefficients (Papp) of niflumic acid were measured in octanol/water solution by the shake-flask method over a wide pH range. The lipophilicity profile (logPapp vs pH) shows a parabolic shape near its maximum at the isoelectric point. A relationship derived between Papp, PXH0(micropartition coefficient of the uncharged microspecies) and PX-(partition coefficient of the anion) is valid for amphoteric drugs, in cases where the partition of the unionized form and the ion-pair partition of anion can be confirmed. The logP values of microspecies indicate the high lipophilicity of niflumic acid, which is consistent with its good skin penetration and absorption.

  5. Octanol-water partition coefficients for predicting the effects of tannins in ruminant nutrition.

    PubMed

    Mueller-Harvey, Irene; Mlambo, Victor; Sikosana, Joe L N; Smith, Tim; Owen, Emyr; Brown, Ron H

    2007-07-11

    Tannins can cause beneficial or harmful nutritional effects, but their great diversity has until now prevented a rational distinction between tannin structures and their nutritional responses. An attempt has been made to study this problem by examining the octanol-water solubilities of tannins. A relatively simple HPLC method has been developed for screening mixtures of plant tannins for their octanol-water partition coefficients (Kow coefficients). Tannins were isolated from the fruits and leaves of different Acacia, Calliandra, Dichrostachys, and Piliostigma species, which are known to produce beneficial or harmful effects. The Kow coefficients of these tannins ranged from 0.061 to 13.9, average coefficients of variation were 9.2% and recoveries were 107%. Acacia nilotica fruits and leaves had the highest Kow coefficients, that is, 2.0 and 13.9, respectively. These A. nilotica products also have high concentrations of tannins. The combined effects of high octanol solubilities and high tannin concentrations may explain their negative effects on animal nutrition and health. It is known that compounds with high octanol solubilities are more easily absorbed into tissues, and it is, therefore, proposed that such compounds are more likely to cause toxicity problems especially if consumed in large quantities. According to the literature, tannins in human foods tend to have low Kow coefficients, and this was confirmed for the tannins in Piliostigma thonningii fruits. Therefore, unconventional feeds or browse products should be screened not only for their tannin concentrations but also for low octanol-water partition coefficients in order to identify nutritionally safe feeds and to avoid potentially toxic feeds.

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

    PubMed

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

    2016-05-05

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

  7. Slip flow coefficient analysis in water hydraulics gear pump for environmental friendly application

    NASA Astrophysics Data System (ADS)

    Yusof, A. A.; Wasbari, F.; Zakaria, M. S.; Ibrahim, M. Q.

    2013-12-01

    Water hydraulics is the sustainable option in developing fluid power systems with environmental friendly approach. Therefore, an investigation on water-based external gear pump application is being conducted, as a low cost solution in the shifting effort of using water, instead of traditional oil hydraulics in fluid power application. As the gear pump is affected by fluid viscosity, an evaluation has been conducted on the slip flow coefficient, in order to understand to what extent the spur gear pump can be used with water-based hydraulic fluid. In this paper, the results of a simulated study of variable-speed fixed displacement gear pump are presented. The slip flow coefficient varies from rotational speed of 250 RPM to 3500 RPM, and provides volumetric efficiency ranges from 9 % to 97% accordingly.

  8. Temperature and water vapor pressure effects on the friction coefficient of hydrogenated diamondlike carbon films.

    SciTech Connect

    Dickrell, P. L.; Sawyer, W. G.; Eryilmaz, O. L.; Erdemir, A.; Energy Technology; Univ. of Florida

    2009-07-01

    Microtribological measurements of a hydrogenated diamondlike carbon film in controlled gaseous environments show that water vapor plays a significant role in the friction coefficient. These experiments reveal an initial high friction transient behavior that does not reoccur even after extended periods of exposure to low partial pressures of H{sub 2}O and O{sub 2}. Experiments varying both water vapor pressure and sample temperature show trends of a decreasing friction coefficient as a function of both the decreasing water vapor pressure and the increasing substrate temperature. Theses trends are examined with regard to first order gas-surface interactions. Model fits give activation energies on the order of 40 kJ/mol, which is consistent with water vapor desorption.

  9. MODIS-based retrieval of suspended sediment concentration and diffuse attenuation coefficient in Chinese estuarine and coastal waters

    NASA Astrophysics Data System (ADS)

    Sokoletsky, Leonid; Yang, Xianping; Shen, Fang

    2014-11-01

    Radiative transfer modelling in atmosphere, water, and on the air-water surface was used to create an algorithm and computer code for satellite monitoring Chinese estuarine and coastal waters. The atmospheric part of the algorithm is based on the Reference Evaluation of Solar Transmittance (REST) model for calculation of optical properties of the atmosphere from the top of the atmosphere to the target; for modelling optical properties from target towards satellite's sensor, an optical reciprocity principle has been used. An algorithm uses estimates derived from three different sources: 1) the MODIS-based software; 2) radiative transfer equations, and 3) well-known empirical relationships between measured parameters and optical depths and transmittances for such atmospheric components as molecules, aerosols, ozone, nitrogen dioxide, precipitable water vapor and uniformly mixed gases. Using this model allowed us to derive a reliable relationship relating an important parameter, the diffuse-to-global solar incoming irradiance ratio, to the aerosol optical thickness, solar zenith angle and wavelength. The surface and underwater parts of the algorithm contained theoretical and semi-empirical relationships between inherent (such as absorption, scattering and backscattering coefficients) and apparent (remote-sensing reflectance and diffuse attenuation coefficient, Kd) optical properties, and suspended sediment concentration (SSC) measured in the Yangtze River Estuary and its adjacent coastal area. The first false colour maps of SSC and Kd demonstrated a well accordance with the multi-year field observations in the region, and suggest promise for use of this algorithm for the regular monitoring of Chinese and worldwide natural waters.

  10. Trophic Magnification of PCBs and Its Relationship to the Octanol−Water Partition Coefficient

    EPA Science Inventory

    We investigated polychlorinated biphenyl (PCB) bioaccumulation relative to octanol-water partition coefficient (KOW) and organism trophic position (TP) at the Lake Hartwell Superfund (South Carolina, USA). We measured PCBs (127 congeners) and stable isotopes (δ15...

  11. Diffusion coefficients of water in biobased hydrogel polymer matrices by nuclear magnetic resonance imaging

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The diffusion coefficient of water in biobased hydrogels were measured utilizing a simple NMR method. This method tracks the migration of deuterium oxide through imaging data that is fit to a diffusion equation. The results show that a 5 wt% soybean oil based hydrogel gives aqueous diffusion of 1.37...

  12. Improvement of the variable storage coefficient method with water surface gradient as a variable

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The variable storage coefficient (VSC) method has been used for streamflow routing in continuous hydrological simulation models such as the Agricultural Policy/Environmental eXtender (APEX) and the Soil and Water Assessment Tool (SWAT) for more than 30 years. APEX operates on a daily time step and ...

  13. Information-theoretic indices usage for the prediction and calculation of octanol-water partition coefficient.

    PubMed

    Persona, Marek; Kutarov, Vladimir V; Kats, Boris M; Persona, Andrzej; Marczewska, Barbara

    2007-01-01

    The paper describes the new prediction method of octanol-water partition coefficient, which is based on molecular graph theory. The results obtained using the new method are well correlated with experimental values. These results were compared with the ones obtained by use of ten other structure correlated methods. The comparison shows that graph theory can be very useful in structure correlation research.

  14. Effect of water absorption on the mechanical properties of poly(3-hydroxybutyrate)/vegetable fiber composites

    NASA Astrophysics Data System (ADS)

    Marinho, Vithória A. D.; Carvalho, Laura H.; Canedo, Eduardo L.

    2015-05-01

    The present work studies the effect of water absorption on the performance of composites of poly(3-hydroxybutyrate) (PHB) - a fully biodegradable semi-crystalline thermoplastic obtained from renewable resources through low-impact biotechnological process, biocompatible and non-toxic - and vegetable fiber from the fruit (coconut) of babassu palm tree.Water resistance is an important characteristic of structural composites, that may exposed to rain and humid environments. Both water absorption capacity (water solubility in the material) and the rate of water absorption (controlled by the diffusivity of water in the material) are important parameters. However, water absorption per se may not be the most important characteristic, insofar as the performance and applications of the compounds. It is the effect of the water content on the ultimate properties that determine the suitability of the material for applications that involve prolonged exposure to water.PHB/babassu composites with 0-20% load were prepared in an internal mixer. Two different types of babassu fibers having two different article size ranges were compounded with PHB and test specimens molded by compression. The water absorption capacity and the kinetic constant of water absorption were measured in triplicate. Mechanical properties under tension were measured for dry and moist specimens with different amounts of absorbed water.Results indicate that the performance of the composites is comparable to that of the pure matrix. Water absorption capacity increases from 0.7% (pure PHB) to 4% (PHB/20% babassu), but the water diffusivity (4.10□8 cm2/s) was found to be virtually independent of the water absorption level. Water absorption results in moderate drop in elastic modulus (10-30% at saturation, according to fiber content) but has little effect on tensile strength and elongation at break. Fiber type and initial particle size do not have a significant effect on water absorption or mechanical properties.

  15. Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.

    PubMed

    Bhatnagar, Navendu; Kamath, Ganesh; Chelst, Issac; Potoff, Jeffrey J

    2012-07-07

    The 1-octanol-water partition coefficient log K(ow) of a solute is a key parameter used in the prediction of a wide variety of complex phenomena such as drug availability and bioaccumulation potential of trace contaminants. In this work, adaptive biasing force molecular dynamics simulations are used to determine absolute free energies of hydration, solvation, and 1-octanol-water partition coefficients for n-alkanes from methane to octane. Two approaches are evaluated; the direct transfer of the solute from 1-octanol to water phase, and separate transfers of the solute from the water or 1-octanol phase to vacuum, with both methods yielding statistically indistinguishable results. Calculations performed with the TIP4P and SPC∕E water models and the TraPPE united-atom force field for n-alkanes show that the choice of water model has a negligible effect on predicted free energies of transfer and partition coefficients for n-alkanes. A comparison of calculations using wet and dry octanol phases shows that the predictions for log K(ow) using wet octanol are 0.2-0.4 log units lower than for dry octanol, although this is within the statistical uncertainty of the calculation.

  16. Gamma radiation induces hydrogen absorption by copper in water

    PubMed Central

    Lousada, Cláudio M.; Soroka, Inna L.; Yagodzinskyy, Yuriy; Tarakina, Nadezda V.; Todoshchenko, Olga; Hänninen, Hannu; Korzhavyi, Pavel A.; Jonsson, Mats

    2016-01-01

    One of the most intricate issues of nuclear power is the long-term safety of repositories for radioactive waste. These repositories can have an impact on future generations for a period of time orders of magnitude longer than any known civilization. Several countries have considered copper as an outer corrosion barrier for canisters containing spent nuclear fuel. Among the many processes that must be considered in the safety assessments, radiation induced processes constitute a key-component. Here we show that copper metal immersed in water uptakes considerable amounts of hydrogen when exposed to γ-radiation. Additionally we show that the amount of hydrogen absorbed by copper depends on the total dose of radiation. At a dose of 69 kGy the uptake of hydrogen by metallic copper is 7 orders of magnitude higher than when the absorption is driven by H2(g) at a pressure of 1 atm in a non-irradiated dry system. Moreover, irradiation of copper in water causes corrosion of the metal and the formation of a variety of surface cavities, nanoparticle deposits, and islands of needle-shaped crystals. Hence, radiation enhanced uptake of hydrogen by spent nuclear fuel encapsulating materials should be taken into account in the safety assessments of nuclear waste repositories. PMID:27086752

  17. Micropulse water vapor differential absorption lidar: transmitter design and performance.

    PubMed

    Nehrir, Amin R; Repasky, Kevin S; Carlsten, John L

    2012-10-22

    An all diode-laser-based micropulse differential absorption lidar (DIAL) laser transmitter for tropospheric water vapor and aerosol profiling is presented. The micropulse DIAL (MPD) transmitter utilizes two continuous wave (cw) external cavity diode lasers (ECDL) to seed an actively pulsed, overdriven tapered semiconductor optical amplifier (TSOA). The MPD laser produces up to 7 watts of peak power over a 1 µs pulse duration (7 µJ) and a 10 kHz pulse repetition frequency. Spectral switching between the online and offline seed lasers is achieved on a 1Hz basis using a fiber optic switch to allow for more accurate sampling of the atmospheric volume between the online and offline laser shots. The high laser spectral purity of greater than 0.9996 coupled with the broad tunability of the laser transmitter will allow for accurate measurements of tropospheric water vapor in a wide range of geographic locations under varying atmospheric conditions. This paper describes the design and performance characteristics of a third generation MPD laser transmitter with enhanced laser performance over the previous generation DIAL system.

  18. Gamma radiation induces hydrogen absorption by copper in water.

    PubMed

    Lousada, Cláudio M; Soroka, Inna L; Yagodzinskyy, Yuriy; Tarakina, Nadezda V; Todoshchenko, Olga; Hänninen, Hannu; Korzhavyi, Pavel A; Jonsson, Mats

    2016-04-18

    One of the most intricate issues of nuclear power is the long-term safety of repositories for radioactive waste. These repositories can have an impact on future generations for a period of time orders of magnitude longer than any known civilization. Several countries have considered copper as an outer corrosion barrier for canisters containing spent nuclear fuel. Among the many processes that must be considered in the safety assessments, radiation induced processes constitute a key-component. Here we show that copper metal immersed in water uptakes considerable amounts of hydrogen when exposed to γ-radiation. Additionally we show that the amount of hydrogen absorbed by copper depends on the total dose of radiation. At a dose of 69 kGy the uptake of hydrogen by metallic copper is 7 orders of magnitude higher than when the absorption is driven by H2(g) at a pressure of 1 atm in a non-irradiated dry system. Moreover, irradiation of copper in water causes corrosion of the metal and the formation of a variety of surface cavities, nanoparticle deposits, and islands of needle-shaped crystals. Hence, radiation enhanced uptake of hydrogen by spent nuclear fuel encapsulating materials should be taken into account in the safety assessments of nuclear waste repositories.

  19. Gamma radiation induces hydrogen absorption by copper in water

    NASA Astrophysics Data System (ADS)

    Lousada, Cláudio M.; Soroka, Inna L.; Yagodzinskyy, Yuriy; Tarakina, Nadezda V.; Todoshchenko, Olga; Hänninen, Hannu; Korzhavyi, Pavel A.; Jonsson, Mats

    2016-04-01

    One of the most intricate issues of nuclear power is the long-term safety of repositories for radioactive waste. These repositories can have an impact on future generations for a period of time orders of magnitude longer than any known civilization. Several countries have considered copper as an outer corrosion barrier for canisters containing spent nuclear fuel. Among the many processes that must be considered in the safety assessments, radiation induced processes constitute a key-component. Here we show that copper metal immersed in water uptakes considerable amounts of hydrogen when exposed to γ-radiation. Additionally we show that the amount of hydrogen absorbed by copper depends on the total dose of radiation. At a dose of 69 kGy the uptake of hydrogen by metallic copper is 7 orders of magnitude higher than when the absorption is driven by H2(g) at a pressure of 1 atm in a non-irradiated dry system. Moreover, irradiation of copper in water causes corrosion of the metal and the formation of a variety of surface cavities, nanoparticle deposits, and islands of needle-shaped crystals. Hence, radiation enhanced uptake of hydrogen by spent nuclear fuel encapsulating materials should be taken into account in the safety assessments of nuclear waste repositories.

  20. Surface activity coefficients of spread monolayers of behenic acid salts at air-water interface.

    PubMed

    Chattoraj, D K; Halder, E; Das, K P; Mitra, A

    2006-11-16

    The pressure-area isotherms of ionized monolayers of behenic acid at air-water interface at pH 12.0 have been obtained from the Langmuir film balance experiments under various physico-chemical conditions. The value of the measured surface pressure at a given area per molecule is equal to the sum of the ideal pressure, cohesive pressure and electrical pressure. The electrical pressure term is regarded as the sum of the pressure originating from the Gouy-Chapman double layer including discrete ion effect, ion binding and monolayer hydration effect. At a given area, the deviation of the measured surface pressure from its ideal value has been calculated in terms of the apparent surface compressibility coefficients, surface fugacity coefficients for gaseous monolayer and surface activity coefficients of solute forming two-dimensional solutions in the monolayer phase respectively. Values of all these coefficients have been calculated for different compositions of the monolayer using non-ideal gas model and Raoult's and Henry's laws modified for two-dimensional non-ideal solutions respectively. Values of these coefficients may be higher or lower than unity depending upon ionic strengths and nature of inorganic salts present in the sub-phase. Using these values of surface activity coefficients, the standard free energies of formation, of spread monolayers of salts of behenic acid have been calculated at different standard states of reference.

  1. Comparison of activity coefficient models for atmospheric aerosols containing mixtures of electrolytes, organics, and water

    NASA Astrophysics Data System (ADS)

    Tong, Chinghang; Clegg, Simon L.; Seinfeld, John H.

    Atmospheric aerosols generally comprise a mixture of electrolytes, organic compounds, and water. Determining the gas-particle distribution of volatile compounds, including water, requires equilibrium or mass transfer calculations, at the heart of which are models for the activity coefficients of the particle-phase components. We evaluate here the performance of four recent activity coefficient models developed for electrolyte/organic/water mixtures typical of atmospheric aerosols. Two of the models, the CSB model [Clegg, S.L., Seinfeld, J.H., Brimblecombe, P., 2001. Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds. Journal of Aerosol Science 32, 713-738] and the aerosol diameter dependent equilibrium model (ADDEM) [Topping, D.O., McFiggans, G.B., Coe, H., 2005. A curved multi-component aerosol hygroscopicity model framework: part 2—including organic compounds. Atmospheric Chemistry and Physics 5, 1223-1242] treat ion-water and organic-water interactions but do not include ion-organic interactions; these can be referred to as "decoupled" models. The other two models, reparameterized Ming and Russell model 2005 [Raatikainen, T., Laaksonen, A., 2005. Application of several activity coefficient models to water-organic-electrolyte aerosols of atmospheric interest. Atmospheric Chemistry and Physics 5, 2475-2495] and X-UNIFAC.3 [Erdakos, G.B., Change, E.I., Pandow, J.F., Seinfeld, J.H., 2006. Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water—Part 3: Organic compounds, water, and ionic constituents by consideration of short-, mid-, and long-range effects using X-UNIFAC.3. Atmospheric Environment 40, 6437-6452], include ion-organic interactions; these are referred to as "coupled" models. We address the question—Does the inclusion of a treatment of ion-organic interactions substantially improve the performance of the coupled models over

  2. Salting-out phenomenon and 1-octanol/water partition coefficient of metalaxyl pesticide.

    PubMed

    Saab, J; Bassil, G; Abou Naccoul, R; Stephan, J; Mokbel, I; Jose, J

    2011-02-01

    In this paper, we present the effect of inorganic cations such as Na+, K+, Ca2+, Mg2+ on the salting-out phenomenon of metalaxyl from pure water to aqueous salt solutions. Moreover the 1-octanol/water partition coefficient in pure water is presented. To accomplish this, aqueous solubility of metalaxyl was determined in pure water, in different salt solution (NaCl, KCl, CaCl2 and MgCl2), and at different concentration level ranging from 0.01 to 1.5 M. The 1-octanol/water partition coefficient was determined using the static shake-flask method. Solubility was determined using dynamic saturation method for pure water in the range of 298.15-325.15 K and at 298.15 K for different salt solutions. The solubility value in pure water for studied interval was found constant (m=3.118×10(-2) mol kg(-1)). Solubility values were used to calculate the standard molar Gibbs free energy of dissolution (ΔsolG°) and transfer (ΔtrG°) at 298.15 K. The values of ΔtrG° from pure to all studied aqueous salt solutions did not exceed 2 kJ mol(-1), the value of ΔsolG° of dissolution is 18.5 ±0.72 kJ mol(-1). The 1-octanol/water partition coefficient in pure water log Ko/w is equal to 1.69. The obtained results confirm the classification of the neutral metalaxyl as a slightly hydrophobic molecule.

  3. [Impact of Light Polarization on the Measurement of Water Particulate Backscattering Coefficient].

    PubMed

    Liu, Jia; Gong, Fang; He, Xian-qiang; Zhu, Qian-kun; Huang, Hai-qing

    2016-01-01

    Particulate backscattering coefficient is a main inherent optical properties (IOPs) of water, which is also a determining factor of ocean color and a basic parameter for inversion of satellite ocean color remote sensing. In-situ measurement with optical instruments is currently the main method for obtaining the particulate backscattering coefficient of water. Due to reflection and refraction by the mirrors in the instrument optical path, the emergent light source from the instrument may be partly polarized, thus to impact the measurement accuracy of water backscattering coefficient. At present, the light polarization of measuring instruments and its impact on the measurement accuracy of particulate backscattering coefficient are still poorly known. For this reason, taking a widely used backscattering coefficient measuring instrument HydroScat6 (HS-6) as an example in this paper, the polarization characteristic of the emergent light from the instrument was systematically measured, and further experimental study on the impact of the light polarization on the measurement accuracy of the particulate backscattering coefficient of water was carried out. The results show that the degree of polarization(DOP) of the central wavelength of emergent light ranges from 20% to 30% for all of the six channels of the HS-6, except the 590 nm channel from which the DOP of the emergent light is slightly low (-15%). Therefore, the emergent light from the HS-6 has significant polarization. Light polarization has non-neglectable impact on the measurement of particulate backscattering coefficient, and the impact degree varies with the wave band, linear polarization angle and suspended particulate matter (SPM) concentration. At different SPM concentrations, the mean difference caused by light polarization can reach 15.49%, 11.27%, 12.79%, 14.43%, 13.76%, and 12.46% in six bands, 420, 442, 470, 510, 590, and 670 nm, respectively. Consequently, the impact of light polarization on the

  4. STUDY OF NON-UNIFORMITY COEFFICIENT CONSIDERING MICROTOPOGRAPHY FOR SEISMIC DESIGN OF WATER PIPELINE

    NASA Astrophysics Data System (ADS)

    Shichiroumaru, Kazutaka; Miyajima, Masakatsu

    This study is focusing on a non-uniformity coefficient of ground in the earthquake-resistant of a water pipeline. A lot of earthquake damage occurs at high non-uniformity ground. Therefore it is necessary to consider non-uniformity at the earthquake-resistant of the underground pipeline. By using a microtopography classification, non-uniformity coefficient in the boundary in the microtopography is studied. As a result, earthquake damage rate of underground pipeline at the boundary of the microtopography tends to be high. Therefore, the non-uniformity at the boundary can be obtained from a kind of microtopography and the boundary condition.

  5. Measurement of the Two-photon Absorption Coefficient of Gallium Phosphide (GaP) Using a Dispersion-minimized Sub-10 Femtosecond Z-scan Measurement System

    DTIC Science & Technology

    2012-09-01

    bandwidth of the pulse. Using the standard laboratory and analysis methods of Sheik- Bahae et al., we obtain a two-photon absorption coefficient, β, of...organic thin-film materials deposited on various substrates. 15 6. References 1. Sheik- Bahae , M.; Said, A. A.; Van Stryland, E. W. High...sensitivity, Single-beam n2 Measurements. Optics Letters 1989, 14 (17). 2. Sheik- Bahae , M.; Said, A. A.; Van Stryland, E. W.; Wei, T-H; Hagan, D. J

  6. Exponential Sum Absorption Coefficients of Phosphine from 2750 to 3550/cm for Application to Radiative Transfer Analyses on Jupiter and Saturn

    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.

  7. Control of optical bandgap energy and optical absorption coefficient by geometric parameters in sub-10 nm silicon-nanodisc array structure

    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.

  8. Influence of size, proportion, and absorption coefficient of spherical scatterers on the degree of light polarization and the grain size of speckle pattern.

    PubMed

    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.

  9. Measurement of the mass energy-absorption coefficient of air for x-rays in the range from 3 to 60 keV.

    PubMed

    Buhr, H; Büermann, L; Gerlach, M; Krumrey, M; Rabus, H

    2012-12-21

    For the first time the absolute photon mass energy-absorption coefficient of air in the energy range of 10 to 60 keV has been measured with relative standard uncertainties below 1%, considerably smaller than those of up to 2% assumed for calculated data. For monochromatized synchrotron radiation from the electron storage ring BESSY II both the radiant power and the fraction of power deposited in dry air were measured using a cryogenic electrical substitution radiometer and a free air ionization chamber, respectively. The measured absorption coefficients were compared with state-of-the art calculations and showed an average deviation of 2% from calculations by Seltzer. However, they agree within 1% with data calculated earlier by Hubbell. In the course of this work, an improvement of the data analysis of a previous experimental determination of the mass energy-absorption coefficient of air in the range of 3 to 10 keV was found to be possible and corrected values of this preceding study are given.

  10. [Absorption Characteristics of Particulates and CDOM in Waters of Chagan Lake and Xinlicheng Reservoir in Autumn].

    PubMed

    Li, Si-jia; Song, Kai-shan; Zhao, Ying; Mu, Guang-yi; Shao, Tian-tian; Ma, Jian-hang

    2016-01-15

    Field surveys and laboratory analysis were carried out in Chagan Lake and Xinlicheng Reservoir under different salinity conditions in September 2012. In the laboratory, the absorption coefficients of particulates and chromophoric dissolved organic matter (CDOM) were measured, aiming to compare the absorption features, source of optical active substances and relative contribution of optical active constituents over the range of PAR (400-700 nm) in Chagan Lake and Xinlicheng Reservoir. The results showed that the Chagan Lake and Xinlicheng Reservoir were water bodies with medium eutrophication in autumn by TAL nutrient index and the absorption spectra of particulates matters were similar to those of phytoplankton. For the Chagan Lake with high salinity( EC = 988. 87 micro S x cm(-1)), the total particulate absorption was dominated by the nonalgal particles, and the contribution rate was in the order of nonalgal particles > phytoplankton > CDOM. For the Xinlicheng Reservoir with low salinity (EC = 311.67 microS x -cm(-1)), the total particulate absorption was dominated by the phytoplankton, and the contribution rate was ranked as phytoplankton > nonalgal particles > CDOM. Positive correlation was observed between a(p) (440), a(p) (675), a(d) (440) and total suspended matter (TSM), inorganic suspended matter (ISM), organic suspended matter (OSM) and Chl-a respectively in Chagan Lake, with correlation coefficients all above 0.55. Positive correlation was observed between a(p)(440), a(p) (675) and Chl-a (0.77 and 0.85, P < 0.05) , so did a(d) (440) and ISM (0.74, P < 0.01), while negative correlation was observed between a(p) (440) and OSM in the Xinlicheng Reservoir. In terms of Chagan Lake, negative correlation was merely observed between a(g) (440) and OSM (-0.54, P < 0.05) , but not in the Xinlicheng Reservoir. Both Sg, which was calculated by the fitting absorption curve from 250 to 400 nm, and relative molecular weight M showed that Sg[ (0.021 +/- 0.001) m(-1)] in

  11. Nonlinear absorption coefficient and optically detected electrophonon resonance in cylindrical GaAs/AlAs quantum wires with different confined phonon models

    NASA Astrophysics Data System (ADS)

    Khoa, Doan Quoc; Phuong, Le Thi Thu; Hoi, Bui Dinh

    2017-03-01

    A quantum kinetic equation for electrons interacting with confined phonons is used to investigate the nonlinear absorption of an intense electromagnetic wave by electrons in cylindrical GaAs/AlAs quantum wires. The analytic expression for absorption coefficient is calculated for three models of confined optical phonons: the dielectric continuum (DC), hydrodynamic continuum (HC), and Huang-Zhu (HZ) models. The absorption coefficient depends on the square of the electromagnetic wave amplitude. The electrophonon resonance and optically detected electrophonon resonance (ODEPR) are observed through the absorption spectrum. The full width at half maximum (the line-width) of the ODEPR peaks is obtained by a computational method. The line-width is found to increase with increasing temperature and decrease with increasing the quantum wire radius. In particular, numerical results show that the DC and HZ models lead to a similar behaviour of electron - confined phonon interaction whereas the HC model results in a quite different one, especially at small quantum wire radius. For large quantum wire radii, above mentioned phonon models have equivalent contributions to the ODEPR line-width.

  12. Light absorption properties of CDOM in the Changjiang (Yangtze) estuarine and coastal waters: An alternative approach for DOC estimation

    NASA Astrophysics Data System (ADS)

    Yu, Xiaolong; Shen, Fang; Liu, Yangyang

    2016-11-01

    Field measurements of CDOM absorption properties and DOC concentrations were collected in the Changjiang estuarine and coastal waters from 2011 to 2013. CDOM absorption coefficient at 355 nm (ag (355)) was found to be inversely correlated with salinity, with Pearson's coefficients r of -0.901 and -0.826 for summer and winter observations, respectively. Analysis results of the relationships between salinity and CDOM optical properties (i.e., absorption coefficient and spectral slope) suggested that terrigenous inputs dominated CDOM sources in the Changjiang estuary, but the proportion of terrigenous CDOM declined with increasing salinity. The level of CDOM in the Changjiang estuary was lower compared to some of the major estuaries in the world, which could be attributed to several controlling factors such as vegetation cover in the drainage basin, the origin of recharged streams and high sediment load in the Changjiang estuary. We further evaluated the relationships between CDOM and DOC and their mixing behavior among world's major estuaries. An empirical model was finally developed to estimate DOC concentration from ag (355) and spectral slope S275-295 using a non-linear regression. This empirical relationship was calibrated using the Cal dataset, and was validated with the Val dataset, resulting in an acceptable error with the R2 of 0.746, the RMSE of 20.99 μmol/L and the rMAD of 14.46%.

  13. He-broadening and shift coefficients of water vapor lines in infrared spectral region

    NASA Astrophysics Data System (ADS)

    Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Deichuli, V. M.; Starikov, V. I.

    2015-11-01

    The water vapor line broadening and shift coefficients in the ν1+ν2, ν2+ν3, ν1+ν3, 2ν3, 2ν1, 2ν2+ν3, and ν1+2ν2 vibrational bands induced by helium pressure were measured using a Bruker IFS 125HR spectrometer. The vibrational bands 2ν3 and ν1+2ν2 were investigated for the first time. The interaction potential used in the calculations of broadening and shift coefficients was chosen as the sum of pair potentials, which were modeled by the Lennard-Jones (6-12) potentials. The vibrational and rotational contributions to this potential were obtained by use of the intermolecular potential parameters and intramolecular parameters of H2O molecule. The calculated values of the broadening and shift coefficients were compared with the experimental data.

  14. The Development of Effective Classical Potentials and the Quantum Statistical Mechanical Second Virial Coefficient of Water

    SciTech Connect

    Schenter, Gregory K.

    2002-10-08

    The second virial coefficient of water is calculated at low temperature by considering full quantum statistical mechanical effects. At low enough temperatures experimental results are limited and molecular models can be used for accurate extrapolation. In doing so, one must separate inaccuracies of the intermolecular potential from limitations of simulation such as the neglect of higher-order quantum corrections. Effective classical potentials may be used to understand the limitations of classical simulation. In this work we calculate the exact quantum statistical mechanical second virial coefficient and find that using a simple form for the effective classical potential introduced by Miller we are able to reproduce the exact quantum statistical results. This approach provides a significant improvement to conventional first order expansions of the second virial coefficient.

  15. Amount of leachant and water absorption levels of wood treated with borates and water repellents.

    PubMed

    Baysal, Ergun; Sonmez, Abdullah; Colak, Mehmet; Toker, Hilmi

    2006-12-01

    Wood protection efficacy of borates against biological agents, flame retardancy, and suitability to the environment is well known. Since borates can be applied to timber as water based solutions, they are preferred economically as well. Even though they are highly mobile in wood, boron compounds are widely used in timber preservation. Borates migrate in liquid and increase the hygroscopicity of wood in damp conditions. This study deals with the physical restriction of water access in wood by impregnating water repellent agents into wood to limit amount of leachant and water absorption levels of wood after boron treatment. Borates were incorporated with polyethylene glycol-400 (PEG-400) their bulking effect in wood was considered. Results indicated that the amount of leachates from wood treated with borates in PEG-400 was remarkably higher compared to those of wood treated with the aqueous solutions of borates. Water absorption (WA) levels of wood treated with aqueous solutions of borates were higher than those of their treated samples with the solutions in PEG-400. Secondary treatments of wood with the water repellent (WR) chemicals following borate impregnation reduced the leaching of chemicals from wood in water and also WA of the specimens were less than those of the wood treated with only borates from aqueous and PEG solutions. Styrene (St) was the most effective monomer among the other agents used in terms of immobility effect on borates and WA.

  16. Measurement of partition coefficients for selected polycyclic aromatic hydrocarbons between isolated plant cuticles and water.

    PubMed

    Kim, Su-Jin; Lee, Hwang; Kwon, Jung-Hwan

    2014-10-01

    Partition coefficients between plant cuticles and water (Kcutw) were measured for 10 selected polycyclic aromatic hydrocarbons (PAHs) to evaluate the sorption capacity of plant cuticular layers for hydrophobic organic chemicals. The partitioning properties of PAHs between cuticles and water were evaluated by using (1) isolated cuticular layers and (2) leaf homogenate. The abaxial and adaxial cuticular layers of Euonymus japonicus were isolated by enzymatic digestion. A third-phase partitioning method using poly(dimethylsiloxane) (PDMS) was used to obtain Kcutw. The Kcutw values for the selected PAHs showed no significant differences between the abaxial and adaxial cuticular layers and ranged between 10(4.1) and 10(7.6). These values are close to or slightly higher than their 1-octanol/water partition coefficient (log Kow), indicating high sorption capacity of plant cuticles. On the contrary, partition coefficients between the lipid tissues of homogenized leaves and water were lower than those obtained using isolated cuticular layers by factors of 3.7-190, which is likely due to the breakdown of lipid layers. This indicates that the sorption of hydrophobic organic chemicals by plant leaves is better evaluated using isolated cuticles and that the sorption potential of plant leaves may be underestimated when leaf homogenates are used.

  17. Crop kites: Determining crop-water production functions using crop coefficients and sensitivity indices

    NASA Astrophysics Data System (ADS)

    Smilovic, Mikhail; Gleeson, Tom; Adamowski, Jan

    2016-11-01

    The crop-water production function quantitatively evaluates the relationship between seasonal water use and crop yield and is used to evaluate optimal irrigation depth and assess the potential of deficit and supplemental irrigation. A simple and easily applicable methodology to develop crop- and region-specific crop-water production functions using crop coefficients and sensitivity-indices is presented. Previous efforts to describe the crop-water production function have not accounted for the effects of the temporal distribution of water use and trivialize the associated variability in yields by assuming an optimized or arbitrary temporal distribution. The temporal distribution of water use throughout the growing season can significantly influence crop yield, and the ability of farmers to manage both the timing and amount of irrigation water may result in higher yields. We propose crop kites, a tool that explicitly acknowledges crop yield as a function of the temporal distribution of water use to both evaluate the complete space of water use and crop yield relationships, and extract from this space specific crop-water production functions. An example for winter wheat is presented using previously validated crop-specific sensitivity indices. Crop-water production functions are extracted from the crop kite related to specific irrigation schedules and temporal distributions of water use. Crop-water production functions associated with maximizing agricultural production agree with previous efforts characterizing the shape as a diminishing curvilinear function. Crop kites provide the tools for water managers and policy makers to evaluate crop- and region-specific agricultural production as it relates to water management and the associated economics, and to determine appropriate policies for developing and supporting the infrastructure to increase water productivity.

  18. An Improvement to a Method for Measuring the Absorption Coefficient of Atmospheric Dust and other Strongly Absorbing Powders

    DTIC Science & Technology

    1975-07-01

    coefficient. Diffuse reflectance spectroscopy, and in particular the Kubelka - Munk (K-M) theory, can provide such information. A convenient method for...34Uber Den Streukoeffizienten Der Kubelka - Munk -Theorie," Z. Naturforsch, 19a, 28. 3. J. B. Gillespie, J. D. Lindberg and L. S. Laude, 1975 " Kubelka ... Munk Optical Coefficients for a Barium Sulfate White Reflectance Standard," Appl. Opt. 14, 807. 4. F. Grum and G. W. Lucky, 1968, "Optical Sphere

  19. Simulation and performance analysis of a quadruple-effect lithium bromide-water absorption

    SciTech Connect

    Grossman, G.; Zaltash, A.; DeVault, R.C.

    1994-04-01

    In order to investigate the possibility of improving utilization of high temperature heat sources, such as natural gas, for absorption chillers, performance simulation has been conducted for a quadruple-effect lithium bromide-water cycle, capable of substantial performance improvement over state-of-the-art double-effect cycles. The system investigated includes four condensers and four desorbers coupled together, forming an extension of the conventional double-effect cycle; based on prior experience, a parallel flow system was perferred over series flow, and double-condenser coupling (DCC) was employed, extending from triple-effect cycles, to further improve performance. A modular computer code for simulation of absorption systems (ABSIM) was used to investigate the performances of the cycle. The simulation was carried out over a range of operating conditions, including investigation of the influence of some major design parameters. A coefficient of performance in the neighborhood of 2.0 (cooling) was calculated at the design point, with a heat supply temperature of 600{degrees}F at the solution outlet from the high temperature desorber. With some optimization of the weak (pumped) solution flowrate and of the solution split among the four desorbers, this COP may be raised above 2.2, without any increase in the heat transfer surface of the system`s components.

  20. Buckminsterfullerene's (C60) octanol-water partition coefficient (Kow) and aqueous solubility.

    PubMed

    Jafvert, Chad T; Kulkarni, Pradnya P

    2008-08-15

    To assess the risk and fate of fullerene C60 in the environment, its water solubility and partition coefficients in various systems are useful. In this study, the log Kow of C60 was measured to be 6.67, and the toluene-water partition coefficient was measured at log Ktw = 8.44. From these values and the respective solubilities of C60 in water-saturated octanol and water-saturated toluene, C60's aqueous solubility was calculated at 7.96 ng/L(1.11 x 10(-11) M) for the organic solvent-saturated aqueous phase. Additionally, the solubility of C60 was measured in mixtures of ethanol-water and tetrahydrofuran-water and modeled with Wohl's equation to confirm the accuracy of the calculated solubility value. Results of a generator column experiment strongly support the hypothesis that clusters form at aqueous concentrations below or near this calculated solubility. The Kow value is compared to those of other hydrophobic organic compounds, and bioconcentration factors for C60 were estimated on the basis of Kow.

  1. Computer-aided identification of the water diffusion coefficient for maize kernels dried in a thin layer

    NASA Astrophysics Data System (ADS)

    Kujawa, Sebastian; Weres, Jerzy; Olek, Wiesław

    2016-07-01

    Uncertainties in mathematical modelling of water transport in cereal grain kernels during drying and storage are mainly due to implementing unreliable values of the water diffusion coefficient and simplifying the geometry of kernels. In the present study an attempt was made to reduce the uncertainties by developing a method for computer-aided identification of the water diffusion coefficient and more accurate 3D geometry modelling for individual kernels using original inverse finite element algorithms. The approach was exemplified by identifying the water diffusion coefficient for maize kernels subjected to drying. On the basis of the developed method, values of the water diffusion coefficient were estimated, 3D geometry of a maize kernel was represented by isoparametric finite elements, and the moisture content inside maize kernels dried in a thin layer was predicted. Validation of the results against experimental data showed significantly lower error values than in the case of results obtained for the water diffusion coefficient values available in the literature.

  2. QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

    PubMed

    Toropov, A A; Toropova, A P; Raska, I

    2008-04-01

    Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the following: n=17, R(2)=0.9841, s=0.634, F=931 (training set); n=7, R(2)=0.9928, s=0.773, F=690 (test set). Using this approach for modeling octanol/water partition coefficient for a set of organic compounds gives a model that is statistically characterized by n=69, R(2)=0.9872, s=0.156, F=5184 (training set) and n=70, R(2)=0.9841, s=0.179, F=4195 (test set).

  3. Self-diffusion coefficient of water in tofu determined by pulsed field gradient nuclear magnetic resonance.

    PubMed

    Hong, Young Shick; Lee, Cherl Ho

    2006-01-11

    The self-diffusion coefficient of water in soybean protein dispersion and tofu was measured by pulsed field gradient (PFG) NMR. A soy protein isolate (SPI) dispersion (6 and 12%, w/w) in water, calcium cross-linked precipitate, and tofu were used for comparison. The self-diffusion coefficient of water (D) in the SPI dispersion, 2.23 x 10(-9) m2/s, was estimated lower than that of free water, 2.6 x 10(-9) m2/s at 25 degrees C, and decreased as the SPI concentration increased. It further decreased by the addition of calcium chloride, reflecting the obstruction effect induced by the precipitates in addition to the hydration and hydrodynamic interaction in the protein dispersion. The two water regions in tofu were interpreted by the two-site Kärger model: D1 and D2 of soft tofu were 2.26 (+/-0.11) x 10(-9) and 6.84 (+/-0.34) x 10(-11) m2/s, respectively. The relative amount of proton (water) was p1 = 0.98 and p2 = 0.02 at 100 ms of diffusion time. The self-diffusion coefficients of water decreased in pressed tofu, and their relative amounts of water changed to p1 = 0.93 and p2 = 0.07. It was suggested that D1 corresponded to obstructed water in the network structure and D2 corresponded to hydrated water on the surface layer of pores formed in the protein network of tofu. The pore sizes estimated from the diffusion length of obstructed water were 21.3 microm in soft tofu and 20.8 microm in pressed tofu. The removal of fat from pressed tofu led to a decrease in D2 from 6.26 (+/-0.31) x 10(-11) to 3.53 (+/-0.18) x 10(-11) m2/s, and the relative amount of hydrated water increased from 0.07 to 0.14, which indicated hydrophobic hydration.

  4. Octanol-water partition coefficients of substituted alpha, N-diphenylnitrones and benzonitrile N-oxides

    SciTech Connect

    Kirchner, J.J.; Acree, W.E. Jr.; Leo, A.J.; Gelli, G.

    1985-10-01

    Experimental octanol-water partition coefficients are reported for substituted alpha, N-diphenylnitrones and benzonitrile N-oxides. The results of these measurements are used to calculate the aromatic fragment constants pi HC = N(O)C6H5, pi C = N----O, fHC = N(O), and fC = N----O for the group contribution methods of Hansch and Leo.

  5. The influence of the surface composition of mixed monolayer films on the evaporation coefficient of water.

    PubMed

    Miles, Rachael E H; Davies, James F; Reid, Jonathan P

    2016-07-20

    We explore the dependence of the evaporation coefficient of water from aqueous droplets on the composition of a surface film, considering in particular the influence of monolayer mixed component films on the evaporative mass flux. Measurements with binary component films formed from long chain alcohols, specifically tridecanol (C13H27OH) and pentadecanol (C15H31OH), and tetradecanol (C14H29OH) and hexadecanol (C16H33OH), show that the evaporation coefficient is dependent on the mole fractions of the two components forming the monolayer film. Immediately at the point of film formation and commensurate reduction in droplet evaporation rate, the evaporation coefficient is equal to a mole fraction weighted average of the evaporation coefficients through the equivalent single component films. As a droplet continues to diminish in surface area with continued loss of water, the more-soluble, shorter alkyl chain component preferentially partitions into the droplet bulk with the evaporation coefficient tending towards that through a single component film formed simply from the less-soluble, longer chain alcohol. We also show that the addition of a long chain alcohol to an aqueous-sucrose droplet can facilitate control over the degree of dehydration achieved during evaporation. After undergoing rapid gas-phase diffusion limited water evaporation, binary aqueous-sucrose droplets show a continued slow evaporative flux that is limited by slow diffusional mass transport within the particle bulk due to the rapidly increasing particle viscosity and strong concentration gradients that are established. The addition of a long chain alcohol to the droplet is shown to slow the initial rate of water loss, leading to a droplet composition that remains more homogeneous for a longer period of time. When the sucrose concentration has achieved a sufficiently high value, and the diffusion constant of water has decreased accordingly so that bulk phase diffusion arrest occurs in the monolayer

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

    PubMed

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

    2010-06-15

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

  7. Iron analysis in atmospheric water samples by atomic absorption spectroscopy (AAS) in water-methanol.

    PubMed

    Sofikitis, A M; Colin, J L; Desboeufs, K V; Losno, R

    2004-01-01

    To distinguish between Fe(II) and Fe(III) species in atmospheric water samples, we have adapted an analytical procedure based on the formation of a specific complex between Fe(II) and ferrozine (FZ) on a chromatographic column. After elution of Fe(III), the Fe(II) complex is recovered with water-methanol (4:1). The possibility of trace iron measurements in this complex medium by graphite-furnace atomic-absorption spectrometry has been investigated. A simplex optimization routine was required to complete the development of the analytical method.

  8. Various contributions to the osmotic second virial coefficient in protein-water-cosolvent solutions.

    PubMed

    Shulgin, Ivan L; Ruckenstein, Eli

    2008-11-20

    An analysis of the cosolvent concentration dependence of the osmotic second virial coefficient (OSVC) in water-protein-cosolvent mixtures is developed. The Kirkwood-Buff fluctuation theory for ternary mixtures is used as the main theoretical tool. On its basis, the OSVC is expressed in terms of the thermodynamic properties of infinitely dilute (with respect to the protein) water-protein-cosolvent mixtures. These properties can be divided into two groups: (1) those of infinitely dilute protein solutions (such as the partial molar volume of a protein at infinite dilution and the derivatives of the protein activity coefficient with respect to the protein and water molar fractions) and (2) those of the protein-free water-cosolvent mixture (such as its concentrations, the isothermal compressibility, the partial molar volumes, and the derivative of the water activity coefficient with respect to the water molar fraction). Expressions are derived for the OSVC of ideal mixtures and for a mixture in which only the binary mixed solvent is ideal. The latter expression contains three contributions: (1) one due to the protein-solvent interactions B2(p-s), which is connected to the preferential binding parameter, (2) another one due to protein/protein interactions (B2(p-p)), and (3) a third one representing an ideal mixture contribution (B2(id)). The cosolvent composition dependencies of these three contributions were examined for several water-protein-cosolvent mixtures using experimental data regarding the OSVC and the preferential binding parameter. For the water-lysozyme-arginine mixture, it was found that OSVC exhibits the behavior of an ideal mixture and that B2(id) provides the main contribution to the OSVC. For the other mixtures considered (water-Hm MalDH-NaCl, water-Hm MalDH-(NH4)2SO4, and water-lysozyme-NaCl mixtures), it was found that the contribution of the protein-solvent interactions B2(p-s) is responsible for the composition dependence of the OSVC on the

  9. Lipid-water partition coefficients and correlations with uptakes by algae of organic compounds.

    PubMed

    Hung, Wei-Nung; Chiou, Cary T; Lin, Tsair-Fuh

    2014-08-30

    In view of the scarcity of the lipid-water partition coefficients (Ktw) for organic compounds, the logKtw values for many environmental contaminants were measured using ultra-pure triolein as the model lipid. Classes of compounds studied include alkyl benzenes, halogenated benzenes, short-chain chlorinated hydrocarbons, polycyclic aromatic hydrocarbons, polychlorinated biphenyls, and organochlorine pesticides. In addition to logKtw determination, the uptakes of these compounds from water by a dry algal species were measured to evaluate the lipid effect on the algal uptake. The measured logKtw are closely related to their respective logKow (octanol-water), with logKow=1.9 to 6.5. A significant difference is observed between the present and early measured logKtw for compounds with logKow>∼5, which is attributed to the presence and absence of a triolein microemulsion in water affecting the solute partitioning. The observed lipid-normalized algae-water distribution coefficients (logKaw/lipid) are virtually identical to the respective logKtw values, which manifests the dominant lipid-partition effect of the compounds with algae.

  10. Temperature Dependences of Mechanisms Responsible for the Water-Vapor Continuum Absorption

    NASA Technical Reports Server (NTRS)

    Ma, Qiancheng

    2014-01-01

    The water-vapor continuum absorption plays an important role in the radiative balance in the Earth's atmosphere. It has been experimentally shown that for ambient atmospheric conditions, the continuum absorption scales quadratically with the H2O number density and has a strong, negative temperature dependence (T dependence). Over the years, there have been three different theoretical mechanisms postulated: far-wings of allowed transition lines, water dimers, and collision-induced absorption. The first mechanism proposed was the accumulation of absorptions from the far-wings of the strong allowed transition lines. Later, absorption by water dimers was proposed, and this mechanism provides a qualitative explanation for the continuum characters mentioned above. Despite the improvements in experimental data, at present there is no consensus on which mechanism is primarily responsible for the continuum absorption.

  11. CO2 laser photoacoustic measurements of ethanol absorption coefficients within infrared region of 9.2-10.8 μm

    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.

  12. CO2 laser photoacoustic measurements of ethanol absorption coefficients within infrared region of 9.2-10.8 μm.

    PubMed

    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.

  13. Donor impurity-related optical absorption coefficients and refractive index changes in a rectangular GaAs quantum dot in the presence of electric field

    NASA Astrophysics Data System (ADS)

    Sheng, Wang; Yun, Kang; Xianli, Li

    2016-11-01

    Within the quasi-one-dimensional effective potential model and effective mass approximation, we obtain the wavefunctions and energy eigenvalues of the ground (j = 1) and first 2 excited states (j = 2 and 3) of a donor impurity in a rectangular GaAs quantum dot in the presence of electric field. The donor impurity-related linear and nonlinear optical absorption as well as refractive index changes for the transitions j = 1-2 and j = 2-3 are investigated. The results show that the impurity position, incident optical intensity and electric field play important roles in the optical absorption coefficients and refractive index changes. We find that the impurity effect induces the blueshift for j = 1-2 and redshift for j = 3-2 in the absence of the electric field, but it leads to redshift for j = 1-2 and blueshift for j = 3-2 in the existence of the field. Also, the optical coefficient for the higher energy transitions j = 2-3 is insensitive to variation of impurity positions, while that for the low energy transition j = 1-2 depends significantly on the positions of impurity. In addition, the saturation and splitting phenomenon of the optical absorption are observed as the incident optical intensity increases. Project supported by the Science and Technology Project of Education Department of Heilongjiang Province of China (No. 12541070).

  14. Mass-specific optical absorption coefficients and imaginary part of the complex refractive indices of mineral dust components measured by a multi-wavelength photoacoustic spectrometer

    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.

  15. Compaction Control of Earth-Rock Mixtures: How to Develop and Use Density Interference Coefficients and Optimum Water Content Factors

    DTIC Science & Technology

    1992-04-01

    oversized fraction is substituted for the water content of the oversized fraction Wc . The absorption A is defined as the satu- rated surface- dry water content...approximately within the specified fill place- ment range. In calculating the quantity of water to add, con- sider the air- dry water content of the material

  16. Investigations of the 1 KHZ Sound Absorption in Sea Water.

    DTIC Science & Technology

    1983-01-15

    Experimental Methods 18 I. Introduction 18 2. Spherical Resonator 21 a. Principles of Operation 21 b. Preparation of Samples and the Resonator 24 c... Experimental Procedure 28 3. Temperature jump 34 a. Principles of Operation 34 b. Preparation of Samples 39 c. Measurements and Analysis 40 IV... Experimental Results 42 1. Low Frequency Sound Absorption and Relaxation 42 Frequency Data a. Background 42 b. Resonator Sound Absorption Data 44 c. Accuracy of

  17. Prediction of water-phosphatidylcholine membrane partition coefficient of some drugs from their molecular structures.

    PubMed

    Fatemi, Mohammad Hossein; Moghaddam, Masoomeh Raei

    2012-10-01

    In this work, the phosphatidylcholine membrane-water partition coefficients (MA) of some drugs were estimated from their theoretical derived molecular descriptors by applying quantitative structure-activity relationship (QSAR) methodology. The data set consisted of 46 drugs where their log MA were determined experimentally. Descriptors used in this work were calculated by DRAGON (version 1) package, on the basis of optimized molecular structures, and the most relevant descriptors were selected by stepwise multilinear regressions (MLRs). These descriptors were used to developing linear and nonlinear models by using MLR and artificial neural networks (ANNs), respectively. During this investigation, the best QSAR model was identified when using the ANN model that produced a reasonable level of correlation coefficients (R(train) = 0.995, R(test) = 0.948) and low standard error (SE(train) = 0.099, SE(test) = 0.326). The built model was fully assessed by various validation methods, including internal and external validation test, Y-randomization test, and cross-validation (Q(2) = 0.805). The results of this investigation revealed the applicability of QSAR approaches in the estimation of phosphatidylcholine membrane-water partition coefficients.

  18. Partition coefficients for acetic, propionic, and butyric acids in a crude oil/water system

    SciTech Connect

    Reinsel, M.A.; Borkowski, J.J.; Sears, J.T. . National Science Foundation Engineering Research Center for Biofilm Engineering)

    1994-07-01

    The effects of pH, temperature, and organic acid concentration on the partition coefficients for short-chain organic acids were measured in a crude oil/water system. Acetic, propionic, and butyric acids, as probable substrates for microbial souring of oil reservoirs, were used in conjunction with two types of crude oil. Temperatures of 35--75 C, pH values of 4.0--7.0, and acid concentrations of 10--1,000 mg/L were studied. Initial naturally occurring levels of organic acids in the crude oils were also determined. pH had by far the largest effect on the partition coefficient for all three organic acids for both types oil. At conditions normally seen in an oil reservoir (pH 5--7), the great percentage (85+%) of these acids were dissolved in the aqueous phase. The log of the partition coefficient K increased approximately linearly with the number of carbon atoms in the acid. It was seen that organic acids are readily available carbon sources for sulfate-reducing bacteria (SRB) at normal reservoir conditions, and that crude oil may provide a source of organic acids in a low-pH, water-flooded reservoir.

  19. Limiting activity coefficients of some aromatic and aliphatic nitro compounds in water

    SciTech Connect

    Benes, M.; Dohnal, V.

    1999-09-01

    Limiting activity coefficients of nine nitroaromatic compounds and four nitroalkanes in water were determined in the range of environmentally related temperatures by measuring suitable phase equilibria. For liquid and solid nitroaromatics (nitrobenzene, 2-nitrotoluene, 3-nitrotoluene, 4-nitrotoluene, 2-nitrophenol, 3-nitrophenol, 4-nitrophenol, 1-chloro-2-nitrobenzene, and 1-chloro-4-nitrobenzene) the aqueous solubilities were measured by a conventional batch contacting method with UV spectrophotometric analysis, while for nitroalkanes (nitromethane, nitroethane, 1-nitropropane, and 2-nitropropane) the air-water partitioning (Henry`s law constant H{sub 12} or air-water partition coefficient K{sub aw}) was determined by the inert gas stripping method employing gas chromatography. Whenever possible, results were compared to literature values. Calculation of H{sub 12} or K{sub aw} for nitroaromatics from the measured solubilities is hindered by the lack of reliable vapor pressure data. On the basis of the temperature dependences of the solubilities measured, the enthalpies of solution at infinite dilution for the nitroaromatics in water were evaluated.

  20. Towards quantitative atmospheric water vapor profiling with differential absorption lidar.

    PubMed

    Dinovitser, Alex; Gunn, Lachlan J; Abbott, Derek

    2015-08-24

    Differential Absorption Lidar (DIAL) is a powerful laser-based technique for trace gas profiling of the atmosphere. However, this technique is still under active development requiring precise and accurate wavelength stabilization, as well as accurate spectroscopic parameters of the specific resonance line and the effective absorption cross-section of the system. In this paper we describe a novel master laser system that extends our previous work for robust stabilization to virtually any number of multiple side-line laser wavelengths for the future probing to greater altitudes. In this paper, we also highlight the significance of laser spectral purity on DIAL accuracy, and illustrate a simple re-arrangement of a system for measuring effective absorption cross-section. We present a calibration technique where the laser light is guided to an absorption cell with 33 m path length, and a quantitative number density measurement is then used to obtain the effective absorption cross-section. The same absorption cell is then used for on-line laser stabilization, while microwave beat-frequencies are used to stabilize any number of off-line lasers. We present preliminary results using ∼300 nJ, 1 μs pulses at 3 kHz, with the seed laser operating as a nanojoule transmitter at 822.922 nm, and a receiver consisting of a photomultiplier tube (PMT) coupled to a 356 mm mirror.

  1. Intermolecular potential and second virial coefficient of the water-nitrogen complex.

    PubMed

    Tulegenov, Akyl S; Wheatley, Richard J; Hodges, Matthew P; Harvey, Allan H

    2007-03-07

    The authors construct a rigid-body (five-dimensional) potential energy surface for the water-nitrogen complex using the systematic intermolecular potential extrapolation routine. The intermolecular potential is then extrapolated to the limit of a complete basis set. An analytic fit of this surface is obtained, and, using this, the global minimum energy is found. The minimum is located in an arrangement in which N2 is near the H atom of H2O, almost collinear with the OH bond. The best estimate of the binding energy is 441 cm-1 (1 cm-1 approximately 1.986 43x10(-23) J). The extrapolated potential is then used to calculate the second cross virial coefficient over a wide temperature range (100-3000 K). These calculated second virial coefficients are generally consistent with experimental data, but for the most part the former have smaller uncertainties.

  2. Diffusion coefficients of energetic water group ions near Comet Giacobini-Zinner

    NASA Astrophysics Data System (ADS)

    Tan, L. C.; Mason, G. M.; Richardson, I. G.; Ipavich, F. M.

    1993-03-01

    Data from the ultralow-energy charge analyzer and energetic particle anisotropy spectrometer sensors, acquired when the ICE spacecraft flew past Comet Giacobini-Zinner on September 11, 1985, are combined, and a single, self-consistent analysis technique is applied to derive a single-particle spectrum from about 200 to 1600 km/s. This information, together with the deduced bulk flow speed of the ions, is used to calculate a parallel diffusion coefficient in the transition region downstream of the bow wave (2.3 +/- 0.5) x 10 exp 17 sq cm/s; the corresponding scattering mean free path is (6 +/- 1) x 10 exp 4 km. The parallel diffusion coefficient is found to depend on the collision frequency of water group ions with Alfven waves, which are assumed to be propagating parallel (antiparallel) to the magnetic field.

  3. The impact of absorption coefficient on polarimetric determination of Berry phase based depth resolved characterization of biomedical scattering samples: a polarized Monte Carlo investigation

    SciTech Connect

    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.

  4. Worldwide data sets constrain the water vapor uptake coefficient in cloud formation

    PubMed Central

    Raatikainen, Tomi; Nenes, Athanasios; Seinfeld, John H.; Morales, Ricardo; Moore, Richard H.; Lathem, Terry L.; Lance, Sara; Padró, Luz T.; Lin, Jack J.; Cerully, Kate M.; Bougiatioti, Aikaterini; Cozic, Julie; Ruehl, Christopher R.; Chuang, Patrick Y.; Anderson, Bruce E.; Flagan, Richard C.; Jonsson, Haflidi; Mihalopoulos, Nikos; Smith, James N.

    2013-01-01

    Cloud droplet formation depends on the condensation of water vapor on ambient aerosols, the rate of which is strongly affected by the kinetics of water uptake as expressed by the condensation (or mass accommodation) coefficient, αc. Estimates of αc for droplet growth from activation of ambient particles vary considerably and represent a critical source of uncertainty in estimates of global cloud droplet distributions and the aerosol indirect forcing of climate. We present an analysis of 10 globally relevant data sets of cloud condensation nuclei to constrain the value of αc for ambient aerosol. We find that rapid activation kinetics (αc > 0.1) is uniformly prevalent. This finding resolves a long-standing issue in cloud physics, as the uncertainty in water vapor accommodation on droplets is considerably less than previously thought. PMID:23431189

  5. Octanol-water partition coefficient of benzo(a)pyrene: measurement, calculation, and environmental implications

    SciTech Connect

    Mallon, B.J.; Harrison, F.L.

    1984-03-01

    Benzo(a)pyrene (BaP) is a potent carcinogen produced in significant quantities during pyrolysis of such substances as coal, wood, and cigarettes. Several researchers have shown that the lipophilic storage and soil sediment accumulation of many organic solutes is proportional to the partitioning between octanol-1 and water. The octanol-water partition coefficient (P) is defined as P = C/sub o//C/sub w/, where C/sub o/ and C/sub w/ are the concentration of the solute in n-octanol and water. Considerable data are available demonstrating that P values measured in the laboratory can be used to predict the environmental behavior of organic pollutants. Literature searches reveal that calculated, but not measured, log P values are reported for BaP. This laboratory study was initiated to define better the log P of BaP.

  6. Pressure-broadening and narrowing coefficients and temperature dependence measurements of CO2 at 2.68 μm by laser diode absorption spectroscopy for atmospheric applications.

    PubMed

    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.

  7. Determination of true optical absorption and scattering coefficient of wooden cell wall substance by time-of-flight near infrared spectroscopy.

    PubMed

    Kitamura, Ryunosuke; Inagaki, Tetsuya; Tsuchikawa, Satoru

    2016-02-22

    The true absorption coefficient (μa) and reduced scattering coefficient (μ´s) of the cell wall substance in Douglas fir were determined using time-of-flight near infrared spectroscopy. Samples were saturated with hexane, toluene or quinolone to minimize the multiple reflections of light on the boundary between pore-cell wall substance in wood. μ´s exhibited its minimum value when the wood was saturated with toluene because the refractive index of toluene is close to that of the wood cell wall substance. The optical parameters of the wood cell wall substance calculated were μa = 0.030 mm(-1) and μ´s= 18.4 mm(-1). Monte Carlo simulations using these values were in good agreement with the measured time-resolved transmittance profiles.

  8. Parameter identifiability and Extended Multiple Studies Analysis of a compartmental model for human vitamin A kinetics: fixing fractional transfer coefficients for the initial steps in the absorptive process.

    PubMed

    Park, Hyunjin; Green, Michael H

    2014-03-28

    In the existing compartmental models of human vitamin A metabolism, parameters related to the absorption of the isotopic oral dose have not been well identified. We hypothesised that fixing some poorly identified parameters related to vitamin A absorption would improve parameter identifiability and add statistical certainty to such models. In the present study, data for serum vitamin A kinetics in nine subjects given [2H8]retinyl acetate orally and a model with absorption fixed at 75 % were used to test this hypothesis. In addition to absorption efficiency, we fixed two other fractional transfer coefficients: one representing the initial processing of the ingested dose and the other representing the direct secretion of retinol bound to retinol-binding protein (RBP) from enterocytes into the plasma. The Windows version of Simulation, Analysis and Modeling software (WinSAAM) was used to fit serum tracer data v. time for each subject. Then, a population model was generated by WinSAAM's Extended Multiple Studies Analysis. All the parameters had fractional standard deviations < 0·5, and none of the pairs of parameters had a correlation coefficient >0·8 (accepted criteria for well-identified parameters). Similar to the values predicted by the original model, total traced mass for retinol was 1160 (sd 468) μmol, and the time for retinol to appear in the plasma bound to RBP was 31·3 (sd 4·4) h. In conclusion, we suggest that this approach holds promise for advancing compartmental modelling of vitamin A kinetics in humans when the dose must be administered orally.

  9. A wave based method to predict the absorption, reflection and transmission coefficient of two-dimensional rigid frame porous structures with periodic inclusions

    SciTech Connect

    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.

  10. A wave based method to predict the absorption, reflection and transmission coefficient of two-dimensional rigid frame porous structures with periodic inclusions

    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.

  11. Regional Climate Zone Modeling of a Commercial Absorption Heat Pump Hot Water Heater Part 1: Southern and South Central Climate Zones

    SciTech Connect

    Geoghegan, Patrick J; Shen, Bo; Keinath, Christopher M.; Garrabrant, Michael A.

    2016-01-01

    Commercial hot water heating accounts for approximately 0.78 Quads of primary energy use with 0.44 Quads of this amount from natural gas fired heaters. An ammonia-water based commercial absorption system, if fully deployed, could achieve a high level of savings, much higher than would be possible by conversion to the high efficiency nonheat-pump gas fired alternatives. In comparison with air source electric heat pumps, the absorption system is able to maintain higher coefficients of performance in colder climates. The ammonia-water system also has the advantage of zero Ozone Depletion Potential and low Global Warming Potential. A thermodynamic model of a single effect ammonia-water absorption system for commercial space and water heating was developed, and its performance was investigated for a range of ambient and return water temperatures. This allowed for the development of a performance map which was then used in a building energy modeling software. Modeling of two commercial water heating systems was performed; one using an absorption heat pump and another using a condensing gas storage system. The energy and financial savings were investigated for a range of locations and climate zones in the southern and south central United States. A follow up paper will analyze northern and north/central regions. Results showed that the system using an absorption heat pump offers significant savings.

  12. What is the correct value for the brain: blood partition coefficient for water

    SciTech Connect

    Herscovitch, P.; Raichle, M.E.

    1984-01-01

    A knowledge of the brain: blood partition coefficient (lambda) for water is usually required for the measurement of cerebral blood flow (CBF) with positron emission tomography (PET) and 0-15 labelled water. The correct calculation of this important parameter from the ratio of brain and blood water contents is reviewed, and the effect of physiological variations in these water contents on lambda is demonstrated. The currently accepted value for whole brain lambda is 0.95-0.96 ml/g, calculated from brain and blood water contents of 77g/100g and 80.5g/100g, respectively. However, this value for lambda is incorrect, because in the calculation the blood water content value was not adjusted for the density of blood. The correct value is 0.91 ml/g. Variations in brain or blood water content affect lambda. Over an hematocrit range of 25% to 55%, lambda varies from 0.86 to 0.93 ml/g, due to a decrease in blood water content. lambda changes with age, and varies regionally in the brain, as brain water content is inversely related to lipid and myelin content. The lambda of the human newborn brain, 1.10 ml/g, is considerably higher than in the adult. Differences in lambda between gray and white matter are well known. However, because of variations in water content, the lambda's of thalamus (0.88 ml/g) and caudate nucleus (0.96 ml/g) are less than that of cerebral cortex (0.99 ml/g), while the lambda of corpus callosum (0.89 ml/g) is greater than that of centrum semiovale (0.83 ml/g). These regional variations in lambda will assume more importance as PET resolution improves. The impact of using an incorrect lambda will depend upon the sensitivity of the particular CBF measurement technique to errors in lambda.

  13. Impact of Salinity on the Air-Water Partition Coefficient of Gas Tracers

    SciTech Connect

    Zhong, Lirong; Pope, Gary A.; Evans, John C.; Cameron, Richard J.

    2005-09-01

    The use of a gas partitioning interwell tracer test (PITT) has been proposed as a standard approach to the measurement of field-scale vadose zone water saturation fractions. The accuracy of the saturation measurement is largely dependent on the determination of the air-water partitioning coefficient, K, of the tracers; however, in practice, K is also strongly influenced by the physical and chemical properties of the water. In this study, column tests were conducted to investigate the impact of salinity on tracer partitioning coefficients for two promising gas phase candidate tracers, dibromomethane and dimethylether. Sodium thiosulfate was used as a salinity surrogate. The dynamic K values of the two partitioning tracers were measured for sodium thiosulfate concentrations between 0% and 36% by weight. Methane was used as the non-partitioning tracer for all experiments. K values were found to decrease significantly with increasing sodium thiosulfate concentration. Similar correlations between K values and sodium thiosulfate concentration were found for both of the partitioning tracers tested.

  14. Polyethylene-water partitioning coefficients for parent- and alkylated-polycyclic aromatic hydrocarbons and polychlorinated biphenyls.

    PubMed

    Choi, Yongju; Cho, Yeo-Myoung; Luthy, Richard G

    2013-07-02

    We report polyethylene (PE)-water partitioning coefficients (K(PE)) for 17 parent-polycyclic aromatic hydrocarbons (PAHs), 22 alkylated-PAHs, 3 perdeuterated parent-PAHs, and 100 polychlorinated biphenyl (PCB) congeners or coeluting congener groups. The K(PE) values for compounds in the same homologue group are within 0.2 log units for alkylated-PAHs but span up to an order of magnitude for PCBs, due to the greater contribution of the position of the substituents (i.e., chlorines for PCBs and alkyl groups for alkylated-PAHs) to the molecular structure. The K(PE) values in deionized water for parent- and alkylated-PAHs show a good correlation with a regression model employing the number of aromatic carbons (C(AR)) and aliphatic carbons (C(AL)) in each compound: log K(PE) = -0.241 + 0.313 C(AR) + 0.461 C(AL). The regression model is useful for the assessment of freely dissolved aqueous concentrations of alkylated-PAHs, which comprise a significant fraction of the total in petroleum-derived PAHs and in some pyrogenic PAH mixtures. For PCBs, experimentally determined octanol-water partitioning coefficients are the best predictor of the K(PE) values among the molecular parameters studied. The effect of salinity up to 20 or 30 parts per thousand is found to be relatively insignificant on K(PE) values for PAHs or PCBs, respectively.

  15. The Near Infrared Absorption Spectrum of Water by CRDS Between 1.26-1.70 µm:Complete Empirical Line List and Continuum Absorption

    NASA Astrophysics Data System (ADS)

    Mondelain, Didier; Campargue, Alain; Kassi, Samir; Mikhailenko, Semen

    2014-06-01

    -CRDS at different temperatures (from room temperature to 340 K). Due to the weakness of the broadband absorption signal to be measured, very few measurements of the water vapor continuum are available in the NIR windows especially for temperature conditions relevant for our atmosphere. This is in particular the case for the 1.6 µm window where the very few available measurements show a large disagreement. The absorption cross-sections, Cs(ν, T), were retrieved for different selected wave numbers from a fit of the absorption coefficients measured in real time during pressure ramps, after subtraction of the contributions of the local water monomer lines and of water adsorbed on the CRDS mirrors. The values measured between 5875 and 6665 cm-1 range between 1.5·10-25 and 2·10-24 cm2 molec-1 atm-1 with a minimum around 6300 cm-1. Overall, our measurements are found in strong disagreement with recent FTS measurements and in a good agreement with the values predicted by the MT CKD2.5 model, except for the temperature dependence in the center of the window which is found significantly smaller than predicted.

  16. A parameterization for the absorption of solar radiation by water vapor in the earth's atmosphere

    NASA Technical Reports Server (NTRS)

    Wang, W.-C.

    1976-01-01

    A parameterization for the absorption of solar radiation as a function of the amount of water vapor in the earth's atmosphere is obtained. Absorption computations are based on the Goody band model and the near-infrared absorption band data of Ludwig et al. A two-parameter Curtis-Godson approximation is used to treat the inhomogeneous atmosphere. Heating rates based on a frequently used one-parameter pressure-scaling approximation are also discussed and compared with the present parameterization.

  17. Improving Spectral Crop Coefficient Approach with Raw Image Digital Count Data to Estimate Crop Water Use

    NASA Astrophysics Data System (ADS)

    Shafian, S.; Maas, S. J.; Rajan, N.

    2014-12-01

    Water resources and agricultural applications require knowledge of crop water use (CWU) over a range of spatial and temporal scales. Due to the spatial density of meteorological stations, the resolution of CWU estimates based on these data is fairly coarse and not particularly suitable or reliable for water resources planning, irrigation scheduling and decision making. Various methods have been developed for quantifying CWU of agricultural crops. In this study, an improved version of the spectral crop coefficient which includes the effects of stomatal closure is applied. Raw digital count (DC) data in the red, near-infrared, and thermal infrared (TIR) spectral bands of Landsat-7 and Landsat-8 imaging sensors are used to construct the TIR-ground cover (GC) pixel data distribution and estimate the effects of stomatal closure. CWU is then estimated by combining results of the spectral crop coefficient approach and the stomatal closer effect. To test this approach, evapotranspiration was measured in 5 agricultural fields in the semi-arid Texas High Plains during the 2013 and 2014 growing seasons and compared to corresponding estimated values of CWU determined using this approach. The results showed that the estimated CWU from this approach was strongly correlated (R2 = 0.79) with observed evapotranspiration. In addition, the results showed that considering the stomatal closer effect in the proposed approach can improve the accuracy of the spectral crop coefficient method. These results suggest that the proposed approach is suitable for operational estimation of evapotranspiration and irrigation scheduling where irrigation is used to replace the daily CWU of a crop.

  18. [QSPR study on the lipid-water partition coefficients of dioxins based on DFT].

    PubMed

    Gu, Cheng-Gang; Jiang, Xin; Bian, Yong-Rong; Yu, Gui-Fen

    2008-05-01

    With computational method of density functional theory (DFT), quantified model study of equilibrium partitioning properties of polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) between lipid phase of organism (Poecilia reticulata) and water phase was carried out based on quantum chemical and further calculated parameters, namely frontier orbital energies, entropies, traceless quadrupole moments as well as molecular absolute hardness, electronegativities and electrophilicity indices, which all were derived from full geometry optimization of PCDD/Fs. Through multiple linear regression (MLR) analyses, quantitative structure-property relationship (QSPR) was successfully proposed in the form of multi-parameter quadratic function: lgK(hw) = 5.343 - 0.001(S - 125.480)(2) - 0.355(omega - 3.239)(2) + 0.006( Q = - 2.950)(2) - 22.728(eta - 2.365)(2). It was shown that the obtained QSPR had higher goodness of fitting and robustness, determination coefficient and cross-validated correlation coefficient being 0.943 and 0.908 respectively, and it was also provided with ideal interior and exterior predictive abilities so that it could be used for prediction of unknown lipid-water partitioning properties. By comparison, QSPR in this research was superior to that from previous SOFA (solubility parameter for fate analysis) method on the whole. Lipid-water partitioning properties (coefficients) of PCDD/Fs should be mainly related to molecular volume and aryl hydrocarbon molecular interactions determined by charge distribution. To a certain degree, they also might be influenced by potential biotransformation and molecular reactivity.

  19. Strong enhancement in light absorption by black carbon due to aerosol water uptake

    NASA Astrophysics Data System (ADS)

    Fierce, Laura; Mena, Francisco; Riemer, Nicole; Bond, Tami C.; Bauer, Susanne E.

    2015-04-01

    Black carbon exerts a strong, yet highly uncertain, warming effect on the climate. One source of uncertainty in predicting black carbon's radiative effects is the absorption per black carbon mass. Although models suggest that light absorption is strongly enhanced if black carbon is coated with non-absorbing aerosol material, recent ambient observations find only weak absorption enhancement from aerosol coatings. In this study, we use a particle-resolved aerosol model to evaluate how oversimplified representations of particle composition impact modeled light absorption by black carbon. We show that oversimplifying the representation of particle composition leads to overestimation of modeled absorption enhancement. In order to improve global model representations of BC absorption, we performed a nonparametric regression on particle-reolved model data from a series of simulations. Through this nonparametric analysis we derived a relationship for absorption enhancement as a function of variables that global models already track, the population-averaged composition and the environmental relative humidity. Finally, we show how this nonparametric relationship can be exploited for use in global models to improve predictions of absorption by black carbon. In order to quantify the global-scale impact of water uptake on light absorption by black carbon, we applied the relationship for absorption enhancement to output of the climate model GISS-MATRIX. We find weak absorption enhancement in locations with low relative humidity, but light absorption is strongly enhanced in humid regions. This enhancement in light absorption by particles taking up water strongly impacts black carbon's radiative effects at the global scale, enhancing light absorption by black carbon by 20% relative to dry conditions.

  20. Aqueous solubilities and octanol-water partition coefficients of cymenes and chlorocymenes

    SciTech Connect

    Lun, R.; Varhanickova, D.; Shiu, W.Y.; Mackay, D.

    1997-09-01

    Aqueous discharges to the environment from pulp mill bleach plants of dissolved wood degradation products and products of reactions between bleaching chemicals and the pulp are a continuing source of pollution. The aqueous solubilities and octanol-water partition coefficients of o-cymene, m-cymene, p-cymene, 2,3-dichloro-p-cymene 2,5-dichloro-p-cymene, 2,3,6-trichloro-p-cymene and tetrachloro-p-cymene, were determined at 25 C using GC and HPLC methods. These properties correlate well with additive LeBas molar volumes.

  1. Experimental determination of solvent-water partition coefficients and Abraham parameters for munition constituents.

    PubMed

    Liang, Yuzhen; Kuo, Dave T F; Allen, Herbert E; Di Toro, Dominic M

    2016-10-01

    There is concern about the environmental fate and effects of munition constituents (MCs). Polyparameter linear free energy relationships (pp-LFERs) that employ Abraham solute parameters can aid in evaluating the risk of MCs to the environment. However, poor predictions using pp-LFERs and ABSOLV estimated Abraham solute parameters are found for some key physico-chemical properties. In this work, the Abraham solute parameters are determined using experimental partition coefficients in various solvent-water systems. The compounds investigated include hexahydro-1,3,5-trinitro-1,3,5-triazacyclohexane (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX), hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX), hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX), hexahydro-1,3-dinitroso-5- nitro-1,3,5-triazine (DNX), 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitrobenzene (TNB), and 4-nitroanisole. The solvents in the solvent-water systems are hexane, dichloromethane, trichloromethane, octanol, and toluene. The only available reported solvent-water partition coefficients are for octanol-water for some of the investigated compounds and they are in good agreement with the experimental measurements from this study. Solvent-water partition coefficients fitted using experimentally derived solute parameters from this study have significantly smaller root mean square errors (RMSE = 0.38) than predictions using ABSOLV estimated solute parameters (RMSE = 3.56) for the investigated compounds. Additionally, the predictions for various physico-chemical properties using the experimentally derived solute parameters agree with available literature reported values with prediction errors within 0.79 log units except for water solubility of RDX and HMX with errors of 1.48 and 2.16 log units respectively. However, predictions using ABSOLV estimated solute parameters have larger prediction errors of up to 7.68 log units. This large discrepancy is probably due to the missing R2NNO2

  2. Water absorption and desorption in shuttle ablator and insulation materials

    NASA Technical Reports Server (NTRS)

    Whitaker, A. F.; Smith, C. F.; Wooden, V. A.; Cothren, B. E.; Gregory, H.

    1982-01-01

    Shuttle systems ablator and insulation materials underwent water soak with subsequent water desorption in vacuum. Water accumulation in these materials after a soak for 24 hours ranged from +1.1% for orbiter tile to +161% for solid rocket booster MSA-1. After 1 minute in vacuum, water retention ranged from none in the orbiter tile to +70% for solid rocket booster cork.

  3. Temperature dependences of mechanisms responsible for the water-vapor continuum absorption. II. Dimers and collision-induced absorption.

    PubMed

    Leforestier, C; Tipping, R H; Ma, Q

    2010-04-28

    We investigated the magnitude and temperature dependence (T dependence) of the dimer absorption in the region of 0-600 cm(-1) and the collision-induced absorption (CIA) in the region of 0-1150 cm(-1). Together with our previous study of the self water-vapor continuum contributions resulting from far-wing line shapes of the allowed H(2)O lines in the infrared window between 800 and 1150 cm(-1), we find that the three mechanisms have completely different T dependence behaviors. The dimer absorption has the strongest negative T dependence and the continuum absorption from far wings of the allowed lines has a moderately strong negative one. Meanwhile, the CIA exhibits a mild T dependence. In addition, their T dependence patterns are quite different. The T dependence of the far-wing theory varies significantly as the frequency of interest omega varies. For CIA, in general, its T dependence is mildly negative, but becomes slightly positive in the window region between the H(2)O bands. In contrast, the T dependence of the dimer absorption varies slightly as omega varies. In the microwave and submillimeter region, its T dependence becomes uniform. Concerning the relative importance for each of these three mechanisms, we find that in the infrared widow, the far-wing contributions are the dominant source of the self-continuum. Within the band, its contributions are definitely responsible for the measured continuum data. But, it is impossible to draw quantitatively conclusions on its relative importance unless one is able to improve the accuracy of the local line calculations significantly. On the other hand, within the pure rotational band, the dimer absorptions are a minor contributor to the self-continuum measurements, and its role becomes more important in the microwave and submillimeter regions. Finally, based on our study we conclude that contributions to the self-continuum from CIA in the frequency region of 0-1150 cm(-1) are negligible.

  4. Dataset used to improve liquid water absorption models in the microwave

    DOE Data Explorer

    Turner, David

    2015-12-14

    Two datasets, one a compilation of laboratory data and one a compilation from three field sites, are provided here. These datasets provide measurements of the real and imaginary refractive indices and absorption as a function of cloud temperature. These datasets were used in the development of the new liquid water absorption model that was published in Turner et al. 2015.

  5. Atmospheric Water Vapour Differential Absorption Measurements with an Infrared Sounder.

    DTIC Science & Technology

    1982-03-01

    such as amonia . As the differential absorption was only of the order of 2 dB for the above measurements (at 450 m range), the measurements were repeated...frequent(ref.7), and most seriously affect surface based radio frequency sensors and communications systems. Further development and refinement of the

  6. Donor impurity-related linear and nonlinear intraband optical absorption coefficients in quantum ring: effects of applied electric field and hydrostatic pressure

    PubMed Central

    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

  7. Influence of image charge effect on impurity-related optical absorption coefficients and refractive index changes in a spherical quantum dot

    NASA Astrophysics Data System (ADS)

    Vartanian, A. L.; Asatryan, A. L.; Vardanyan, L. A.

    2017-03-01

    We have investigated the influence of an image charge effect (ICE) on the energies of the ground and first few excited states of a hydrogen-like impurity in a spherical quantum dot (QD) in the presence of an external electric field. The oscillator strengths of transitions from the 1 s -like state to excited states of 2px and 2pz symmetries are calculated as the functions of the strengths of the confinement potential and the electric field. Also, we have studied the effect of image charges on linear and third-order nonlinear optical absorption coefficients and refractive index changes (RICs). The results show that image charges lead to the decrease of energies for all the hydrogen-like states, to the significant enhancement of the oscillator strengths of transitions between the impurity states, and to comparatively large blue shifts in linear, nonlinear, and total absorption coefficients and refractive index changes. Our results indicate that the total optical characteristics can be controlled by the strength of the confinement and the electric field.

  8. Measurement of the x-ray mass energy-absorption coefficient of air using 3 keV to 10 keV synchrotron radiation.

    PubMed

    Büermann, L; Grosswendt, B; Kramer, H-M; Selbach, H-J; Gerlach, M; Hoffmann, M; Krumrey, M

    2006-10-21

    For the first time absolute photon mass energy-absorption coefficients of air in the energy range 3 keV to 10 keV have been measured with relative standard uncertainties less than 1%, significantly smaller than those of up to 5% assumed hitherto for calculated data. Monochromatized synchrotron radiation was used to measure both the total radiant energy by means of silicon photodiodes calibrated against a cryogenic radiometer and the fraction of radiant energy that is deposited in dry air by means of a free air ionization chamber. The measured ionization charge was converted into energy absorbed in air by calculated effective W values of photons as a function of their energy based on new measurements of the W values in dry air for electron kinetic energies between 1 keV and 7 keV, also presented in this work. The measured absorption coefficients were compared with state-of-the art calculations and found to agree within 0.7% with data calculated earlier by Hubbell at energies above 4 keV but were found to differ by values up to 2.1% at 10 keV from more recent calculations of Seltzer.

  9. Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge.

    PubMed

    Bannan, Caitlin C; Burley, Kalistyn H; Chiu, Michael; Shirts, Michael R; Gilson, Michael K; Mobley, David L

    2016-11-01

    In the recent SAMPL5 challenge, participants submitted predictions for cyclohexane/water distribution coefficients for a set of 53 small molecules. Distribution coefficients (log D) replace the hydration free energies that were a central part of the past five SAMPL challenges. A wide variety of computational methods were represented by the 76 submissions from 18 participating groups. Here, we analyze submissions by a variety of error metrics and provide details for a number of reference calculations we performed. As in the SAMPL4 challenge, we assessed the ability of participants to evaluate not just their statistical uncertainty, but their model uncertainty-how well they can predict the magnitude of their model or force field error for specific predictions. Unfortunately, this remains an area where prediction and analysis need improvement. In SAMPL4 the top performing submissions achieved a root-mean-squared error (RMSE) around 1.5 kcal/mol. If we anticipate accuracy in log D predictions to be similar to the hydration free energy predictions in SAMPL4, the expected error here would be around 1.54 log units. Only a few submissions had an RMSE below 2.5 log units in their predicted log D values. However, distribution coefficients introduced complexities not present in past SAMPL challenges, including tautomer enumeration, that are likely to be important in predicting biomolecular properties of interest to drug discovery, therefore some decrease in accuracy would be expected. Overall, the SAMPL5 distribution coefficient challenge provided great insight into the importance of modeling a variety of physical effects. We believe these types of measurements will be a promising source of data for future blind challenges, especially in view of the relatively straightforward nature of the experiments and the level of insight provided.

  10. Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge

    NASA Astrophysics Data System (ADS)

    Bannan, Caitlin C.; Burley, Kalistyn H.; Chiu, Michael; Shirts, Michael R.; Gilson, Michael K.; Mobley, David L.

    2016-11-01

    In the recent SAMPL5 challenge, participants submitted predictions for cyclohexane/water distribution coefficients for a set of 53 small molecules. Distribution coefficients (log D) replace the hydration free energies that were a central part of the past five SAMPL challenges. A wide variety of computational methods were represented by the 76 submissions from 18 participating groups. Here, we analyze submissions by a variety of error metrics and provide details for a number of reference calculations we performed. As in the SAMPL4 challenge, we assessed the ability of participants to evaluate not just their statistical uncertainty, but their model uncertainty—how well they can predict the magnitude of their model or force field error for specific predictions. Unfortunately, this remains an area where prediction and analysis need improvement. In SAMPL4 the top performing submissions achieved a root-mean-squared error (RMSE) around 1.5 kcal/mol. If we anticipate accuracy in log D predictions to be similar to the hydration free energy predictions in SAMPL4, the expected error here would be around 1.54 log units. Only a few submissions had an RMSE below 2.5 log units in their predicted log D values. However, distribution coefficients introduced complexities not present in past SAMPL challenges, including tautomer enumeration, that are likely to be important in predicting biomolecular properties of interest to drug discovery, therefore some decrease in accuracy would be expected. Overall, the SAMPL5 distribution coefficient challenge provided great insight into the importance of modeling a variety of physical effects. We believe these types of measurements will be a promising source of data for future blind challenges, especially in view of the relatively straightforward nature of the experiments and the level of insight provided.

  11. Water absorption characteristics and structural properties of rice for sake brewing.

    PubMed

    Mizuma, Tomochika; Kiyokawa, Yoshifumi; Wakai, Yoshinori

    2008-09-01

    This study investigated the water absorption curve characteristics and structural properties of rice used for sake brewing. The parameter values in the water absorption rate equation were calculated using experimental data. Differences between sample parameters for rice used for sake brewing and typical rice were confirmed. The water absorption curve for rice suitable for sake brewing showed a quantitatively sharper turn in the S-shaped water absorption curve than that of typical rice. Structural characteristics, including specific volume, grain density, and powdered density of polished rice, were measured by a liquid substitution method using a Gay-Lussac pycnometer. In addition, we calculated internal porosity from whole grain and powdered grain densities. These results showed that a decrease in internal porosity resulted from invasion of water into the rice grain, and that a decrease in the grain density affected expansion during the water absorption process. A characteristic S-shape water absorption curve for rice suitable for sake brewing was related to the existence of an invisible Shinpaku-like structure.

  12. Salinity impacts on water solubility and N-octanol/water partition coefficients of selected pesticides and oil constituents.

    PubMed

    Saranjampour, Parichehr; Vebrosky, Emily N; Armbrust, Kevin L

    2017-03-06

    Salinity has been reported to influence the water solubility of organic chemicals entering marine ecosystems. However, there is limited data available on salinity impacts for chemicals potentially entering seawater. Impacts on water solubility would correspondingly impact chemical sorption as well as overall bioavailability and exposure estimates used in the regulatory assessment. Pesticides atrazine, fipronil, bifenthrin, cypermethrin, as well as crude oil constituents dibenzothiophene as well as 3 of its alkyl derivatives all have different polarities and were selected as model compounds to demonstrate the impact of salinity on their solubility and partitioning behavior. The n-octanol/water partition coefficient (KOW ) was measured in both distilled-deionized water as well as artificial seawater (3.2%). All compounds had diminished solubility and increased KOW values in artificial seawater as compared to distilled-deionized water. A linear correlation curve estimated salinity may increase the log KOW value 2.6% per one log unit increase in distilled water (R(2)  = 0.97). Salinity appears to generally decrease the water solubility and increase partitioning potential. Environmental fate estimates based upon these parameters indicate elevated chemical sorption to sediment, overall bioavailability, and toxicity in artificial seawater. These dramatic differences suggest that salinity should be taken into account when conducting exposure estimates for marine organisms. This article is protected by copyright. All rights reserved.

  13. A practical method of determining water current velocities and diffusion coefficients in coastal waters by remote sensing techniques

    NASA Technical Reports Server (NTRS)

    James, W. P.

    1971-01-01

    A simplified procedure is presented for determining water current velocities and diffusion coefficients. Dye drops which form dye patches in the receiving water are made from an aircraft. The changes in position and size of the patches are recorded from two flights over the area. The simplified data processing procedure requires only that the ground coordinates about the dye patches be determined at the time of each flight. With an automatic recording coordinatograph for measuring coordinates and a computer for processing the data, this technique provides a practical method of determining circulation patterns and mixing characteristics of large aquatic systems. This information is useful in assessing the environmental impact of waste water discharges and for industrial plant siting.

  14. EPA Method 245.1: Determination of Mercury in Water by Cold Vapor Atomic Absorption Spectrometry

    EPA Pesticide Factsheets

    SAM lists this method for preparation and analysis of aqueous liquid and drinking water samples. This method will determine mercuric chloride and methoxyethylmercuric acetate as total mercury using cold vapor atomic absorption spectrometry.

  15. Optoacoustic measurements of water vapor absorption at selected CO laser wavelengths in the 5-micron region

    NASA Technical Reports Server (NTRS)

    Menzies, R. T.; Shumate, M. S.

    1976-01-01

    Measurements of water vapor absorption were taken with a resonant optoacoustical detector (cylindrical pyrex detector, two BaF2 windows fitted into end plates at slight tilt to suppress Fabry-Perot resonances), for lack of confidence in existing spectral tabular data for the 5-7 micron region, as line shapes in the wing regions of water vapor lines are difficult to characterize. The measurements are required for air pollution studies using a CO laser, to find the differential absorption at the wavelengths in question due to atmospheric constituents other than water vapor. The design and performance of the optoacoustical detector are presented. Effects of absorption by ambient NO are considered, and the fixed-frequency discretely tunable CO laser is found suitable for monitoring urban NO concentrations in a fairly dry climate, using the water vapor absorption data obtained in the study.

  16. Computational prediction of octanol-water partition coefficient based on the extended solvent-contact model.

    PubMed

    Kim, Taeho; Park, Hwangseo

    2015-07-01

    The logarithm of 1-octanol/water partition coefficient (LogP) is one of the most important molecular design parameters in drug discovery. Assuming that LogP can be calculated from the difference between the solvation free energy of a molecule in water and that in 1-octanol, we propose a method for predicting the molecular LogP values based on the extended solvent-contact model. To obtain the molecular solvation free energy data for the two solvents, a proper potential energy function was defined for each solvent with respect to atomic distributions and three kinds of atomic parameters. Total 205 atomic parameters were optimized with the standard genetic algorithm using the training set consisting of 139 organic molecules with varying shapes and functional groups. The LogP values estimated with the two optimized solvation free energy functions compared reasonably well with the experimental results with the associated squared correlation coefficient and root mean square error of 0.824 and 0.697, respectively. Besides the prediction accuracy, the present method has the merit in practical applications because molecular LogP values can be computed straightforwardly from the simple potential energy functions without the need to calculate various molecular descriptors. The methods for enhancing the accuracy of the present prediction model are also discussed.

  17. An apparatus to estimate the hydrodynamic coefficients of autonomous underwater vehicles using water tunnel testing

    NASA Astrophysics Data System (ADS)

    Nouri, N. M.; Mostafapour, K.; Bahadori, R.

    2016-06-01

    Hydrodynamic coefficients or hydrodynamic derivatives of autonomous underwater vehicles (AUVs) play an important role in their development and maneuverability. The most popular way of estimating their coefficients is to implement captive model tests such as straight line tests and planar motion mechanism (PMM) tests in the towing tanks. This paper aims to develop an apparatus based on planar experiments of water tunnel in order to estimate hydrodynamic derivatives due to AUVs' acceleration and velocity. The capability of implementing straight line tests and PMM ones using mechanical oscillators located in the downstream flow of the model is considered in the design procedure of the system. The hydrodynamic derivatives that resulted from the acceleration and velocity of the AUV model were estimated using the apparatus that we developed. Static and dynamics test results were compared for the similar derivatives. The findings showed that the system provided the basis for conducting static tests, i.e., straight-line and dynamic tests that included pure pitch and pure heave. By conducting such tests in a water tunnel, we were able to eliminate errors related to the time limitation of the tests and the effects of surface waves in the towing tank on AUVs with applications in the deep sea.

  18. Derivation of water vapour absorption cross-sections in the red region

    NASA Technical Reports Server (NTRS)

    Lal, M.; Chakrabarty, D. K.

    1994-01-01

    Absorption spectrum in 436 to 448 nm wavelength region gives NO2 and O3 column densities. This spectrum can also give H2O column density. The spectrum in the range of 655 to 667 nm contains absorption due to NO3 and H2O. Combining the absorption spectra in the wavelength ranges of 436 to 448 and 655 to 667 nm, water vapor absorption cross-sections in this range comes out to be of the order of 2.0 x 10(exp -24) cm(exp -2).

  19. Optimizing Thermal-Optical Analysis for Atmospheric Black Carbon (BC): Determining the Beer-Lambert Mass Without a Fixed Mass Absorption Coefficient for BC

    NASA Astrophysics Data System (ADS)

    Conny, J. M.; Norris, G.

    2007-12-01

    In thermal-optical transmission analysis (TOT), laser light passing through a particle-laden filter is monitored while carbonaceous material is removed in several heating steps and measured by flame ionization detection. In a helium atmosphere, the laser signal is attenuated by the pyrolysis of organic carbon (OC). Later, while carbon is removed in an oxidizing atmosphere, the laser signal returns to its value prior to pyrolysis (split point), whereupon the amount of carbon equivalent to the native BC is measured. Since pyrolyzed OC may actually evolve beyond the split point, the specific absorption cross sections of pyrolyzed OC and native BC must be equivalent. Moreover, OC pyrolysis must be sufficient so that unpyrolyzed OC is not measured as BC beyond the split point. Using response surfaces models of the apparent specific absorption cross sections for pyrolyzed OC and what the instrument measures as native BC, we determined the thermal conditions for establishing the equivalence of the apparent cross sections while insuring sufficient pyrolysis of OC. In this way, we have optimized TOT for BC mass based on the Beer-Lambert Law but without the need for an absolute mass absorption coefficient (or an absolute attenuation coefficient) for BC. Optimal thermal conditions for the equivalence of the cross sections were indicated by the intersection of the response surfaces. Concurrently, optimal conditions for sufficient pyrolysis of OC were indicated by a plateau in the response surface for the BC cross section. Modeling was based on extensive analyses of PM2.5 samples collected from Atlanta, Los Angeles, and Seattle. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy.

  20. Improved Algorithms for Accurate Retrieval of UV - Visible Diffuse Attenuation Coefficients in Optically Complex, Inshore Waters

    NASA Technical Reports Server (NTRS)

    Cao, Fang; Fichot, Cedric G.; Hooker, Stanford B.; Miller, William L.

    2014-01-01

    Photochemical processes driven by high-energy ultraviolet radiation (UVR) in inshore, estuarine, and coastal waters play an important role in global bio geochemical cycles and biological systems. A key to modeling photochemical processes in these optically complex waters is an accurate description of the vertical distribution of UVR in the water column which can be obtained using the diffuse attenuation coefficients of down welling irradiance (Kd()). The Sea UV Sea UVc algorithms (Fichot et al., 2008) can accurately retrieve Kd ( 320, 340, 380,412, 443 and 490 nm) in oceanic and coastal waters using multispectral remote sensing reflectances (Rrs(), Sea WiFS bands). However, SeaUVSeaUVc algorithms are currently not optimized for use in optically complex, inshore waters, where they tend to severely underestimate Kd(). Here, a new training data set of optical properties collected in optically complex, inshore waters was used to re-parameterize the published SeaUVSeaUVc algorithms, resulting in improved Kd() retrievals for turbid, estuarine waters. Although the updated SeaUVSeaUVc algorithms perform best in optically complex waters, the published SeaUVSeaUVc models still perform well in most coastal and oceanic waters. Therefore, we propose a composite set of SeaUVSeaUVc algorithms, optimized for Kd() retrieval in almost all marine systems, ranging from oceanic to inshore waters. The composite algorithm set can retrieve Kd from ocean color with good accuracy across this wide range of water types (e.g., within 13 mean relative error for Kd(340)). A validation step using three independent, in situ data sets indicates that the composite SeaUVSeaUVc can generate accurate Kd values from 320 490 nm using satellite imagery on a global scale. Taking advantage of the inherent benefits of our statistical methods, we pooled the validation data with the training set, obtaining an optimized composite model for estimating Kd() in UV wavelengths for almost all marine waters. This

  1. Temperature dependence of stream aeration coefficients and the effect of water turbulence: a critical review.

    PubMed

    Demars, B O L; Manson, J R

    2013-01-01

    The gas transfer velocity (K(L)) and related gas transfer coefficient (k(2) = K(L)A/V, with A, area and V, volume) at the air-water interface are critical parameters in all gas flux studies such as green house gas emission, whole stream metabolism or industrial processes. So far, there is no theoretical model able to provide accurate estimation of gas transfer in streams. Hence, reaeration is often estimated with empirical equations. The gas transfer velocity need then to be corrected with a temperature coefficient θ = 1.0241. Yet several studies have long reported variation in θ with temperature and 'turbulence' of water (i.e. θ is not a constant). Here we re-investigate thoroughly a key theoretical model (Dobbins model) in detail after discovering important discrepancies. We then compare it with other theoretical models derived from a wide range of hydraulic behaviours (rigid to free continuous surface water, wave and waterfalls with bubbles). The results of the Dobbins model were found to hold, at least theoretically in the light of recent advances in hydraulics, although the more comprehensive results in this study highlighted a higher degree of complexity in θ's behaviour. According to the Dobbins model, the temperature coefficient θ, could vary from 1.005 to 1.042 within a temperature range of 0-35 °C and wide range of gas transfer velocities, i.e. 'turbulence' condition (0.005 < K(L) < 1.28 cm min(-1)). No other theoretical models showed any significant variability in θ with change in 'turbulence', and only modest variability in θ with change in temperature. However, the other theoretical models did not have the same temperature coefficient θ (with 1.000 < θ < 1.056 within 0-35 °C). A model integrating turbulence and bubble mediated gas transfer velocities suggested a lower temperature dependence for bubble (1.013<θ < 1.017) than turbulence (1.023<θ < 1.031) mediated processes. As it stands, the effect of turbulence on the temperature dependence

  2. Static Characteristics of Absorption Chiller-Heater Supplying Cold and Hot Water Simultaneously

    NASA Astrophysics Data System (ADS)

    Inoue, Naoyuki; Irie, Tomoyoshi

    Absorption chiller-heaters which can supply both chilled water and hot water at the same time, are used for cooling and heating air conditioning systems. In this paper, we classified absorption cold and hot water generating cycles and control methods, studied these absorption cycles by cycle simulation. In economizer cycle, condensed refrigerant which heats hot water is transported to cooling cycle and used effectively for cooling chilled water, Concerning with transported condensed refrigerant, there are two methods, all condensed refrigerant or required refrigerant for cooling are transported to cooling cycle, and required refrigerant method is better for energy saving. Adding improvement of solution control to this economizer cycle, simultaneous cold and hot water supplying chiller-heaters have good characteristics of energy saving in the all region.

  3. Absorption of Sunlight by Water Vapor in Cloudy Conditions: A Partial Explanation for the Cloud Absorption Anomaly

    NASA Technical Reports Server (NTRS)

    Crisp, D.

    1997-01-01

    The atmospheric radiative transfer algorithms used in most global general circulation models underestimate the globally-averaged solar energy absorbed by cloudy atmospheres by up to 25 W/sq m. The origin of this anomalous absorption is not yet known, but it has been attributed to a variety of sources including oversimplified or missing physical processes in these models, uncertainties in the input data, and even measurement errors. Here, a sophisticated atmospheric radiative transfer model was used to provide a more comprehensive description of the physical processes that contribute to the absorption of solar radiation by the Earth's atmosphere. We found that the amount of sunlight absorbed by a cloudy atmosphere is inversely proportional to the solar zenith angle and the cloud top height, and directly proportional to the cloud optical depth and the water vapor concentration within the clouds. Atmospheres with saturated, optically-thick, low clouds absorbed about 12 W/sq m more than clear atmospheres. This accounts for about 1/2 to 1/3 of the anomalous ab- sorption. Atmospheres with optically thick middle and high clouds usually absorb less than clear atmospheres. Because water vapor is concentrated within and below the cloud tops, this absorber is most effective at small solar zenith angles. An additional absorber that is distributed at or above the cloud tops is needed to produce the amplitude and zenith angle dependence of the observed anomalous absorption.

  4. Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes

    USGS Publications Warehouse

    Chiou, C.T.; Schmedding, D.W.; Manes, M.

    2005-01-01

    A volume-fraction-based solvent-water partition model for dilute solutes, in which the partition coefficient shows a dependence on solute molar volume (V??), is adapted to predict the octanol-water partition coefficient (K ow) from the liquid or supercooled-liquid solute water solubility (Sw), or vice versa. The established correlation is tested for a wide range of industrial compounds and pesticides (e.g., halogenated aliphatic hydrocarbons, alkylbenzenes, halogenated benzenes, ethers, esters, PAHs, PCBs, organochlorines, organophosphates, carbamates, and amidesureas-triazines), which comprise a total of 215 test compounds spanning about 10 orders of magnitude in Sw and 8.5 orders of magnitude in Kow. Except for phenols and alcohols, which require special considerations of the Kow data, the correlation predicts the Kow within 0.1 log units for most compounds, much independent of the compound type or the magnitude in K ow. With reliable Sw and V data for compounds of interest, the correlation provides an effective means for either predicting the unavailable log Kow values or verifying the reliability of the reported log Kow data. ?? 2005 American Chemical Society.

  5. Spallation occurrence from polyamide materials irradiated by thermal plasma with water absorption

    NASA Astrophysics Data System (ADS)

    Nakano, Tomoyuki; Tanaka, Yasunori; Nakagawa, T.; Shinsei, N.; Uesugi, Y.; Ishijima, T.

    2016-09-01

    This paper first describes the effect of water absorption in polyamide material irradiated by thermal plasmas on the occurrence of spallation phenomena. The interaction between polyamide materials and arc plasmas occurs particularly in the low voltage circuit breaker and aerospace fields. Spallation phenomena are those in which polymer particles are ejected from polymer bulk materials irradiated by high heat flux. To confirm the effect of water absorption into the polyamide material on spallation phenomena, polyamide specimens with and without water absorption were irradiated by Ar inductively coupled thermal plasma. The results show that the polyamide specimen with water absorption ejected spallation particles, whereas the polyamide specimen without water absorption were only slightly ejected, indicating that water absorption promotes the occurrence of spallation. The cooling effects of the spallation polyamide 66 (PA66) particles ablation were also estimated in hot air to assess the arc quenching ability from the spallation particle inclusion. This estimation showed that 10 and more PA66 particles inclusion might decrease the air temperature by 3000 K effectively, which can be useful to enhance arc quenching in circuit breakers working in air.

  6. Effect of Water Vapor Absorption on Measurements of Atmospheric Nitrate Radical by LP-DOAS

    NASA Astrophysics Data System (ADS)

    Li, Su-wen; Liu, Wen-qing; Xie, Pin-hua; Yang, Yi-jun; Chen, De-bao; Li, Zheng

    2008-10-01

    During the measurement of atmospheric nitrate radical by long-path differential optical absorption spec-troscopy, water vapor strong absorption could affect the measurement of nitrate radical and detection limits of system. Under the tropospheric condition, the optical density of water vapor absorption is non-linearly dependent on column density. An effective method was developed to eliminate the effect of water vapor absorption. Reference spectra of water vapor based on the daytime atmospheric absorption spectra, when fitted together with change of cross section with water vapor column densities, gave a more accurate fitting of water vapor absorptions, thus its effect on the measurements of nitrate radical could be restricted to a minimum and detection limits of system reached 3.6 ppt. The modified method was applied during an intensive field campaign in the Pearl River Delta, China. The NO3 concentration in polluted air masses varied from 3.6 ppt to 82.5 ppt with an average level of 23.6±1.8 ppt.

  7. Transporters involved in glucose and water absorption in the Dysdercus peruvianus (Hemiptera: Pyrrhocoridae) anterior midgut.

    PubMed

    Bifano, Thaís D; Alegria, Thiago G P; Terra, Walter R

    2010-09-01

    Little is known about insect intestinal sugar absorption, in spite of the recent findings, and even less has been published regarding water absorption. The aim of this study was to shed light on putative transporters of water and glucose in the insect midgut. Glucose and water absorptions by the anterior ventriculus of Dysdercus peruvianus midgut were determined by feeding the insects with a glucose and a non-absorbable dye solution, followed by periodical dissection of insects and analysis of ventricular contents. Glucose absorption decreases glucose/dye ratios and water absorption increases dye concentrations. Water and glucose transports are activated (water 50%, glucose 33%) by 50 mM K(2)SO(4) and are inhibited (water 46%, glucose 82%) by 0.2 mM phloretin, the inhibitor of the facilitative hexose transporter (GLUT) or are inhibited (water 45%, glucose 35%) by 0.1 mM phlorizin, the inhibitor of the Na(+)-glucose cotransporter (SGLT). The results also showed that the putative SGLT transports about two times more water relative to glucose than the putative GLUT. These results mean that D. peruvianus uses a GLUT-like transporter and an SGLT-like transporter (with K(+) instead of Na(+)) to absorb dietary glucose and water. A cDNA library from D. peruvianus midgut was screened and we found one sequence homologous to GLUT1, named DpGLUT, and another to a sodium/solute symporter, named DpSGLT. Semi-quantitative RT-PCR studies revealed that DpGLUT and DpSGLTs mRNA were expressed in the anterior midgut, where glucose and water are absorbed, but not in fat body, salivary gland and Malpighian tubules. This is the first report showing the involvement of putative GLUT and SGLT in both water and glucose midgut absorption in insects.

  8. Simulation and performance analysis of a 4-effect lithium bromide-water absorption chiller

    SciTech Connect

    Grossman, G.; Zaltash, A.; DeVault, R.C.

    1995-02-01

    Performance simulation has been conducted for a 4-effect lithium bromide-water chiller, capable of substantial performance improvement over state-of-the-art double-effect cycles. The system investigated includes four condensers and four desorbers coupled together, forming an extension of the conventional double-effect cycle; based on prior analytical studies, a parallel flow system was preferred over series flow, and double-condenser coupling was employed, to further improve performance. A modular computer code for simulation of absorption systems (ABSIM) was used to investigate the performances of the cycle. The simulation was carried out to investigate the influence of some major design parameters. A coefficient of performance around 2.0 (cooling) was calculated at the design point, with a heat supply temperature of 600{degrees}F (315{degrees}C) at the solution outlet from the high temperature desorber. With some optimization of the weak (pumped) solution flowrate and of the solution split among the four desorbers, this COP may be raised above 2.2.

  9. Water absorption by secondary organic aerosol and its effect on inorganic aerosol behavior

    SciTech Connect

    Ansari, A.S.; Pandis, S.N.

    2000-01-01

    The hygroscopic nature of atmospheric aerosol has generally been associated with its inorganic fraction. In this study, a group contribution method is used to predict the water absorption of secondary organic aerosol (SOA). Compared against growth measurements of mixed inorganic-organic particles, this method appears to provide a first-order approximation in predicting SOA water absorption. The growth of common SOA species is predicted to be significantly less than common atmospheric inorganic salts such as (NH{sub 4}){sub 2}SO{sub 4} and NaCl. Using this group contribution method as a tool in predicting SOA water absorption, an integrated modeling approach is developed combining available SOA and inorganic aerosol models to predict overall aerosol behavior. The effect of SOA on water absorption and nitrate partitioning between the gas and aerosol phases is determined. On average, it appears that SOA accounts for approximately 7% of total aerosol water and increases aerosol nitrate concentrations by approximately 10%. At high relative humidity and low SOA mass fractions, the role of SOA in nitrate partitioning and its contribution to total aerosol water is negligible. However, the water absorption of SOA appears to be less sensitive to changes in relative humidity than that of inorganic species, and thus at low relative humidity and high SOA mass fraction concentrations, SOA is predicted to account for approximately 20% of total aerosol water and a 50% increase in aerosol nitrate concentrations. These findings could improve the results of modeling studies where aerosol nitrate has often been underpredicted.

  10. Determination of the bulk moisture diffusion coefficient for corn starch using an automated water sorption instrument.

    PubMed

    Yu, Xin; Schmidt, Arthur R; Bello-Perez, Luis A; Schmidt, Shelly J

    2008-01-09

    The bulk moisture diffusion coefficient (Db) is an important physical parameter of food ingredients and systems. However, the traditional method of measuring Db using saturated salt solutions is very time-consuming and cumbersome. New automated water sorption instruments, which can be used to conveniently and precisely control both relative humidity and temperature, provide a faster, more robust method for collecting the data needed for determining Db. Thus, the objectives of this study were to (1) investigate the use of the DVS instrument for collecting the data needed for determining the adsorption (Dba) and desorption (Dbd) bulk moisture diffusion coefficients for dent corn starch as a function of relative humidity and (2) determine the effect of temperature on Dba for dent corn starch at a constant relative humidity. Kinetic water sorption profiles of dent corn starch were obtained at eight relative humidity values ranging from 10 to 80% at 10% intervals at 25 degrees C and at five temperatures, 15, 20, 25, 30, and 35 degrees C, at 50% relative humidity using a DVS instrument. Db was calculated from the kinetic water sorption profiles using the full solution of Fick's second law for the thin slab model, as well as the slope method, a simplification of the full model. The Dba of dent corn starch at 25 degrees C reached a maximum at intermediate relative humidity values, after which Dba decreased due to a change in the moisture diffusion mechanism from vapor to liquid diffusion. The Dbd of dent corn starch at 25 degrees C remained nearly constant as a function of relative humidity. The Dba for dent corn starch increased as temperature increased from 15 to 35 degrees C, with an activation energy of 38.85 +/- 0.433 kJ/mol.

  11. Water absorption dependent photoconductivity of a freestanding polymer bridge.

    PubMed

    Kim, Daeyoung; Choi, Jaewu

    2010-06-23

    The photo-response of a freestanding constricted polymeric solid-state bridge of water soluble sodium poly[2-(3-thienyl)-ethoxy-4-butylsulfonate] (SPTEBS) was studied as a function of water vapor pressure. The dark current dramatically increases with water vapor pressure higher than 12 Torr. Surprisingly, under light illumination, the short-circuit current of the polymeric solid-state bridge decreases with increasing water vapor pressure so that, above 12 Torr of water vapor pressure, the short-circuit current under the light illumination is even lower than the dark current. This negative photo-response of the polymeric solid-state bridge is attributed to the self-doping by hydration of the polymer and the de-doping, possibly the result of photo-induced desorption of adsorbed water molecules.

  12. Interrelation between the crystallinity of polysaccharides and water absorption

    NASA Astrophysics Data System (ADS)

    Prusov, A. N.; Prusova, S. M.; Radugin, M. V.; Zakharov, A. G.

    2014-05-01

    The maximum sorption of water and its vapors is calculated using experimental data from calorimetric and effusion studies of flax, wood, and cotton cellulose. X-day diffraction is used to determine the crystallinity of cellulose samples. The equations relating crystallinity ( X) with maximum sorption and the enthalpy of interaction between cellulose and water are presented. Experimental results and the literature data on water sorption by chitin, chitosan and other polysaccharides show that our equations for calculating crystallinity are correct.

  13. Whey protein hydrolysates enhance water absorption in the perfused small intestine of anesthetized rats.

    PubMed

    Ito, Kentaro; Yamaguchi, Makoto; Noma, Teruyuki; Yamaji, Taketo; Itoh, Hiroyuki; Oda, Munehiro

    2016-08-01

    We evaluated the effect of whey protein hydrolysates (WPH) on the water absorption rate in the small intestine using a rat small intestine perfusion model. The rate was significantly higher with 5 g/L WPH than with 5 g/L soy protein hydrolysates or physiological saline (p < 0.05). WPH dose-dependently increased the water absorption rate in the range of 1.25-10.0 g/L. WPH showed a significantly higher rate than an amino acid mixture whose composition was equal to that of WPH (p < 0.05). The addition of 4-aminomethylbenzoic acid, an inhibitor of PepT1, significantly suppressed WPH's enhancement of water absorption (p < 0.05). The rate of water absorption was significantly correlated with that of peptides/amino acids absorption in WPH (r = 0.82, p < 0.01). These data suggest that WPH have a high water absorption-promoting effect, to which PepT1 contributes.

  14. Water absorption, dimensional change and radial pressure in resin matrix dental restorative materials.

    PubMed

    McCabe, John F; Rusby, Sandra

    2004-08-01

    The purpose of this work was to study the relationship between water absorption, dimensional change (swelling) under cavity constraint and radial stress generation in resin matrix dental restorative materials. Water absorption was determined on disc specimens whilst swelling was determined on samples of materials restrained within cavities cut in cast polymethylmethacrylate and pressure generated was determined using a 'push-out' test. Four commercially available resin matrix materials were used. A giomer material gave significantly greater water absorption than two compomers and a fluoride releasing composite (p<0.05). The giomer material was the only material which produced a significant degree of swelling (p<0.05) when restrained within a cavity. The giomer product produced the greatest radial pressure (over 20 MPa in 1 month) following water storage, however a significant pressure generation was also observed for other materials despite their much lower water absorption values. The mechanism of water absorption and the amount of water absorbed determine the dimensional changes and radial pressure generated by resin matrix materials in a moist environment.

  15. Wetting and absorption of water drops on Nafion films.

    PubMed

    Goswami, Sharonmoyee; Klaus, Shannon; Benziger, Jay

    2008-08-19

    Water drops on Nafion films caused the surface to switch from being hydrophobic to being hydrophilic. Contact angle hysteresis of >70 degrees between advancing and receding values were obtained by the Wilhelmy plate technique. Sessile drop measurements were consistent with the advancing contact angle; the sessile drop contact angle was 108 degrees . Water drop adhesion, as measured by the detachment angle on an inclined plane, showed much stronger water adhesion on Nafion than Teflon. Sessile water and methanol drops caused dry Nafion films to deflect. The flexure went through a maximum with time. Flexure increased with contact area of the drop, but was insensitive to the film thickness. Methanol drops spread more on Nafion and caused larger film flexure than water. The results suggest that the Nafion surface was initially hydrophobic but water and methanol drops caused hydrophilic sulfonic acid domains to be drawn to the Nafion surface. Local swelling of the film beneath the water drop caused the film to buckle. The maximum flexure is suggested to result from motion of a water swelling front through the Nafion film.

  16. Periodic Cavitation in a High-Speed Water Inducer at an Off-Design Flow Coefficient

    NASA Astrophysics Data System (ADS)

    Lundgreen, Ryan; Cluff, Ryan; Maynes, Daniel; Gorrell, Steven; Oliphant, Kerry

    2012-11-01

    Time resolved numerical simulations were conducted on a high-speed water inducer designed to operate under cavitating conditions at both on and off-design flow rates. A segregated solver was employed and the turbulence model was the realizable k-epsilon approach. The solution discretization is second order accurate in space and first order accurate in time. Cavitation within the domain becomes periodic as the cavitation number decreases. At flow coefficients smaller than the design flow coefficient, a large time-varying volume of cavitation is observed upstream of the inducer causing the system to become unstable for practical use. Large regions of reversed flow at the blade tip cause the incoming fluid to increase in velocity and the effective mass flow area to decrease. It is this increase in velocity that leads to the formation of the periodic vapor cavity upstream of the inducer. The vapor cavity increases in size until it completely blocks the core of the passage, forcing the flow out toward the shroud. As the flow near the shroud accelerates, the reversed flow at the blade tip decreases and the vapor cavity decreases in size until it collapse completely, causing a large jump in pressure throughout the entire flow domain.

  17. INVERSE ESTIMATION OF BED ROUGHNESS COEFFICIENTS IN OPEN-CHANNELS WITH FLOOD PLAINS BY USING ADJOINT SHALLOW-WATER MODEL

    NASA Astrophysics Data System (ADS)

    Yoshida, Keisuke

    This study describes the methodology on an inverse estimation of the bed roughness coefficients in open-channels with flood plains. The coefficients are identified by an adjoint shallow-water model and an optimal control theory. Several twin experiments were carried out with the synthetic data in order to validate the method. The data assimilated consists of values of the water level and depth-averaged velocity. The results showed that the coefficients can be accurately predicted with the velocity data, while the estimation fails with the water level data. This is because the cross-sectionally distributed bed roughness does not always influence the lateral profile of the water level, but the local velocity field. Namely, the relation between the lateral profile of the water level and the bed roughness turns out to be non-unique in open-channels with flood plains.

  18. Intermolecular potential and second virial coefficient of the water-hydrogen complex

    SciTech Connect

    Hodges, Matthew P.; Wheatley, Richard J.; Schenter, Gregory K.; Harvey, Allen H.

    2004-01-08

    We construct a rigid-body (5-dimensional) potential-energy surface for the water-hydrogen complex using scaled perturbation theory (SPT). An analytic fit of this surface is obtained, and using this, two minima are found: the global minimum has C{sub 2v} symmetry, with the hydrogen molecule acting as a proton donor to the oxygen atom on water; a local minimum with C{sub s} symmetry has the hydrogen molecule acting as a proton acceptor to one of the hydrogen atoms on water, where the OH bond and H{sub 2} are in a T-shaped configuration. The SPT global and local minima are bound by 1097 {micro}E{sub h} (E{sub h} {approx} 4.359 744 x 10{sup -18} J). Our best estimate of the binding energy, from a complete basis set extrapolation of coupled-cluster calculations, is 1076.1 {micro}E{sub h}. The fitted surface is used to calculate the second cross virial coefficient over a wide temperature range (100-3000 K). Three complementary methods are used to quantify quantum statistical mechanical effects that become significant at low temperatures. We compare our results with experimental data, which are available over a smaller temperature range (230-700 K). Generally good agreement is found, but the experimental data are subject to larger uncertainties.

  19. Intermolecular potential and second virial coefficient of the water-hydrogen complex.

    PubMed

    Hodges, Matthew P; Wheatley, Richard J; Schenter, Gregory K; Harvey, Allan H

    2004-01-08

    We construct a rigid-body (five-dimensional) potential-energy surface for the water-hydrogen complex using scaled perturbation theory (SPT). An analytic fit of this surface is obtained, and, using this, two minima are found. The global minimum has C2v symmetry, with the hydrogen molecule acting as a proton donor to the oxygen atom on water. A local minimum with Cs symmetry has the hydrogen molecule acting as a proton acceptor to one of the hydrogen atoms on water, where the OH bond and H2 are in a T-shaped configuration. The SPT global minimum is bound by 1097 microEh (Eh approximately 4.359744 x 10(-18) J). Our best estimate of the binding energy, from a complete basis set extrapolation of coupled-cluster calculations, is 1076.1 microEh. The fitted surface is used to calculate the second cross virial coefficient over a wide temperature range (100-3000 K). Three complementary methods are used to quantify quantum statistical mechanical effects that become significant at low temperatures. We compare our results with experimental data, which are available over a smaller temperature range (230-700 K). Generally good agreement is found, but the experimental data are subject to larger uncertainties.

  20. Methane-water cross second virial coefficient with quantum corrections from an ab initio potential.

    PubMed

    Akin-Ojo, Omololu; Harvey, Allan H; Szalewicz, Krzysztof

    2006-07-07

    We present our calculations of the cross second virial coefficient (B12) and of a related quantity, phi 12 = B12-TdB12/dT, for the methane-water system in the temperature range T = 200-1000 K. These calculations were performed using one of the ab initio potentials developed in previous work [Akin-Ojo and Szalewicz, J. Chem. Phys. 123, 134311 (2005)]. Quantum corrections of order variant Planck's over 2pi(2) were added to the computed classical values. We have estimated the uncertainties in our computed B12 and phi 12(T). This allowed evaluation of the quality of the experimental data to which we compare our results. We also provide an analytical expression for B12(T) as a function of the temperature T obtained by fitting the calculated values. This formula also predicts values of phi12(T) consistent with the directly calculated values.

  1. Filling environmental data gaps with QSPR for ionic liquids: Modeling n-octanol/water coefficient.

    PubMed

    Rybinska, Anna; Sosnowska, Anita; Grzonkowska, Monika; Barycki, Maciej; Puzyn, Tomasz

    2016-02-13

    Ionic liquids (ILs) form a wide group of compounds characterized by specific properties that allow using ILs in different fields of science and industry. Regarding that the growing production and use of ionic liquids increase probability of their emission to the environment, it is important to estimate the ability of these compounds to spread in the environment. One of the most important parameters that allow evaluating environmental mobility of compound is n-octanol/water partition coefficient (KOW). Experimental measuring of the KOW values for a large number of compounds could be time consuming and costly. Instead, computational predictions are nowadays being used more often. The paper presents new Quantitative Structure-Property Relationship (QSPR) model that allows predicting the logarithmic values of KOW for 335 ILs, for which the experimentally measured values had been unavailable. We also estimated bioaccumulation potential and point out which group of ILs could have negative impact on environment.

  2. Absorption Spectra of Water Clusters Calculated Using Density Functional Theory

    DTIC Science & Technology

    2013-07-10

    calculated bond paths, i.e., bond critical point (BCP), ring critical point ( RCP ) and cage critical point (CCP), the AIMQB atomic properties. Shown in...point (BCP), ring critical point ( RCP ) and cage critical point (CCP). Randomly Distributed Water BCP RCP CCP 2 H2O 5 0 0 5 H2O 16 2 0 12 H2O...paths for liquid water comprising a cluster. Bond critical point (BCP), ring critical point ( RCP ) and cage critical point (CCP). Liquid Water

  3. Determination of the quasi-TE mode (in-plane) graphene linear absorption coefficient via integration with silicon-on-insulator racetrack cavity resonators.

    PubMed

    Crowe, Iain F; Clark, Nicholas; Hussein, Siham; Towlson, Brian; Whittaker, Eric; Milosevic, Milan M; Gardes, Frederic Y; Mashanovich, Goran Z; Halsall, Matthew P; Vijayaraghaven, Aravind

    2014-07-28

    We examine the near-IR light-matter interaction for graphene integrated cavity ring resonators based on silicon-on-insulator (SOI) race-track waveguides. Fitting of the cavity resonances from quasi-TE mode transmission spectra reveal the real part of the effective refractive index for graphene, n(eff) = 2.23 ± 0.02 and linear absorption coefficient, α(gTE) = 0.11 ± 0.01dBμm(-1). The evanescent nature of the guided mode coupling to graphene at resonance depends strongly on the height of the graphene above the cavity, which places limits on the cavity length for optical sensing applications.

  4. Small effect of water on upper mantle rheology based on silicon self-diffusion coefficients

    NASA Astrophysics Data System (ADS)

    Fei, H.; Wiedenbeck, M.; Yamazaki, D.; Katsura, T.

    2012-12-01

    Water has been considered to significantly affect the mantle dynamics. In particular, experimental deformation studies [1-4] claimed that even small amount of water enhanced the creep in olivine by orders of magnitude. However, we note that their results are experimental artifact due to a number of limitations: e.g., unavoidable grain boundary sliding when polycrystalline samples were used; limited ranges of water contents due to the limited pressures; several orders higher stress and strain rate than those in nature. High temperature creep of silicate minerals is controlled by silicon self-diffusion. Therefore, measurement of silicon self-diffusion coefficients (DSi) in minerals, which can be performed without these limitations, is an independent way to study the mantle rheology. In this study, we measured DSi in Mg end-member of olivine, namely, forsterite, as a function of water content (CH2O) across a wide range, and concluded that effect of water on upper mantle rheology is very small. Forsterite single crystals were doped with <1 to ~800 μg/g of water at 1600 K, 8 GPa using talc+brucite water sources and graphite buffer. The CH2O in the samples were controlled by the ratio of water sources to graphite. The water doped samples were polished, deposited with 500 nm 29Si enriched Mg2SiO4 thin films, and annealed at 8 GPa, 1600 or 1800 K for diffusion with the same proportion of water sources, which successfully made constant values of CH2O during diffusion annealing. The diffusion profiles were obtained by SIMS. CH2O in the samples were determined by FT-IR before and after diffusion, and also examined by SIMS. Our results yield a relationship: DSi ∝ (CH2O)1/3. This is explained by defect chemistry, where DSi∝[VSi‧‧‧‧]×[VO●●]∝(CH2O)2/3×(CH2O)-1/3=(CH2O)1/3 under the charge neutrality condition of [(OH)O●]=2[VMg‧‧] because both Si and O vacancies are needed for Si ions to diffuse. The water contents exponent (1/3) determined in this study

  5. Extension of the Inverse Adding-Doubling Method to the Measurement of Wavelength-Dependent Absorption and Scattering Coefficients of Biological Samples

    SciTech Connect

    Baba, Justin S; Allegood, Marcus S

    2008-01-01

    Light interaction with biological tissue can be described using three parameters: the scattering and absorption coefficients (us and ua), 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 specific wavelengths, and simultaneously, would be beneficial for a variety of different biomedical applications. The goal of this project was to take a user-defined g-value and determine the remaining two parameters for a specified wavelength range for an integrating sphere with a collimated white light input source system. 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 computation of the optical properties based on the output from the IAD code. To allow data to be passed efficiently 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 and determination of the absorption and scattering coefficients showed excellent agreement with theory for wavelengths were the user inputted single g-value was sufficiently precise. Future improvements entail providing for multi-wavelength g-value entry to extend the accuracy of results to encompass the complete system multispectral range. Ultimately, the data collection process and algorithms developed through this effort will be used to study actual biological tissues for the purpose of deriving and refining models for light-tissue interactions.

  6. In vivo absorption comparison of nanotechnology-based silybin tablets with its water-soluble derivative.

    PubMed

    Xu, Di; Ni, Rui; Sun, Wei; Li, Luk Chiu; Mao, Shirui

    2015-04-01

    In this study, the in vivo oral absorption of a nanocrystal tablet formulation of a BCS II poorly water-soluble drug was compared with that of its water-soluble salt form. Silybin is used as the model drug, and its nanosuspension was prepared by high-pressure homogenization. Effect of process and formulation parameters on properties of the nansuspensions was investigated. Dried powder of the nanosuspension was prepared by spray drying and used for preparing tablets. A pharmacokinetic study was performed in Beagle dogs to compare the absorption for tablets of silybin nanocrystals and silybin meglumine. In vivo absorption of nanocrystal silybin tablet in Beagle dogs was determined. X-ray powder diffraction results indicated that silybin existed in a crystalline state after homogenization. In vivo absorption study in rats showed that the peroral absorption of silybin was enhanced remarkably by decreasing particle size. In vivo absorption of nanocrystal silybin tablet in Beagle dogs was comparable with that of the commercially available tablet of the water-soluble salt form of silybin. In conclusion, it is possible to increase the bioavailability of poorly soluble drugs by preparing its water-soluble derivative.

  7. Methods for analysis of selected metals in water by atomic absorption

    USGS Publications Warehouse

    Fishman, Marvin J.; Downs, Sanford C.

    1966-01-01

    This manual describes atomic-absorption-spectroscopy methods for determining calcium, copper, lithium, magnesium, manganese, potassium, sodium, strontium and zinc in atmospheric precipitation, fresh waters, and brines. The procedures are intended to be used by water quality laboratories of the Water Resources Division of the U.S. Geological Survey. Detailed procedures, calculations, and methods for the preparation of reagents are given for each element along with data on accuracy, precision, and sensitivity. Other topics discussed briefly are the principle of atomic absorption, instrumentation used, and special analytical techniques.

  8. Application of the environmental Gini coefficient in allocating water governance responsibilities: a case study in Taihu Lake Basin, China.

    PubMed

    Zhou, Shenbei; Du, Amin; Bai, Minghao

    2015-01-01

    The equitable allocation of water governance responsibilities is very important yet difficult to achieve, particularly for a basin which involves many stakeholders and policymakers. In this study, the environmental Gini coefficient model was applied to evaluate the inequality of water governance responsibility allocation, and an environmental Gini coefficient optimisation model was built to achieve an optimal adjustment. To illustrate the application of the environmental Gini coefficient, the heavily polluted transboundary Taihu Lake Basin in China, was chosen as a case study. The results show that the original environmental Gini coefficient of the chemical oxygen demand (COD) was greater than 0.2, indicating that the allocation of water governance responsibilities in Taihu Lake Basin was unequal. Of seven decision-making units, three were found to be inequality factors and were adjusted to reduce the water pollutant emissions and to increase the water governance inputs. After the adjustment, the environmental Gini coefficient of the COD was less than 0.2 and the reduction rate was 27.63%. The adjustment process provides clear guidance for policymakers to develop appropriate policies and improve the equality of water governance responsibility allocation.

  9. Dynamics of Water Absorption and Evaporation During Methanol Droplet Combustion in Microgravity

    NASA Technical Reports Server (NTRS)

    Hicks, Michael C.; Dietrich, Daniel L.; Nayagam, Vedha; Williams, Forman A.

    2012-01-01

    The combustion of methanol droplets is profoundly influenced by the absorption and evaporation of water, generated in the gas phase as a part of the combustion products. Initially there is a water-absorption period of combustion during which the latent heat of condensation of water vapor, released into the droplet, enhances its burning rate, whereas later there is a water-evaporation period, during which the water vapor reduces the flame temperature suffciently to extinguish the flame. Recent methanol droplet-combustion experiments in ambient environments diluted with carbon dioxide, conducted in the Combustion Integrated Rack on the International Space Station (ISS), as a part of the FLEX project, provided a method to delineate the water-absorption period from the water-evaporation period using video images of flame intensity. These were obtained using an ultra-violet camera that captures the OH* radical emission at 310 nm wavelength and a color camera that captures visible flame emission. These results are compared with results of ground-based tests in the Zero Gravity Facility at the NASA Glenn Research Center which employed smaller droplets in argon-diluted environments. A simplified theoretical model developed earlier correlates the transition time at which water absorption ends and evaporation starts. The model results are shown to agree reasonably well with experiment.

  10. Diffusion coefficients of organic molecules in sucrose-water solutions and comparison with Stokes-Einstein predictions

    NASA Astrophysics Data System (ADS)

    Chenyakin, Yuri; Ullmann, Dagny A.; Evoy, Erin; Renbaum-Wolff, Lindsay; Kamal, Saeid; Bertram, Allan K.

    2017-02-01

    The diffusion coefficients of organic species in secondary organic aerosol (SOA) particles are needed to predict the growth and reactivity of these particles in the atmosphere. Previously, viscosity measurements, along with the Stokes-Einstein relation, have been used to estimate the diffusion rates of organics within SOA particles or proxies of SOA particles. To test the Stokes-Einstein relation, we have measured the diffusion coefficients of three fluorescent organic dyes (fluorescein, rhodamine 6G and calcein) within sucrose-water solutions with varying water activity. Sucrose-water solutions were used as a proxy for SOA material found in the atmosphere. Diffusion coefficients were measured using fluorescence recovery after photobleaching. For the three dyes studied, the diffusion coefficients vary by 4-5 orders of magnitude as the water activity varied from 0.38 to 0.80, illustrating the sensitivity of the diffusion coefficients to the water content in the matrix. At the lowest water activity studied (0.38), the average diffusion coefficients were 1.9 × 10-13, 1.5 × 10-14 and 7.7 × 10-14 cm2 s-1 for fluorescein, rhodamine 6G and calcein, respectively. The measured diffusion coefficients were compared with predictions made using literature viscosities and the Stokes-Einstein relation. We found that at water activity ≥ 0.6 (which corresponds to a viscosity of ≤ 360 Pa s and Tg/T ≤ 0.81), predicted diffusion rates agreed with measured diffusion rates within the experimental uncertainty (Tg represents the glass transition temperature and T is the temperature of the measurements). When the water activity was 0.38 (which corresponds to a viscosity of 3.3 × 106 Pa s and a Tg/T of 0.94), the Stokes-Einstein relation underpredicted the diffusion coefficients of fluorescein, rhodamine 6G and calcein by a factor of 118 (minimum of 10 and maximum of 977), a factor of 17 (minimum of 3 and maximum of 104) and a factor of 70 (minimum of 8 and maximum of 494

  11. Evaluation of alternative approaches for measuring n-octanol/water partition coefficients for methodologically challenging chemicals (MCCs)

    EPA Science Inventory

    Measurements of n-octanol/water partition coefficients (KOW) for highly hydrophobic chemicals, i.e., greater than 108, are extremely difficult and are rarely made, in part because the vanishingly small concentrations in the water phase require extraordinary analytical sensitivity...

  12. Deriving in situ phytoplankton absorption for bio-optical productivity models in turbid waters

    NASA Astrophysics Data System (ADS)

    Oliver, Matthew J.; Schofield, Oscar; Bergmann, Trisha; Glenn, Scott; Orrico, Cristina; Moline, Mark

    2004-07-01

    As part of Hyperspectral Coupled Ocean Dynamics Experiment, a high-resolution hydrographic and bio-optical data set was collected from two cabled profilers at the Long-Term Ecosystem Observatory (LEO). Upwelling- and downwelling-favorable winds and a buoyant plume from the Hudson River induced large changes in hydrographic and optical structure of the water column. An absorption inversion model estimated the relative abundance of phytoplankton, colored dissolved organic matter (CDOM) and detritus, as well as the spectral exponential slopes of CDOM and detritus from in situ WET Labs nine-wavelength absorption/attenuation meter (ac-9) absorption data. Derived optical weights were proportional to the parameter concentrations and allowed for their absorptions to be calculated. Spectrally weighted phytoplankton absorption was estimated using modeled spectral irradiances and the phytoplankton absorption spectra inverted from an ac-9. Derived mean spectral absorption of phytoplankton was used in a bio-optical model estimating photosynthetic rates. Measured radiocarbon uptake productivity rates extrapolated with water mass analysis and the bio-optical modeled results agreed within 20%. This approach is impacted by variability in the maximum quantum yield (ϕmax) and the irradiance light-saturation parameter (Ek(PAR)). An analysis of available data shows that ϕmax variability is relatively constrained in temperate waters. The variability of Ek(PAR) is greater in temperate waters, but based on a sensitivity analysis, has an overall smaller impact on water-column-integrated productivity rates because of the exponential decay of light. This inversion approach illustrates the utility of bio-optical models in turbid coastal waters given the measurements of the bulk inherent optical properties.

  13. Enhance the optical absorptivity of nanocrystalline TiO2 film with high molar extinction coefficient ruthenium sensitizers for high performance dye-sensitized solar cells.

    PubMed

    Gao, Feifei; Wang, Yuan; Shi, Dong; Zhang, Jing; Wang, Mingkui; Jing, Xiaoyan; Humphry-Baker, Robin; Wang, Peng; Zakeeruddin, Shaik M; Grätzel, Michael

    2008-08-13

    We report two new heteroleptic polypyridyl ruthenium complexes, coded C101 and C102, with high molar extinction coefficients by extending the pi-conjugation of spectator ligands, with a motivation to enhance the optical absorptivity of mesoporous titania film and charge collection yield in a dye-sensitized solar cell. On the basis of this C101 sensitizer, several DSC benchmarks measured under the air mass 1.5 global sunlight have been reached. Along with an acetonitrile-based electrolyte, the C101 sensitizer has already achieved a strikingly high efficiency of 11.0-11.3%, even under a preliminary testing. More importantly, based on a low volatility 3-methoxypropionitrile electrolyte and a solvent-free ionic liquid electrolyte, cells have corresponding >9.0% and approximately 7.4% efficiencies retained over 95% of their initial performances after 1000 h full sunlight soaking at 60 degrees C. With the aid of electrical impedance measurements, we further disclose that, compared to the cell with an acetonitrile-based electrolyte, a dye-sensitized solar cell with an ionic liquid electrolyte shows a feature of much shorter effective electron diffusion lengths due to the lower electron diffusion coefficients and shorter electron lifetimes in the mesoporous titania film, explaining the photocurrent difference between these two type devices. This highlights the next necessary efforts to further improve the efficiency of cells with ionic liquid electrolytes, facilitating the large-scale production and application of flexible thin film mesoscopic solar cells.

  14. Estimating the absorption coefficient of the bottom layer in four-layered turbid mediums based on the time-domain depth sensitivity of near-infrared light reflectance.

    PubMed

    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.

  15. Measurement of the water-octanol partition coefficient of 2,3,7,8-tetrachlorodibenzo-p-dioxin

    SciTech Connect

    Marple, L.; Berridge, B.; Throop, L.

    1986-04-01

    The problems inherent in the shake flask method for measurement of water-octanol partition coefficients were avoided by the use of a cell in which dioxin was allowed to diffuse from the octanol phase into the water phase. Starting from mutually presaturated water and octanol phases, dioxin equilibration appears to be complete within 1 week. Partition coefficients ranged from 3.48 x 10/sup 6/ to 8.87 x 10/sup 6/. Starting from unsaturated phases, we observed a rapid transport of dioxin from the octanol phase into the water phase, followed by a reversal that corresponds to the formation of hydrated dioxin. The average of all partition coefficient measurements for systems at equilibrium is (4.24 +/- 2.73) x 10/sup 6/, giving a log K/sub ow/ of 6.64. 12 references, 2 tables.

  16. Isotopic mass-dependence of metal cation diffusion coefficients in liquid water

    SciTech Connect

    Bourg, I.C.; Richter, F.M.; Christensen, J.N.; Sposito, G.

    2009-01-11

    Isotope distributions in natural systems can be highly sensitive to the mass (m) dependence of solute diffusion coefficients (D) in liquid water. Isotope geochemistry studies routinely have assumed that this mass dependence either is negligible (as predicted by hydrodynamic theories) or follows a kinetic-theory-like inverse square root relationship (D {proportional_to} m{sup -0.5}). However, our recent experimental results and molecular dynamics (MD) simulations showed that the mass dependence of D is intermediate between hydrodynamic and kinetic theory predictions (D {proportional_to} m{sup -{beta}} with 0 {<=} {beta} < 0.2 for Li{sup +}, Cl{sup -}, Mg{sup 2+}, and the noble gases). In this paper, we present new MD simulations and experimental results for Na{sup +}, K{sup +}, Cs{sup +}, and Ca{sup 2+} that confirm the generality of the inverse power-law relation D {proportional_to} m{sup -{beta}}. Our new findings allow us to develop a general description of the influence of solute valence and radius on the mass dependence of D for monatomic solutes in liquid water. This mass dependence decreases with solute radius and with the magnitude of solute valence. Molecular-scale analysis of our MD simulation results reveals that these trends derive from the exponent {beta} being smallest for those solutes whose motions are most strongly coupled to solvent hydrodynamic modes.

  17. Experimental determination of octanol-water partition coefficients of quercetin and related flavonoids.

    PubMed

    Rothwell, Joseph A; Day, Andrea J; Morgan, Michael R A

    2005-06-01

    Octanol-water partition coefficient (log P) values were determined for flavonoids from the flavone, flavonol, flavanone, and isoflavonoid subclasses. Each flavonoid was dissolved in an octanol-water system and allowed to equilibrate, and then both fractions were analyzed by high-performance liquid chromatography. log P was calculated as log[ratio of the concentration in the octanol phase to the concentration in the aqueous phase at pH 7.4]. The aglycons were more lipophilic than any conjugate. The conjugate moiety had a more significant effect on log P than the aglycon moiety. Quercetin was the least lipophilic aglycon (log P = 1.82 +/- 0.32) and, together with kaempferol (log P = 3.11 +/-0.54), gave the most variable results. The isoflavones genistein and daidzein and the isoflavone metabolite equol gave relatively high log P values (3.04 +/- 0.02, 2.51 +/- 0.06, and 3.20 +/- 0.13, respectively), while glycitein had an unexpectedly low value of 1.97 +/- 0.05. The conjugation characteristics and hydroxylation pattern were the most important determinants of log P in general, and log P was highly variable within the flavonoid subclass. The results are discussed in terms of further understanding of the in vivo fate of the flavonoids as important dietary bioactives.

  18. Improved input parameters for diffusion models of skin absorption.

    PubMed

    Hansen, Steffi; Lehr, Claus-Michael; Schaefer, Ulrich F

    2013-02-01

    To use a diffusion model for predicting skin absorption requires accurate estimates of input parameters on model geometry, affinity and transport characteristics. This review summarizes methods to obtain input parameters for diffusion models of skin absorption focusing on partition and diffusion coefficients. These include experimental methods, extrapolation approaches, and correlations that relate partition and diffusion coefficients to tabulated physico-chemical solute properties. Exhaustive databases on lipid-water and corneocyte protein-water partition coefficients are presented and analyzed to provide improved approximations to estimate lipid-water and corneocyte protein-water partition coefficients. The most commonly used estimates of lipid and corneocyte diffusion coefficients are also reviewed. In order to improve modeling of skin absorption in the future diffusion models should include the vertical stratum corneum heterogeneity, slow equilibration processes, the absorption from complex non-aqueous formulations, and an improved representation of dermal absorption processes. This will require input parameters for which no suitable estimates are yet available.

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

    PubMed

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

    2014-05-01

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

  20. Impact of MIE-Resonances on the Atmospheric Absorption of Water Clouds

    NASA Technical Reports Server (NTRS)

    Wiscombe, W.; Kinne, S.; Nussenzveig, H.; Lau, William K. M. (Technical Monitor)

    2002-01-01

    Clouds strongly modulate radiative transfer processes in the Earth's atmosphere. Studies, which simulate bulk properties of clouds, such as absorption, require methods that accurately account for multiple scattering among individual cloud particles. Multiple scattering processes are well described by MIE-theory, if interacting particles have a spherical shape. This is a good assumption for water droplets. Thus, simulations for water clouds (especially for interactions with solar radiation) usually apply readily available MIE-codes. The presence of different drop-sizes, however, necessitates repetitive calculations for many sizes. The usual representation by a few sizes is likely to miss contributions from densely distributed, sharp resonances. Despite their usually narrow width, integrated over the entire size-spectrum of a cloud droplet distribution, the impact of missed resonances could add up. The consideration of these resonances tends to increase cloud extinction and cloud absorption. This mechanism for a larger (than by MIE-methods predicted) solar absorption has the potential to explain observational evidence of larger than predicted cloud absorption at solar wavelengths. The presentation will address the absorption impact of added resonances for typical properties of water clouds (e.g. drop size distributions, drop concentrations and cloud geometry). Special attention will be given to scenarios with observational evidence of law than simulated solar absorption; particularly if simultaneous measurements of cloud micro- and macrophysical properties are available.

  1. Improved method estimating bioconcentration/bioaccumulation factor from octanol/water partition coefficient

    SciTech Connect

    Meylan, W.M.; Howard, P.H.; Aronson, D.; Printup, H.; Gouchie, S.; Boethling, R.S.

    1999-04-01

    A compound`s bioconcentration factor (BDF) is the most commonly used indicator of its tendency to accumulate in aquatic organisms from the surrounding medium. Because it is expensive to measure, the BCF is generally estimated from the octanol/water partition coefficient (K{sub ow}), but currently used regression equations were developed from small data sets that do not adequately represent the wide range of chemical substances now subject to review. To develop and improved method, the authors collected BCF data in a file that contained information on measured BCFs and other key experimental details for 694 chemicals. Log BCF was then regressed against log K{sub ow} and chemicals with significant deviations from the line of best fit were analyzed by chemical structure. The resulting algorithm classifies a substance as either nonionic or ionic, the latter group including carboxylic acids, sulfonic acids and their salts, and quaternary N compounds. Log BCF for nonionics is estimated from log K{sub ow} and a series of correction factors if applicable; different equations apply for log K{sub ow} 1.0 to 7.0 and >7.0. For ionics, chemicals are categorized by log K{sub ow} and a log BCF in the range 0.5 to 1.75 is assigned. Organometallics, nonionics with long alkyl chains, and aromatic azo compounds receive special treatment. The correlation coefficient and mean error for log BCF indicate that the new method is a significantly better fit to existing data than other methods.

  2. The relationship between water vapor absorption and desorption by phospholipids and bilayer phase transitions.

    PubMed

    Mansour, Heidi M; Zografi, George

    2007-02-01

    Water vapor absorption and desorption at 25 degrees C and phase transition temperatures of phospholipid bilayers were measured as a function of relative humidity (RH) to better understand how the patterns of water vapor absorption and desorption are linked to corresponding phase changes induced by the level of hydration. Comparisons were made of the dipalmitoyl and palmitoyloleyol esters of glycerol derivatized with phosphatidyl-choline, -glycerol, -ethanolamine and with phosphatidic acid. The results suggest that the extent of water vapor absorption and desorption at a given RH reflects the combined effects of water-polar group interaction and access of water to the polar region as controlled by intra- and interbilayer molecular packing and intermolecular attractive and repulsive interactions. The results further suggest that the extent of water vapor absorption and desorption over a range of relative humidities reflects the combined effects of the polar group's ability to interact with water, the access that water has to the polar groups as determined by molecular size and various intermolecular and intrabilayer forces of attraction and repulsion, and interbilayer interactions which influence the degree of order/disorder present in the overall solid-state structure. This behavior is also reflected in the changes observed in the various bilayer phase transition temperatures as a function of RH. Analyses of absorption isotherms suggests that after exceeding a critical RH, water initially interacting with these phospholipids most likely forms either stoichiometric or nonstoichiometric crystal hydrates, as with the disaturated derivatives, or hydrated mesophases, as with the gel states of the monounsaturated derivatives.

  3. Low-Dimensional Water on Ru(0001)Model System for X-ray Absorption Spectroscopy Studies of Liquid Water

    SciTech Connect

    Nordlund, D

    2012-02-14

    We present an x-ray absorption spectroscopy results for fully broken to a complete H-bond network of water molecules on Ru(0001) by varying the morphology from isolated water molecules via two-dimensional clusters to a fully covered monolayer as probed by scanning tunneling microscopy. The sensitivity of x-ray absorption to the symmetry of H-bonding is further elucidated for the amino (-NH{sub 2}) group in glycine adsorbed on Cu(110) where the E-vector is parallel either to the NH donating an H-bond or to the non-H-bonded NH. The results give further evidence for the interpretation of the various spectral features of liquid water and for the general applicability of x-ray absorption spectroscopy to analyze H-bonded systems.

  4. Tensile properties and water absorption of zein sheets plasticized with oleic and linoleic acids.

    PubMed

    Budi Santosa, F X; Padua, G W

    1999-05-01

    Corn zein has been investigated for fabrication of biodegradable packaging materials. Our objective was to investigate the effect of added plasticizers, oleic and linoleic acids, on tensile properties and water absorption of zein sheets. Moldable resins were precipitated from aqueous ethanol dispersions of zein and fatty acids and rolled into sheets of approximately 0.5 mm in thickness. To increase plasticization effects, zein-oleic acid sheets were replasticized by heating them in fatty acid baths. Plasticization resulted in flexible sheets of high clarity, low modulus, and high elongation and toughness, although low tensile strength. Water absorption of zein sheets was lowered by plasticization, attributed in part to reduced mass fraction of zein. Polymerization of linoleic acid may have sealed off pores on sheet surfaces, thus slowing water absorption.

  5. Mechanisms of guanylin action on water and ion absorption at different regions of seawater eel intestine.

    PubMed

    Ando, Masaaki; Wong, Marty K S; Takei, Yoshio

    2014-09-15

    Guanylin (GN) inhibited water absorption and short-circuit current (Isc) in seawater eel intestine. Similar inhibition was observed after bumetanide, and the effect of bumetanide was abolished by GN or vice versa, suggesting that both act on the same target, Na(+)-K(+)-2Cl(-) cotransporter (NKCC), which is a key player for the Na(+)-K(+)-Cl(-) transport system responsible for water absorption in marine teleost intestine. However, effect of GN was always greater than that of bumetanide: 10% greater in middle intestine (MI) and 40% in posterior intestine (PI) for Isc, and 25% greater in MI and 34% in PI for water absorption. After treatment with GN, Isc decreased to zero, but 20-30% water absorption still remained. The remainder may be due to the Cl(-)/HCO3 (-) exchanger and Na(+)-Cl(-) cotransporter (NCC), since inhibitors for these transporters almost nullified the remaining water absorption. Quantitative PCR analysis revealed the presence of major proteins involved in water absorption; the NKCC2β and AQP1 genes whose expression was markedly upregulated after seawater acclimation. The SLC26A6 (anion exchanger) and NCCβ genes were also expressed in small amounts. Consistent with the inhibitors' effect, expression of NKCC2β was MI > PI, and that of NCCβ was MI < PI. The present study showed that GN not only inhibits the bumetanide-sensitive Na(+)-K(+)-Cl(-) transport system governed by NKCC2β, but also regulates unknown ion transporters different from GN-insensitive SLC26A6 and NCC. A candidate is cystic fibrosis transmembrane conductance regulator Cl(-) channel, as demonstrated in mammals, but its expression is low in eel intestine, and its role may be minor, as indicated by the small effect of its inhibitors.

  6. Heat transfer coefficient distribution over the inconel plate cooled from high temperature by the array of water jets

    NASA Astrophysics Data System (ADS)

    Malinowski, Z.; Telejko, T.; Cebo-Rudnicka, A.; Szajding, A.; Rywotycki, M.; Hadała, B.

    2016-09-01

    The industrial rolling mills are equipped with systems for controlled water cooling of hot steel products. A cooling rate affects the final mechanical properties of steel which are strongly dependent on microstructure evolution processes. In case of water jets cooling the heat transfer boundary condition can be defined by the heat transfer coefficient. In the present study one and three dimensional heat conduction models have been employed in the inverse solution to heat transfer coefficient. The inconel plate has been heated to about 900oC and then cooled by one, two and six water jets. The plate temperature has been measured by 30 thermocouples. The heat transfer coefficient distributions at plate surface have been determined in time of cooling.

  7. Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

    PubMed

    Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

    2015-04-30

    The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

  8. The Effect of Heat on Structural Characteristics and Water Absorption Behavior of Agave Fibers

    NASA Astrophysics Data System (ADS)

    Saikia, Dip

    2008-04-01

    The structural characteristics and water absorptions behavior agave fibers were investigated over a range of temperature by using XRD, IR, TG and gravimetric methods. Three distinct thermal processes were observed during heating the fiber in the temperature range 310-760 K in air, oxygen and nitrogen invariably. The cellulose structures of the fibers were unaffected on heating up to 450 K. The samples showed thermal decomposition processes beyond 500 K. Fibers displayed a two-stage diffusion behavior. The structural parameters and kinetic of water absorption of the fibers at specific temperatures were analyzed.

  9. Onsager heat of transport for water vapour at the surface of water and ice: thermal accommodation coefficients for water vapour on a stainless-steel surface.

    PubMed

    Pursell, Christopher J; Phillips, Leon F

    2006-10-28

    The Onsager heat of transport Q* has been measured for water vapour at the surface of water, supercooled water, and ice, over the temperature range -8 to +10 degrees C. For liquid water, Q* is constant at -24.7 +/- 3.6 kJ mol(-1) (two standard deviations) over the pressure range 4-9.5 Torr. Provided the ice is suitably aged, the |Q*| values are very similar for water and ice, a result which is consistent with the presence of a liquid-like layer at the surface of ice. The values are slightly larger for ice, in proportion to the ratio of the heat of sublimation of ice to the heat of vaporization of the liquid. Departures from linearity of plots of P against DeltaT are attributed to temperature jumps at the surface of the dry upper plate. Hence jump coefficients and thermal accommodation coefficients have been derived as a function of temperature for collisions of water molecules with type-304 stainless steel.

  10. Assessment of PDMS-water partition coefficients: implications for passive environmental sampling of hydrophobic organic compounds

    USGS Publications Warehouse

    DiFilippo, Erica L.; Eganhouse, Robert P.

    2010-01-01

    Solid-phase microextraction (SPME) has shown potential as an in situ passive-sampling technique in aquatic environments. The reliability of this method depends upon accurate determination of the partition coefficient between the fiber coating and water (Kf). For some hydrophobic organic compounds (HOCs), Kf values spanning 4 orders of magnitude have been reported for polydimethylsiloxane (PDMS) and water. However, 24% of the published data examined in this review did not pass the criterion for negligible depletion, resulting in questionable Kf values. The range in reported Kf is reduced to just over 2 orders of magnitude for some polychlorinated biphenyls (PCBs) when these questionable values are removed. Other factors that could account for the range in reported Kf, such as fiber-coating thickness and fiber manufacturer, were evaluated and found to be insignificant. In addition to accurate measurement of Kf, an understanding of the impact of environmental variables, such as temperature and ionic strength, on partitioning is essential for application of laboratory-measured Kf values to field samples. To date, few studies have measured Kf for HOCs at conditions other than at 20 degrees or 25 degrees C in distilled water. The available data indicate measurable variations in Kf at different temperatures and different ionic strengths. Therefore, if the appropriate environmental variables are not taken into account, significant error will be introduced into calculated aqueous concentrations using this passive sampling technique. A multiparameter linear solvation energy relationship (LSER) was developed to estimate log Kf in distilled water at 25 degrees C based on published physicochemical parameters. This method provided a good correlation (R2 = 0.94) between measured and predicted log Kf values for several compound classes. Thus, an LSER approach may offer a reliable means of predicting log Kf for HOCs whose experimental log Kf values are presently unavailable. Future

  11. Aerosol absorption coefficient and Equivalent Black Carbon by parallel operation of AE31 and AE33 aethalometers at the Zeppelin station, Ny Ålesund, Svalbard

    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

  12. Octanol/water partition coefficients of phthalate esters: A comparison of measured, estimated, and computed values

    SciTech Connect

    Ellington, J.; Floyd, T.

    1995-12-31

    Reliable octanol/water partition coefficients (K{sub ow}) of nine dialkyl phthalate esters are needed in an ongoing benthic organisms toxicity testing program. The equilibrium distribution of an organic chemical between water and octanol (K{sub ow}) is a physical constant that can be used to calculate both bioaccumulation factors (BAFs) and equilibrium constants for sediment-organic carbon partitioning (K{sub oc}). The log K{sub ow}s reported in the literature for a single chemical often span several orders of magnitude. For example, the reported log K{sub ow}s of bis(2-ethylehxyl) phthalate range from a low of 5.11 to a high of 9.61. The log K{sub ow}s of the dialkyl phthalate esters in this study were expected to range from < 2 (dimethyl) to > 8 (didecyl). The slow-stir method as described by de Bruijn has been shown to avoid emulsion formation and allow measure of K{sub ow}s of chemicals with log K{sub ow} > 6. In addition to measurement by the slow-stir method the K{sub ow}s were also determined by a high performance liquid chromatography (HPLC) estimation method and calculated by a computer based program that was designed to calculate physical/chemical properties (SPARC). The greatest difference between the slow-stir and SPARC K{sub ow} values was 0.19 with the other differences less than 0.1 log units. All the HPLC estimated values were at least 0.7 log units lower than the slow-stir value. For example, the log K{sub ow}s determined for dibutly phthalate by the slow-stir, SPARC, and HPLC methods were 4.50 {+-} 0.03, 4.61, and 4.00, respectively.

  13. QSAR models for predicting octanol/water and organic carbon/water partition coefficients of polychlorinated biphenyls.

    PubMed

    Yu, S; Gao, S; Gan, Y; Zhang, Y; Ruan, X; Wang, Y; Yang, L; Shi, J

    2016-04-01

    Quantitative structure-property relationship modelling can be a valuable alternative method to replace or reduce experimental testing. In particular, some endpoints such as octanol-water (KOW) and organic carbon-water (KOC) partition coefficients of polychlorinated biphenyls (PCBs) are easier to predict and various models have been already developed. In this paper, two different methods, which are multiple linear regression based on the descriptors generated using Dragon software and hologram quantitative structure-activity relationships, were employed to predict suspended particulate matter (SPM) derived log KOC and generator column, shake flask and slow stirring method derived log KOW values of 209 PCBs. The predictive ability of the derived models was validated using a test set. The performances of all these models were compared with EPI Suite™ software. The results indicated that the proposed models were robust and satisfactory, and could provide feasible and promising tools for the rapid assessment of the SPM derived log KOC and generator column, shake flask and slow stirring method derived log KOW values of PCBs.

  14. A NON-LINEAR STRUCTURE-PROPERTY MODEL FOR OCTANOL-WATER PARTITION COEFFICIENT.

    PubMed

    Yerramsetty, Krishna M; Neely, Brian J; Gasem, Khaled A M

    2012-10-25

    Octanol-water partition coefficient (K(ow)) is an important thermodynamic property used to characterize the partitioning of solutes between an aqueous and organic phase and has importance in such areas as pharmacology, pharmacokinetics, pharmacodynamics, chemical production and environmental toxicology. We present a non-linear quantitative structure-property relationship model for determining K(ow) values of new molecules in silico. A total of 823 descriptors were generated for 11,308 molecules whose K(ow) values are reported in the PhysProp dataset by Syracuse Research. Optimum network architecture and its associated inputs were identified using a wrapper-based feature selection algorithm that combines differential evolution and artificial neural networks. A network architecture of 50-33-35-1 resulted in the least root-mean squared error (RMSE) in the training set. Further, to improve on single-network predictions, a neural network ensemble was developed by combining five networks that have the same architecture and inputs but differ in layer weights. The ensemble predicted the K(ow) values with RMSE of 0.28 and 0.38 for the training set and internal validation set, respectively. The ensemble performed reasonably well on an external dataset when compared with other popular K(ow) models in the literature.

  15. Measurement of gas/water uptake coefficients for trace gases active in the marine environment

    SciTech Connect

    Davidovits, P. . Dept. of Chemistry); Worsnop, D.W.; Zahniser, M.S.; Kolb, C.E. . Center for Chemical and Environmental Physics)

    1992-02-01

    Ocean produced reduced sulfur compounds including dimethylsulfide (DMS), hydrogen sulfide (H{sub 2}S), carbon disulfide (CS{sub 2}), methyl mercaptan (CH{sub 3}CH) and carbonyl sulfide (OCS) deliver a sulfur burden to the atmosphere which is roughly equal to sulfur oxides produced by fossil fuel combustion. These species and their oxidation products dimethyl sulfoxide (DMSO), dimethyl sulfone (DMSO{sub 2}) and methane sulfonic acid (MSA) dominate aerosol and CCN production in clean marine air. Furthermore, oxidation of reduced sulfur species will be strongly influenced by NO{sub x}/O{sub 3} chemistry in marine atmospheres. The multiphase chemical processes for these species must be understood in order to study the evolving role of combustion produced sulfur oxides over the oceans. We have measured the chemical and physical parameters affecting the uptake of reduced sulfur compounds, their oxidation products, ozone, and nitrogen oxides by the ocean's surface, and marine clouds, fogs, and aerosols. These parameters include: gas/surface mass accommodation coefficients; physical and chemically modified (effective) Henry's law constants; and surface and liquid phase reaction constants. These parameters are critical to understanding both the interaction of gaseous trace species with cloud and fog droplets and the deposition of trace gaseous species to dew covered, fresh water and marine surfaces.

  16. Trophic magnification of PCBs and its relationship to the octanol-water partition coefficient

    USGS Publications Warehouse

    Walters, D.M.; Mills, M.A.; Cade, B.S.; Burkard, L.P.

    2011-01-01

    We investigated polychlorinated biphenyl (PCB) bioaccumulation relative to octanol-water partition coefficient (KOW) and organism trophic position (TP) at the Lake Hartwell Superfund site (South Carolina). We measured PCBs (127 congeners) and stable isotopes (??15N) in sediment, organic matter, phytoplankton, zooplankton, macroinvertebrates, and fish. TP, as calculated from ??15N, was significantly, positively related to PCB concentrations, and food web trophic magnification factors (TMFs) ranged from 1.5-6.6 among congeners. TMFs of individual congeners increased strongly with log KOW, as did the predictive power (r2) of individual TP-PCB regression models used to calculate TMFs. We developed log KOW-TMF models for eight food webs with vastly different environments (freshwater, marine, arctic, temperate) and species composition (cold- vs warmblooded consumers). The effect of KOW on congener TMFs varied strongly across food webs (model slopes 0.0-15.0) because the range of TMFs among studies was also highly variable. We standardized TMFs within studies to mean = 0, standard deviation (SD) = 1 to normalize for scale differences and found a remarkably consistent KOW effect on TMFs (no difference in model slopes among food webs). Our findings underscore the importance of hydrophobicity (as characterized by KOW) in regulating bioaccumulation of recalcitrant compounds in aquatic systems, and demonstrate that relationships between chemical KOW and bioaccumulation from field studies are more generalized than previously recognized. ?? This article not subject to U.S. Copyright. Published 2011 by the American Chemical Society.

  17. Rapid determination of octanol-water partition coefficient using vortex-assisted liquid-liquid microextraction.

    PubMed

    Román, Iván P; Mastromichali, Anna; Tyrovola, Konstantina; Canals, Antonio; Psillakis, Elefteria

    2014-02-21

    Vortex-assisted liquid-liquid microextraction (VALLME) coupled with high-performance liquid chromatography (HPLC) is proposed here for the rapid determination of octanol-water partitioning coefficients (Kow). VALLME uses vortex agitation, a mild emulsification procedure, to disperse microvolumes of octanol in the aqueous phase thus increasing the interfacial contact area and ensuring faster partitioning rates. With VALLME, 2min were enough to achieve equilibrium conditions between the octanolic and aqueous phases. Upon equilibration, separation was achieved using centrifugation and the octanolic microdrop was collected and analyzed in a HPLC system. Six model compounds with logKow values ranging between ∼0.5 and 3.5 were used during the present investigations. The proposed method produced logKow values that were consistent with previously published values and the recorded uncertainty was well within the acceptable log unit range. Overall, the key features of the proposed Kow determination procedure comprised speed, reliability, simplicity, low cost and minimal solvent consumption.

  18. Trophic magnification of PCBs and Its relationship to the octanol-water partition coefficient.

    PubMed

    Walters, David M; Mills, Marc A; Cade, Brian S; Burkard, Lawrence P

    2011-05-01

    We investigated polychlorinated biphenyl (PCB) bioaccumulation relative to octanol-water partition coefficient (K(OW)) and organism trophic position (TP) at the Lake Hartwell Superfund site (South Carolina). We measured PCBs (127 congeners) and stable isotopes (δ¹⁵N) in sediment, organic matter, phytoplankton, zooplankton, macroinvertebrates, and fish. TP, as calculated from δ¹⁵N, was significantly, positively related to PCB concentrations, and food web trophic magnification factors (TMFs) ranged from 1.5-6.6 among congeners. TMFs of individual congeners increased strongly with log K(OW), as did the predictive power (r²) of individual TP-PCB regression models used to calculate TMFs. We developed log K(OW)-TMF models for eight food webs with vastly different environments (freshwater, marine, arctic, temperate) and species composition (cold- vs warmblooded consumers). The effect of K(OW) on congener TMFs varied strongly across food webs (model slopes 0.0-15.0) because the range of TMFs among studies was also highly variable. We standardized TMFs within studies to mean = 0, standard deviation (SD) = 1 to normalize for scale differences and found a remarkably consistent K(OW) effect on TMFs (no difference in model slopes among food webs). Our findings underscore the importance of hydrophobicity (as characterized by K(OW)) in regulating bioaccumulation of recalcitrant compounds in aquatic systems, and demonstrate that relationships between chemical K(OW) and bioaccumulation from field studies are more generalized than previously recognized.

  19. Zone fluidics for measurement of octanol-water partition coefficient of drugs.

    PubMed

    Wattanasin, Panwadee; Saetear, Phoonthawee; Wilairat, Prapin; Nacapricha, Duangjai; Teerasong, Saowapak

    2015-02-20

    A novel zone fluidics (ZF) system for the determination of the octanol-water partition coefficient (Pow) of drugs was developed. The ZF system consisted of a syringe pump with a selection valve, a holding column, a silica capillary flow-cell and an in-line spectrophotometer. Exact microliter volumes of solvents (octanol and phosphate buffer saline) and a solution of the drug, sandwiched between air segments, were sequentially loaded into the vertically aligned holding column. Distribution of the drug between the aqueous and octanol phases occurred by the oscillation movement of the syringe pump piston. Phase separation occurred due to the difference in densities. The liquid zones were then pushed into the detection flow cell. In this method, absorbance measurements in only one of the phase (octanol or aqueous) were employed, which together with the volumes of the solvents and pure drug sample, allowed the calculation of the Pow. The developed system was applied to the determination of the Pow of some common drugs. The log (Pow) values agreed well with a batch method (R(2)=0.999) and literature (R(2)=0.997). Standard deviations for intra- and inter-day analyses were both less than 0.1log unit. This ZF system provides a robust and automated method for screening of Pow values in the drug discovery process.

  20. Temperature dependence of octanol-water partition coefficient for selected chlorobenzenes

    SciTech Connect

    Bahadur, N.P.; Shiu, W.Y.; Boocock, D.G.B.; Mackay, D.

    1997-07-01

    The current emphasis on assessing the environmental impact of both industrial and agricultural chemicals has resulted in an increased reliance on the physical and chemical properties of these compounds to predict their environmental behavior. The octanol-water partition coefficients of seven chlorobenzenes (1,2-dichlorobenzene, 1,4-dichlorobenzene, 1,3,5-trichlorobenzene, 1,2,3,4-tetrachlorobenzene, 1,2,3,5-tetrachlorobenzene, pentachlorobenzene, and hexachlorobenzene) were measured by a conventional shake-flask, batch-contacting method over the temperature range (5 to 45) C. The measurements at 25 C in this study agree well with literature data obtained with comparable methods. The van`t Hoff plots of log K{sub OW} versus T{sup {minus}1} exhibit linearity with values of K{sub OW} increasing by 10%--14% over this temperature range. The enthalpy of phase change ranges from (17 to 24) kJ/mol. These temperature relationships can be incorporated into environmental models which predict the fate of chemicals in aquatic and terrestrial systems over a range of environmental temperatures.

  1. Improvement of microemulsion electrokinetic chromatography for measuring octanol-water partition coefficients.

    PubMed

    Xia, Zhining; Jiang, Xuemei; Mu, Xiaojing; Chen, Hua

    2008-02-01

    Microemulsion electrokinetic chromatography (MEEKC) has been used to indirectly measure octanol-water partition coefficients (log P(ow)) of compounds. In order to obtain an accurate log P(ow) value, the electrophoretic mobilities of the microemulsion phase (mu(me)) and the analyte (mu(eff)) in MEEKC must be accurately required. However, in conventional MEEKC, the shortage of obtaining mu(me) with a tracing method was discovered, and the influences of concentration, injection volume of analyte, and high electric field on measuring mu(eff) were also found. In this paper, a novel method called improved MEEKC (I-MEEKC) was developed to avoid the problems mentioned above. In I-MEEKC, a nonlinearity fitting program was used to obtain mu(me) to avoid the error from tracing mu(me); the extrapolating method was used to eliminate the effects of concentrations and injection volumes of analytes on mu(eff) measurement, and an enough stable microemulsion was selected to eliminate the effect of high electric field on mu(eff )measurement. Then the novel method was applied to estimate log P(ow) of uncharged compounds and charged pharmaceuticals compared to the conventional MEEKC. The log P(ow) of all analytes obtained by I-MEEKC agreed with those obtained by classical shake flask or literature values, the errors between them were within 0.1 logarithm units, better than the ones by conventional MEEKC.

  2. Prediction of octanol-water partition coefficients using a group contribution solvation model

    SciTech Connect

    Lin, S.T.; Sandler, S.I.

    1999-10-01

    Using the recently derived group contribution solvation (GCS) model, the authors have developed a predictive model for the octanol-water partition coefficient (K{sub OW}), the GCSKOW model. In this model K{sub OW} is calculated from two molecular structure parameters, which take into account the size and shape effects, and one energy parameter that determines the attractive interactions between the solute and the solvent. On the basis of quantum mechanical studies, the authors found that for organic solutes with a single strong functional group, all these parameters can be obtained in a group contribution manner. Consequently, the authors present a database here for various functional group contributions in this new, easy-to-use model. The root-mean-square deviation of the predicted log K{sub OW} from the GCSKOW model for 226 solutes is found to be 0.14 (which corresponds to 38% in K{sub OW}), which is considerably less than those from the methods of Hansch and Leo (0.18 in log K{sub OW} or 51%), KOW-UNIFAC (0.21 or 62%), and LSER (0.23 or 71%).

  3. Drag and Bulk Transfer Coefficients Over Water Surfaces in Light Winds

    NASA Astrophysics Data System (ADS)

    Wei, Zhongwang; Miyano, Aiko; Sugita, Michiaki

    2016-08-01

    The drag coefficient (CD), experimentally determined from observed wind speed and surface stress, has been reported to increase in the low wind-speed range (<3 m s^{-1}) as wind speed becomes smaller. However, until now, the exact causes for its occurrence have not been determined. Here, possible causes for increased CD values in near-calm conditions are examined using high quality datasets selected from three-year continuous measurements obtained from the centre of Lake Kasumigaura, the second largest lake in Japan. Based on our analysis, suggested causes including (i) measurement errors, (ii) lake currents, (iii) capillary waves, (iv) the possibility of a measurement height within the interfacial/transition sublayer, and (v) a possible mismatch in the representative time scale used for mean and covariance averaging, are not considered major factors. The use of vector-averaged, instead of scalar-averaged, wind speeds and the presence of waves only partially explain the increase in CD under light winds. A small increase in turbulent kinetic energy due to buoyant production at low wind speeds is identified as the likely major cause for this increase in CD in the unstable atmosphere dominant over inland water surfaces.

  4. Ab initio calculation of the electronic absorption spectrum of liquid water

    SciTech Connect

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  5. Ab initio calculation of the electronic absorption spectrum of liquid water.

    PubMed

    Martiniano, Hugo F M C; Galamba, Nuno; Cabral, Benedito J Costa

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  6. Ab initio calculation of the electronic absorption spectrum of liquid water

    NASA Astrophysics Data System (ADS)

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

    2014-04-01

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  7. Spectral control of an alexandrite laser for an airborne water-vapor differential absorption lidar system

    NASA Technical Reports Server (NTRS)

    Ponsardin, Patrick; Grossmann, Benoist E.; Browell, Edward V.

    1994-01-01

    A narrow-linewidth pulsed alexandrite laser has been greatly modified for improved spectral stability in an aircraft environment, and its operation has been evaluated in the laboratory for making water-vapor differential absorption lidar measurements. An alignment technique is described to achieve the optimum free spectral range ratio for the two etalons inserted in the alexandrite laser cavity, and the sensitivity of this ratio is analyzed. This technique drastically decreases the occurrence of mode hopping, which is commonly observed in a tunable, two-intracavity-etalon laser system. High spectral purity (greater than 99.85%) at 730 nm is demonstrated by the use of a water-vapor absorption line as a notch filter. The effective cross sections of 760-nm oxygen and 730-nm water-vapor absorption lines are measured at different pressures by using this laser, which has a finite linewidth of 0.02 cm(exp -1) (FWHM). It is found that for water-vapor absorption linewidths greater than 0.04 cm(exp -1) (HWHM), or for altitudes below 10 km, the laser line can be considered monochromatic because the measured effective absorption cross section is within 1% of the calculated monochromatic cross section. An analysis of the environmental sensitivity of the two intracavity etalons is presented, and a closed-loop computer control for active stabilization of the two intracavity etalons in the alexandrite laser is described. Using a water-vapor absorption line as a wavelength reference, we measure a long-term frequency drift (approximately 1.5 h) of less than 0.7 pm in the laboratory.

  8. Water transport in plants: Mechanism of apparent changes in resistance during absorption.

    PubMed

    Boyer, J S

    1974-09-01

    Leaf water potentials were measured at various rates of water absorption in whole plants and detached leaves of well-watered Helianthus annuus L. The experiments were conducted in the steady state, where changes in leaf hydration did not affect the measurements but both the transpiration and growth components of absorption could be observed. Calculations of the total plant resistance to water transport showed that the resistance at low fluxes was about 30 times the resistance at high fluxes. Most of the change took place in the leaves, since similar changes could be demonstrated in detached leaves. The roots accounted for little of the change, since they varied in resistance by a factor of only 2.5 as flow varied.To ascertain whether the protoplasts of the leaves varied in resistance by an amount which could account for the change in resistance to water transport, measurements of rates of water movement in and out of the protoplasm were made when gradients in water potential between the protoplasts and the water source were varied. These showed that water movement did not occur at rates which could account for high rates of transpiration even when large differences in potential drove flow. The high temperature sensitivity of efflux confirmed that the leaf protoplasts limited flow in these experiments. When the edge of the leaf was excised and flow occurred primarily through the vascular system of the leaf, the resistance was much lower than in the protoplasts. It is therefore concluded that the leaf protoplasts represent a high resistance to water transport and that a considerable portion of the water involved in transpiration must bypass them.Calculations based on a model of water transport showed that the protoplast resistance was almost 30 times larger than the resistance of the path leading from the soil to the leaf protoplasts. The decrease in resistance of the leaves with increasing rates of absorption was therefore attributed to a decrease in water movement

  9. Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model

    NASA Astrophysics Data System (ADS)

    Diaz-Rodriguez, Sebastian; Bozada, Samantha M.; Phifer, Jeremy R.; Paluch, Andrew S.

    2016-11-01

    We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of 2.2± 0.2 log units (ranking 15 out of 62 entries), the correlation coefficient ( R) was 0.6± 0.1 (ranking 35), and 72± 6 % of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

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

    PubMed

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

    2016-11-17

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

  11. Opto-acoustic measurement of the local light absorption coefficient in turbid media: 1. Monte-Carlo simulation of laser fluence distribution at the beam axis beneath the surface of a turbid medium

    SciTech Connect

    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)

  12. [Fog water absorption by the leaves of epiphytes and non - epiphytes in Xishuangbanna].

    PubMed

    Zheng, Yulong; Feng, Yulong

    2006-06-01

    Xishuangbanna is located at the northern margin of tropics. Its climate is different from that of typical tropics, but the rainforest there is not very different from that of the typical tropics in Southeast Asia. The main problems in Xishuangbanna are seasonal drought and low temperature. Fog may contribute to the development of rainforest here, but related studies are few. This study is aimed to know whether the leaves of epiphytes and non - epiphytes in Xishuangbanna can directly absorb fog water and contribute to their water status recovery, and whether epiphytes are more competent than non - epiphytes in their leaf fog water absorption. The study was conducted in dry season, and four species of epiphytes and six species of non - epiphytes were investigated. The effect of fog was imitated by spraying leaves with distilled water. For epiphytes and non - epiphytes, their leaf water potential (phi), relative water content (RWC), and amount of absorbed water increased gradually with the time of spraying, but the phi of epiphytes increased more quickly than that of non - epiphytes. The leaves of epiphytes Bolbitis scandens and Rhaphidophora decursiva could absorb fog water more quickly, and increase their RWC more greatly than those of non - epiphytes, indicating that these epiphytes were more competent than non - epiphytes in their leaf fog water absorption. The fog water absorption capacity of the leaves in epiphytic orchid Coelogyne occultata and Staurochilus dawsonianus was lower than that in Amischotolype hispida and Mananthus patentflora, but higher than that in other four non - epiphytes. The phi of epiphytes at early evening when no fog was formed was significantly lower than that at early morning, suggesting that fog water was absorbed by epiphytes at night to improve their leaf water status. Non - epiphytes did not need to absorb fog water directly through leaves, and they could recover their leaf water status through absorbing soil water by root system

  13. [Using ultraviolet-visible ( UV-Vis) absorption spectrum to estimate the dissolved organic matter (DOM) concentration in water, soils and sediments of typical water-level fluctuation zones of the Three Gorges Reservoir areas].

    PubMed

    Li, Lu-lu; Jiang, Tao; Lu, Song; Yan, Jin-long; Gao, Jie; Wei, Shi-qiang; Wang, Ding-yong; Guo, Nian; Zhao, Zhena

    2014-09-01

    Dissolved organic matter (DOM) is a very important component in terrestrial ecosystem. Chromophoric dissolved organic matter (CDOM) is a significant constituent of DOM, which can be measured by ultraviolet-visible (UV-Vis) absorption spectrum. Thus the relationship between CDOM and DOM was investigated and established by several types of models including single-wavelength model, double-wavelength model, absorption spectrum slope (S value) model and three-wavelength model, based on the UV-Vis absorption coefficients of soil and sediment samples (sampled in July of 2012) and water samples (sampled in November of 2012) respectively. The results suggested that the three-wavelength model was the best for fitting, and the determination coefficients of water, soil and sediment data were 0. 788, 0. 933 and 0. 856, respectively. Meanwhile, the nominal best model was validated with the UV-Vis data of 32 soil samples and 36 water samples randomly collected in 2013, showing the RRMSE and MRE were 16. 5% and 16. 9% respectively for soil DOM samples, 10. 32% and 9. 06% respectively for water DOM samples, which further suggested the prediction accuracy was higher in water DOM samples as compared with that in soil DOM samples.

  14. Experimental determination of the absorption cross-section and molar extinction coefficient of CdSe and CdTe nanowires.

    PubMed

    Protasenko, Vladimir; Bacinello, Daniel; Kuno, Masaru

    2006-12-21

    Absorption cross-sections and corresponding molar extinction coefficients of solution-based CdSe and CdTe nanowires (NWs) are determined. Chemically grown semiconductor NWs are made via a recently developed solution-liquid-solid (SLS) synthesis, employing low melting Au/Bi bimetallic nanoparticle "catalysts" to induce one-dimensional (1D) growth. Resulting wires are highly crystalline and have diameters between 5 and 12 nm as well as lengths exceeding 10 microm. Narrow diameters, below twice the corresponding bulk exciton Bohr radius of each material, place CdSe and CdTe NWs within their respective intermediate to weak confinement regimes. Supporting this are solution linear absorption spectra of NW ensembles showing blue shifts relative to the bulk band gap as well as structure at higher energies. In the case of CdSe, the wires exhibit band edge emission as well as strong absorption/emission polarization anisotropies at the ensemble and single-wire levels. Analogous photocurrent polarization anisotropies have been measured in recently developed CdSe NW photodetectors. To further support fundamental NW optical/electrical studies as well as to promote their use in device applications, experimental absorption cross-sections are determined using correlated transmission electron microscopy, UV/visible extinction spectroscopy, and inductively coupled plasma atomic emission spectroscopy. Measured CdSe NW cross-sections for 1 microm long wires (diameters, 6-42 nm) range from 6.93 x 10(-13) to 3.91 x 10(-11) cm2 at the band edge (692-715 nm, 1.73-1.79 eV) and between 3.38 x 10(-12) and 5.50 x 10(-11) cm2 at 488 nm (2.54 eV). Similar values are obtained for 1 microm long CdTe NWs (diameters, 7.5-11.5 nm) ranging from 4.32 x 10(-13) to 5.10 x 10(-12) cm2 at the band edge (689-752 nm, 1.65-1.80 eV) and between 1.80 x 10(-12) and 1.99 x 10(-11) cm2 at 2.54 eV. These numbers compare well with previous theoretical estimates of CdSe/CdTe NW cross-sections far to the blue of the

  15. Water absorption in PEEK and PEI matrices. Contribution to the understanding of water-polar group interactions

    NASA Astrophysics Data System (ADS)

    Courvoisier, E.; Bicaba, Y.; Colin, X.

    2016-05-01

    The water absorption in two aromatic linear polymers (PEEK and PEI) was studied between 10% and 90% RH at 30, 50 and 70°C. It was found that these polymers display classical Henry and Fick's behaviors. Moreover, they have very close values of equilibrium water concentration C∞ and water diffusivity D presumably because their respective polar groups establish molecular interactions of the same nature with water. This assumption was checked from a literature compilation of values of C∞ and D for a large variety of linear and tridimensional polymers containing a single type of polar group. It was then evidenced that almost all types of carbonyl group (in particular, those belonging to imides, amides and ketones) have the same molar contribution to water absorption, except those belonging to esters which are much less hydrophilic. Furthermore, hydroxyl and sulfone groups are much more hydrophilic than carbonyl groups so that their molar contribution is located on another master curve. On this basis, semi-empirical structure/water transport property relationships were proposed. It was found that C∞ increases exponentially with the concentration of polar groups (presumably because water is doubly bonded), but also with the intensity of their molecular interactions with water. In contrast, D is inversely proportional to C∞, which means that polar group-water interactions slow down the rate of water diffusion.

  16. Analysis and parameterization of absorption properties of northern Norwegian coastal water

    NASA Astrophysics Data System (ADS)

    Nima, Ciren; Frette, Øyvind; Hamre, Børge; Erga, Svein Rune; Chen, Yi-Chun; Zhao, Lu; Sørensen, Kai; Norli, Marit; Stamnes, Knut; Muyimbwa, Dennis; Ssenyonga, Taddeo; Ssebiyonga, Nicolausi; Stamnes, Jakob J.

    2017-02-01

    Coastal water bodies are generally classified as Case 2 water, in which non-algal particles (NAP) and colored dissolved organic matter (CDOM) contribute significantly to the optical properties in addition to phytoplankton. These three constituents vary independently in Case 2 water and tend to be highly variable in space and time. We present data from measurements and analyses of the spectral absorption due to CDOM, total suspended matter (TSM), phytoplankton, and NAP in high-latitude northern Norwegian coastal water based on samples taken in spring, summer, and autumn.

  17. Comparison of absorption properties of colored dissolved organic matter in six different case 2 water bodies

    NASA Astrophysics Data System (ADS)

    Nima, Ciren; Frette, Øyvind; Hamre, Børge; Erga, Svein Rune; Chen, Yi-Chun; Zhao, Lu; Muyimbwa, Dennis; Ssenyonga, Taddeo; Ssebiyonga, Nicolausi; Okullo, Willy; Stamnes, Knut; Stamnes, Jakob J.

    2017-02-01

    Colored Dissolved Organic Matter (CDOM) is one of the main factors controlling the penetration of solar radiation in Case 2 water and affecting satellite-based estimation of ocean color. We present absorption properties of CDOM sampled in 6 water bodies including three in Norway (Røst coastal water, Samnangerfjord, Lysefjord), two in China (Bohai Sea, Lake Namtso), and one in Africa (Lake Victoria). These locations, which range from near the equator to subarctic regions, include water types from oligotrophic to eutrophic, and altitudes from sea level to 4,700 m above sea level.

  18. Local convective heat transfer coefficient and friction factor of CuO/water nanofluid in a microchannel heat sink

    NASA Astrophysics Data System (ADS)

    Chabi, A. R.; Zarrinabadi, S.; Peyghambarzadeh, S. M.; Hashemabadi, S. H.; Salimi, M.

    2017-02-01

    Forced convective heat transfer in a microchannel heat sink (MCHS) using CuO/water nanofluids with 0.1 and 0.2 vol% as coolant was investigated. The experiments were focused on the heat transfer enhancement in the channel entrance region at Re < 1800. Hydraulic performance of the MCHS was also estimated by measuring friction factor and pressure drop. Results showed that higher convective heat transfer coefficient was obtained at the microchannel entrance. Maximum enhancement of the average heat transfer coefficient compared with deionized water was about 40 % for 0.2 vol% nanofluid at Re = 1150. Enhancement of the convective heat transfer coefficient of nanofluid decreased with further increasing of Reynolds number.

  19. Influence of Aloe vera on water absorption and enzymatic in vitro degradation of alginate hydrogel films.

    PubMed

    Pereira, Rúben F; Carvalho, Anabela; Gil, M H; Mendes, Ausenda; Bártolo, Paulo J

    2013-10-15

    This study investigates the influence of Aloe vera on water absorption and the in vitro degradation rate of Aloe vera-Ca-alginate hydrogel films, for wound healing and drug delivery applications. The influence of A. vera content (5%, 15% and 25%, v/v) on water absorption was evaluated by the incubation of the films into a 0.1 M HCl solution (pH 1.0), acetate buffer (pH 5.5) and simulated body fluid solution (pH 7.4) during 24h. Results show that the water absorption is significantly higher for films containing high A. vera contents (15% and 25%), while no significant differences are observed between the alginate neat film and the film with 5% of A. vera. The in vitro enzymatic degradation tests indicate that an increase in the A. vera content significantly enhances the degradation rate of the films. Control films, incubated in a simulated body fluid solution without enzymes, are resistant to the hydrolytic degradation, exhibiting reduced weight loss and maintaining its structural integrity. Results also show that the water absorption and the in vitro degradation rate of the films can be tailored by changing the A. vera content.

  20. DETERMINING BERYLLIUM IN DRINKING WATER BY GRAPHITE FURNACE ATOMIC ABSORPTION SPECTROSCOPY

    EPA Science Inventory

    A direct graphite furnace atomic absorption spectroscopy method for the analysis of beryllium in drinking water has been derived from a method for determining beryllium in urine. Ammonium phosphomolybdate and ascorbic acid were employed as matrix modifiers. The matrix modifiers s...

  1. TPS/PCL composite reinforced with treated sisal fibers: property, biodegradation and water-absorption

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Sisal fibers bleached with sodium-hydroxide followed by hydrogen peroxide treatment were incorporated in a thermoplastic starch;-polycaprolactone (TPS/PCL) blend via extrusion processing and examined for their property, biodegradability and water-absorption. Scanning electron microscopy revealed wel...

  2. Radiation modification of water absorption of cassava starch by acrylic acid/acrylamide

    NASA Astrophysics Data System (ADS)

    Kiatkamjornwong, Suda; Chomsaksakul, Wararuk; Sonsuk, Manit

    2000-10-01

    Graft copolymerizations of acrylamide and/or acrylic acid onto cassava starch by a simultaneous irradiation technique using gamma-rays as the initiator were studied with regard to various parameters of importance: the monomer-to-cassava starch ratio, total dose (kGy), dose rate (kGy h -1), acrylamide-to-acrylic acid ratio, and the addition of nitric acid and maleic acid as the additives. Grafting parameters were determined in relation to the water absorption of the saponified graft copolymer. The water absorption of the saponified graft copolymer in salt and buffer solutions of different ionic strengths was also measured, from which the superabsorbent properties are found to be pH sensitive. The starch graft copolymers of acrylamide and acrylic acid give higher water absorption than the starch graft copolymers of either acrylamide or acrylic acid alone. The porosity of the saponified starch graft copolymers prepared by the acrylamide/acrylic acid ratios of 70:30 and 50:50 was much higher than the porosity of copolymers in terms of fine networks. Ionic strength and multi-oxidation states of the saline and buffer solutions markedly decreased the water absorption of the saponified cassava starch grafted superabsorbent polymers.

  3. Ultraviolet-visible absorptive features of water extractable and humic fractions of animal manure and compost

    Technology Transfer Automated Retrieval System (TEKTRAN)

    UV-vis spectroscopy is a useful tool for characterizing water extractable or humic fractions of natural organic matter (WEOM). Whereas the whole UV-visible spectra of these fractions are more or less featureless, the specific UV absorptivity at 254 and 280 nm as well as spectral E2/E3 and E4/E6 rat...

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

    PubMed

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

    2000-11-01

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

  5. State-of-the-Art Review on Crystallization Control Technologies for water/LiBr Absorption Heat Pumps

    SciTech Connect

    Wang, Kai; Abdelaziz, Omar; Kisari, Padmaja; Vineyard, Edward Allan

    2011-01-01

    The key technical barrier to using water/lithium bromide (LiBr) as the working fluid in aircooled absorption chillers and absorption heat-pump systems is the risk of crystallization when the absorber temperature rises at fixed evaporating pressure. This article reviews various crystallization control technologies available to resolve this problem: chemical inhibitors, heat and mass transfer enhancement methods, thermodynamic cycle modifications, and absorption system-control strategies. Other approaches, such as boosting absorber pressure and J-tube technology, are reviewed as well. This review can help guide future efforts to develop water/LiBr air-cooled absorption chillers and absorption heatpump systems.

  6. Estimation of octanol/water partition coefficient and aqueous solubility of environmental chemicals using molecular fingerprints and machine learning methods

    EPA Science Inventory

    Octanol/water partition coefficient (logP) and aqueous solubility (logS) are two important parameters in pharmacology and toxicology studies, and experimental measurements are usually time-consuming and expensive. In the present research, novel methods are presented for the estim...

  7. New magnetic nano-absorbent for the determination of n-octanol/water partition coefficients.

    PubMed

    Gao, X; Yu, C H; Tam, K Y; Tsang, S C

    2005-06-15

    A novel and generic miniaturization methodology for the determination of partition coefficient values of organic compounds in n-octanol/water by using magnetic nanoparticles is, for the first time, described. We have successfully designed, synthesised and characterised new colloidal stable porous silica-encapsulated magnetic nanoparticles of controlled dimensions. These nanoparticles absorbing a tiny amount of n-octanol in their porous silica over-layer are homogeneously dispersed into a bulk aqueous phase (pH 7.40) containing an organic compound prior to magnetic separation. The small size of the particles and the efficient mixing allow a rapid establishment of the partition equilibrium of the organic compound between the solid supported n-octanol nano-droplets and the bulk aqueous phase. UV-vis spectrophotometry is then applied as a quantitative method to determine the concentration of the organic compound in the aqueous phase both before and after partitioning (after magnetic separation). logD values of organic compounds of pharmaceutical interest (0.65-3.50), determined by this novel methodology, were found to be in excellent agreement with the values measured by the shake-flask method in two independent laboratories, which are also consistent with the literature data. It was also found that this new technique gives a number of advantages such as providing an accurate measurement of logD value, a much shorter experimental time and a smaller sample size required. With this approach, the formation of a problematic emulsion, commonly encountered in shake-flask experiments, is eliminated. It is envisaged that this method could be applicable to the high throughput logD screening of drug candidates.

  8. Heat and Mass Diffusions in the Absorption of Water Vapor by Aqueous Solution of Lithium Bromide

    NASA Astrophysics Data System (ADS)

    Kashiwagi, Takao; Kurosaki, Yasuo; Nikai, Isao

    The recent development of absorption-type heat pump is highly essential from the viewpoint of extracting the effective energy from waste heat or solar energy. To increase the efficiency of energy conversion, it is important to improve the performance of absorbers. The objective of this paper is to obtain an increased understanding of the fine mechanisms of vapor absorption. A system combining holographic interferometry wity thermometry is adopted to observe the progress of one-dimensional water vapor absorption by aqueous solution of lithium bromide (LiBr) and also to measure the unsteady temperature and concentration distributions in the absorption process. The experiments are carried out under the condition that the solution surface is exposed to the saturated water vapor at reduced pressure, and the effects of LiBr mass concentration on absorption mechanism are examined in the concentration range 20-60 mass%. The interference fringes are analyzed to distinguish between the layers of heat conduction and mass diffusion. The temperature and concentration distributions thus determined experimentally are compared with numerical solutions obtained by the equations for unsteady heat conduction and mass diffusion taking into consideration the effect of heat by dilution, to give reasonable values of mass diffusivity hitherto remaining unknown. Especially in the range of 40-60 mass%, the mass diffusivity decreases extremely with the increase of mass concentration of LiBr and it falls down to 0.7-0.8×10-9 m2/s in case of 60 mass% solution.

  9. Water vapour foreign-continuum absorption in near-infrared windows from laboratory measurements.

    PubMed

    Ptashnik, Igor V; McPheat, Robert A; Shine, Keith P; Smith, Kevin M; Williams, R Gary

    2012-06-13

    For a long time, it has been believed that atmospheric absorption of radiation within wavelength regions of relatively high infrared transmittance (so-called 'windows') was dominated by the water vapour self-continuum, that is, spectrally smooth absorption caused by H(2)O--H(2)O pair interaction. Absorption due to the foreign continuum (i.e. caused mostly by H(2)O--N(2) bimolecular absorption in the Earth's atmosphere) was considered to be negligible in the windows. We report new retrievals of the water vapour foreign continuum from high-resolution laboratory measurements at temperatures between 350 and 430 K in four near-infrared windows between 1.1 and 5 μm (9000-2000 cm(-1)). Our results indicate that the foreign continuum in these windows has a very weak temperature dependence and is typically between one and two orders of magnitude stronger than that given in representations of the continuum currently used in many climate and weather prediction models. This indicates that absorption owing to the foreign continuum may be comparable to the self-continuum under atmospheric conditions in the investigated windows. The calculated global-average clear-sky atmospheric absorption of solar radiation is increased by approximately 0.46 W m(-2) (or 0.6% of the total clear-sky absorption) by using these new measurements when compared with calculations applying the widely used MTCKD (Mlawer-Tobin-Clough-Kneizys-Davies) foreign-continuum model.

  10. Water vapor absorption into amorphous hydrophobic drug/poly(vinylpyrrolidone) dispersions.

    PubMed

    Crowley, Kieran J; Zografi, George

    2002-10-01

    Water vapor absorption isotherms were measured for three amorphous hydrophobic drug/poly(vinylpyrrolidone) (PVP) dispersions in the concentration range 10-90% w/w PVP. Experimental isotherms were compared to predicted isotherms calculated using each individual component isotherm multiplied by its weight fraction. Indomethacin (IMC)/PVP, ursodeoxycholic acid (UDCA)/PVP and indapamide (IDP)/PVP amorphous dispersions all exhibited experimental isotherms reduced relative to predicted isotherms indicating that dispersion formation altered the water vapor absorption properties of the individual components. For all three drug/PVP systems, deviation from predicted water uptake was greatest close to the 1:1 drug:PVP monomer composition, indicating that intermolecular interaction in amorphous dispersions affects the water uptake properties of the individual components. Using dry glass transition temperature (T(g)) data, the extent of drug/PVP interaction was shown to be greatest in the IDP/PVP system, which could explain why the largest reduction in water vapor absorption was found in this system. The plasticizing effect of absorbed water varied according to dry dispersion PVP content in all systems and the resulting nonideal changes in free volume, calculated using the Vrentas model, were greatest close to the 1:1 drug:PVP monomer composition. A three-component Flory-Huggins model successfully predicted isotherms for IMC/PVP compositions from 60 to 90% w/w PVP and identified an IMC-PVP interaction parameter chi in the range 1.27-1.49, values that suggest poor homogeneity of mixing in the dry system. These data indicate that amorphous dispersion formation causes both chemical and physical changes in the individual amorphous components that can have a significant effect on their water vapor absorption properties.

  11. Determination of water absorption and water holding capacities of different soil mixtures with MINIDRAIN system to enhance the plant growth

    NASA Astrophysics Data System (ADS)

    Sudan Acharya, Madhu; Rauchecker, Markus; Wu, Wei

    2014-05-01

    Soil water holding capacity is the amount of water that a given soil can hold against the force of gravity. Soil texture and organic matter are the key components that determine soil water holding capacity. Soils with smaller particle sizes, such as silt and clay have larger surface area can hold more water compared to sand which has large particle sizes which results in smaller surface area. A study report showed that 1% increase in soil humus will result in a 4% increase in stored soil water (Morris, 2004) and 1 part humus holds 4 parts of water (Wheeler and Ward, 1998). Therefore, the more humus that can be added to the soil, the greater the water holding capacity of the soil. As the level of organic matter increases in a soil, the water holding capacity also increases due to the affinity of organic matter for water. The water holding capacity of the soil is determined by the amount of water held in the soil sample vs. the dry weight of the sample. MINIDRAIN is a patented system made of geo-fabric (fleece) or combination of geosynthetics and humus. MINIDRAIN and vegetation nets developed by the company ÖKO-TEX (Linz, Austria) will improve the distribution of water and air in the soils, increase the growth of vegetation and reduce the soil erosion. Depending on the physical configuration, there are four different combinations of MINIDRAIN systems developed by ÖKO-TEX. a) Geotextile (fleece) strips of different sizes (e.g. 5x10x250 mm) b) Net formed strips (drainage nets) of different sizes c) Multilayer geotextile mats with humus, seeds or compost of different sizes (e.g. 10x30x200 mm) d) Multilayer geotextile net formed mats with humus, seeds or compost This paper describes the experimental results of the water absorption and water holding capacity of different forms of MINIDRAIN under different soil mixes. In this experiment, potting soil, coarse sand and LECA (Light weight clay aggregates) balls are mixed with different proportion of MINIDRAIN systems and

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

    PubMed Central

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

    2015-01-01

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

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

    PubMed

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

    2015-01-01

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

  14. H + O3 Fourier-transform infrared emission and laser absorption studies of OH(X2Pi) radical - An experimental dipole moment function and state-to-state Einstein A coefficients

    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.

  15. H + O3 Fourier-transform infrared emission and laser absorption studies of OH(X2Pi) radical - An experimental dipole moment function and state-to-state Einstein A coefficients

    NASA Astrophysics Data System (ADS)

    Nelson, David D., Jr.; Schiffman, Aram; Nesbitt, David J.; Orlando, John J.; Burkholder, James B.

    1990-11-01

    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.

  16. Influence of temperature and turbidity on water COD detection by UV absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhou, Kun-peng; Bi, Wei-hong; Zhang, Qi-hang; Fu, Xing-hu; Wu, Guo-qing

    2016-11-01

    Ultraviolet (UV) absorption spectroscopy is used to detect the concentration of water chemical oxygen demand (COD). The UV absorption spectra of COD solutions are analyzed qualitatively and quantitatively. The partial least square (PLS) algorithm is used to model COD solution and the modeling results are compared. The influence of environmental temperature and turbidity is analyzed. These results show that the influence of temperature on the predicted value can be ignored. However, the change of turbidity can affect the detection results of UV spectra, and the COD detection error can be effectively compensated by establishing the single-element regression model.

  17. A polydimethylsiloxane (PDMS) sponge for the selective absorption of oil from water.

    PubMed

    Choi, Sung-Jin; Kwon, Tae-Hong; Im, Hwon; Moon, Dong-Il; Baek, David J; Seol, Myeong-Lok; Duarte, Juan P; Choi, Yang-Kyu

    2011-12-01

    We present a sugar-templated polydimethylsiloxane (PDMS) sponge for the selective absorption of oil from water. The process for fabricating the PDMS sponge does not require any intricate synthesis processes or equipment and it is not environmentally hazardous, thus promoting potential in environmental applications. The proposed PDMS sponge can be elastically deformed into any shape, and it can be compressed repeatedly in air or liquids without collapsing. Therefore, absorbed oils and organic solvents can be readily removed and reused by simply squeezing the PDMS sponge, enabling excellent recyclability. Furthermore, through appropriately combining various sugar particles, the absorption capacity of the PDMS sponge is favorably optimized.

  18. Water vapour and greenhouse trapping: The role of far infrared absorption

    NASA Astrophysics Data System (ADS)

    Sinha, Ashok; Harries, John E.

    Few observations have been made of atmospheric absorption across the far infra-red. Yet water vapour absorption in this spectral region may significantly effect climate. The impact of far infra-red absorption is assessed by calculating the spectral variation of the total and water vapour greenhouse effects, for the sub-arctic winter (SAW) and tropical (TRP) standard atmospheres. Although the calculated efficiency of greenhouse trapping peaks outside of the far infra-red, the low strength there of the Planck function causes relatively small absolute forcings, except in the carbon dioxide and ozone bands. The sensitivity of the normalised greenhouse effect to water vapour concentration is largest in the far infra-red for the SAW atmosphere, and in the window region for the TRP. The sensitivity differs most between the two atmospheres in the far infra-red. Maximum water vapour greenhouse trapping arises in the far infra-red, over the middle/upper troposphere; in the SAW case the contribution from the water vapour continuum is virtually eliminated. Improved spectral observations and simulations at far infra-red wavelengths thus appear necessary to better understand the contemporary greenhouse effect, and to validate models of climate change.

  19. Explicit use of the Biot coefficient in predicting shear-wave velocity of water-saturated sediments

    USGS Publications Warehouse

    Lee, M.W.

    2006-01-01

    Predicting the shear-wave (S-wave) velocity is important in seismic modelling, amplitude analysis with offset, and other exploration and engineering applications. Under the low-frequency approximation, the classical Biot-Gassmann theory relates the Biot coefficient to the bulk modulus of water-saturated sediments. If the Biot coefficient under in situ conditions can be estimated, the shear modulus or the S-wave velocity can be calculated. The Biot coefficient derived from the compressional-wave (P-wave) velocity of water-saturated sediments often differs from and is less than that estimated from the S-wave velocity, owing to the interactions between the pore fluid and the grain contacts. By correcting the Biot coefficients derived from P-wave velocities of water-saturated sediments measured at various differential pressures, an accurate method of predicting S-wave velocities is proposed. Numerical results indicate that the predicted S-wave velocities for consolidated and unconsolidated sediments agreewell with measured velocities. ?? 2006 European Association of Geoscientists & Engineers.

  20. Absorption and fluorescence properties of chromophoric dissolved organic matter: implications for the monitoring of water quality in a large subtropical reservoir.

    PubMed

    Liu, Xiaohan; Zhang, Yunlin; Shi, Kun; Zhu, Guangwei; Xu, Hai; Zhu, Mengyuan

    2014-12-01

    The development of techniques for real-time monitoring of water quality is of great importance for effectively managing inland water resources. In this study, we first analyzed the absorption and fluorescence properties in a large subtropical reservoir and then used a chromophoric dissolved organic matter (CDOM) fluorescence monitoring sensor to predict several water quality parameters including the total nitrogen (TN), total phosphorus (TP), chemical oxygen demand (COD), dissolved organic carbon (DOC), and CDOM fluorescence parallel factor analysis (PARAFAC) components in the reservoir. The CDOM absorption coefficient at 254 nm (a(254)), the humic-like component (C1), and the tryptophan-like component (C3) decreased significantly along a gradient from the northwest to the lake center, northeast, southwest, and southeast region in the reservoir. However, no significant spatial difference was found for the tyrosine-like component (C2), which contributed only four marked peaks. A highly significant linear correlation was found between the a(254) and CDOM concentration measured using the CDOM fluorescence sensor (r(2) = 0.865, n = 76, p < 0.001), indicating that CDOM concentrations could act as a proxy for the CDOM absorption coefficient measured in the laboratory. Significant correlations were also found between the CDOM concentration and TN, TP, COD, DOC, and the maximum fluorescence intensity of C1, suggesting that the real-time monitoring of CDOM concentrations could be used to predict these water quality parameters and trace the humic-like fluorescence substance in clear aquatic ecosystems with DOC <2 mg/L and total suspended matter (TSM) concentrations <15 mg/L. These results demonstrate that the CDOM fluorescence sensor is a useful tool for on-line water quality monitoring if the empirical relationship between the CDOM concentration measured using the CDOM fluorescence sensor and the water quality parameters is calibrated and validated.

  1. Real-time monitoring of corks' water absorption using laser speckle temporal correlation

    NASA Astrophysics Data System (ADS)

    Nassif, Rana; Abou Nader, Christelle; Pellen, Fabrice; Le Jeune, Bernard; Le Brun, Guy; Abboud, Marie

    2015-08-01

    Physical and mechanical properties of cork allow it solving many types of problems and make it suitable for a wide range of applications. Our objective consists into studying cork's water absorption by analyzing the dynamic speckle field using the temporal correlation method. Experimental results show that the medium was inert at first with the absence of activity, and as the cap cork was more and more immersed into water, the presence of the activity becomes more significant. This temporal parameter revealed the sensibility of biospeckle method to monitor the amount of absorbed water by cork caps.

  2. Determination of traces of silver in waters by anion exchange and atomic absorption spectrophotometry

    USGS Publications Warehouse

    Chao, T.T.; Fishman, M. J.; Ball, J.W.

    1969-01-01

    A method has been developed for the accurate determination of 0.1-1 ??g of silver per liter of water. The method permits stabilization of silver in water without loss to container walls. Optimum conditions have been established for the complete recovery of silver from water with an anion-exchange column, for quantitative elution of silver from the resin, and for measurement of silver by atomic absorption spectrophotometry after chelation with ammonium pyrrolidine dithiocarbamate and extraction of the chelate with MIBK. Silver in the 1-10 ??g 1 range can be determined by extraction without pre-concentration on an ion-exchange resin. ?? 1969.

  3. Advances in Diode-Laser-Based Water Vapor Differential Absorption Lidar

    NASA Astrophysics Data System (ADS)

    Spuler, Scott; Repasky, Kevin; Morley, Bruce; Moen, Drew; Weckwerth, Tammy; Hayman, Matt; Nehrir, Amin

    2016-06-01

    An advanced diode-laser-based water vapor differential absorption lidar (WV-DIAL) has been developed. The next generation design was built on the success of previous diode-laser-based prototypes and enables accurate measurement of water vapor closer to the ground surface, in rapidly changing atmospheric conditions, and in daytime cloudy conditions up to cloud base. The lidar provides up to 1 min resolution, 150 m range resolved measurements of water vapor in a broad range of atmospheric conditions. A description of the instrument and results from its initial field test in 2014 are discussed.

  4. Inhibition of Ileal Water Absorption by Intraluminal Fatty Acids INFLUENCE OF CHAIN LENGTH, HYDROXYLATION, AND CONJUGATION OF FATTY ACIDS

    PubMed Central

    Ammon, Helmut V.; Phillips, Sidney F.

    1974-01-01

    The influence of fatty acids on ileal absorption of water, electrolytes, glucose, and taurocholate was examined in Thirty-Vella fistulas in five mongrel dogs. Fatty acid absorption also was measured. Segments of terminal ileum were perfused at steady state with isotonic electrolyte solutions containing 11.2 mM glucose, 4.5 mM taurocholate, and 0.1-5.0 mM fatty acid. Three C18 fatty acids, oleic acid, 10(9)-hydroxystearic acid, and ricinoleic acid, completely inhibited water absorption at 5 mM. Sodium, chloride, and potassium absorptions were inhibited in parallel with absorption of water. Differences between the potencies of C18 fatty acids were apparent when lesser concentrations were perfused. Dodecanoic and decanoic acids were as effective as C18 fatty acids at 5 mM but octanoic and hexanoic acids were ineffective. The polar group of C18 fatty acids was modified by conjugating oleic and ricinoleic acids with taurine. When these compounds and a substituted C18 fatty acid, p-n-decylbenzenesulfonate, were perfused, water absorption was also inhibited. Short-chain fatty acids (C3 and C4) and their hydroxylated derivatives were ineffective at 5 mM. When water absorption was inhibited, absorption of glucose and taurocholate was decreased. We speculate that the phenomenon of inhibition of water and electrolyte absorption by fatty acids may be relevant to steatorrhea and diarrhea in man. Images PMID:4808636

  5. Second derivative spectrophotometric determination of partition coefficients of phenothiazine derivatives between human erythrocyte ghost membranes and water.

    PubMed

    Kitamura, K; Goto, T; Kitade, T

    1998-08-01

    The absorption spectra of six phenothiazine derivatives, chlorpromazine, triflupromazine, promazine, promethazine, trifluoperazine and prochlorperazine, measured in the solutions containing various amounts of human erythrocyte ghosts (HEG) showed bathocromic shifts according to the amount of HEG. Due to the strong background signals caused by HEG, the baseline compensation was incomplete, even though the sample and the reference solutions contained the same amount of HEG, hence further spectral information could not be obtained. The second derivative spectra of these absorption spectra clearly showed the derivative isosbestic points, indicating that the residual background signal effects were entirely eliminated. The derivative intensity differences of the phenothiazines (DeltaD values) before and after the addition of HEG were measured at a specific wavelength. Using the DeltaD values, the partition coefficients (K(p)) of these drugs were calculated and obtained with R.S.D. of below 10 %. The fractions of partitioned phenothiazines calculated from the K(p) values agreed well with the experimental values. The results indicate that the derivative method can be applicable to the determination of partition coefficients of drugs to HEG without any separation procedures.

  6. Mid-IR absorption sensing of heavy water using a silicon-on-sapphire waveguide.

    PubMed

    Singh, Neetesh; Casas-Bedoya, Alvaro; Hudson, Darren D; Read, Andrew; Mägi, Eric; Eggleton, Benjamin J

    2016-12-15

    We demonstrate a compact silicon-on-sapphire (SOS) strip waveguide sensor for mid-IR absorption spectroscopy. This device can be used for gas and liquid sensing, especially to detect chemically similar molecules and precisely characterize extremely absorptive liquids that are difficult to detect by conventional infrared transmission techniques. We reliably measure concentrations up to 0.25% of heavy water (D2O) in a D2O-H2O mixture at its maximum absorption band at around 4 μm. This complementary metal-oxide-semiconductor (CMOS) compatible SOS D2O sensor is promising for applications such as measuring body fat content or detection of coolant leakage in nuclear reactors.

  7. Interaction between Bisphosphonates and Mineral Water: Study of Oral Risedronate Absorption in Rats.

    PubMed

    Itoh, Akihisa; Akagi, Yuuki; Shimomura, Hitoshi; Aoyama, Takao

    2016-01-01

    Bisphosphonates are antiosteoporotic agents prescribed for patients with osteoporosis. Drug package inserts for bisphosphonate supplements indicate that their bioavailability is reduced by high levels of metal cations (Ca(2+), Mg(2+), etc.). However, standards for these cations in water used for taking risedronate have not been defined. Here, we examined the effect of calcium and magnesium in mineral waters on the bioavailability of the third-generation bisphosphonate, risedronate, following oral administration in rats. As risedronate is unchanged and eliminated renally, risedronate absorption was estimated from the amount excreted in the urine. Risedronate was dissolved in mineral water samples and administered orally at 0.35 mg/kg. Urine samples were collected for 24 h after dosing. Risedronate was extracted from urine using ion-pair solid-phase cartridges and quantified by HPLC with UV detection (262 nm). Cumulative recovery of risedronate was calculated from the amount excreted in the urine. The 24-h recovery of risedronate from evian® (0.32±0.02% [mean±standard deviation (S.D.)], n=4) and Contrex(®) (0.22±0.05%) mineral waters was significantly lower than that from tap water (0.47±0.04%, p<0.01). Absorption of risedronate in calcium chloride and magnesium chloride aqueous solutions of the same hardness (822 mg/L) was 54% (0.27±0.04%) and 12% (0.51±0.08%) lower, respectively, compared with ultrapure water; suggesting that absorption of risedronate declines as the calcium concentration of mineral waters increases. Consumption of mineral waters containing high levels of calcium (80 mg/L or above), such as evian® and Contrex(®), is therefore not recommended when taking risedronate.

  8. The water vapour self- and water-nitrogen continuum absorption in the 1000 and 2500 cm(-1) atmospheric windows.

    PubMed

    Baranov, Yu I; Lafferty, W J

    2012-06-13

    The pure water vapour and water-nitrogen continuum absorption in the 1000 and 2500 cm(-1) atmospheric windows has been studied using a 2 m base-length White-type multi-pass cell coupled with a BOMEM DA3-002 Fourier transform infrared spectrometer. The measurements were carried out at the National Institute of Standards and Technology (NIST, Gaithersburg, MD) over the course of several years (2004, 2006-2007, 2009). New data on the H(2)O:N(2) continuum in the 1000 cm(-1) window are presented and summarized along with the other experimental results and the continuum model. The experimental data reported on the water vapour continuum in these atmospheric windows basically agree with the most reliable laboratory data from the other sources. The MT_CKD (Mlawer-Tobin-Clough-Kneizys-Davies) continuum model significantly departs from the experimental data in both windows. The deviation observed includes the continuum magnitude, spectral behaviour and temperature dependence. In the 2500 cm(-1) region, the model does not allow for the nitrogen fundamental collision-induced absorption (CIA) band intensity enhancement caused by H(2)O:N(2) collisions and underestimates the actual absorption by over two orders of magnitude. The water vapour continuum interpretation as a typical CIA spectrum is reviewed and discussed.

  9. Water Absorption and HEMA Release of Resin-Modified Glass-Ionomers

    PubMed Central

    Beriat, Nilufer Celebi; Nalbant, Dilek

    2009-01-01

    Objectives The aim of this study was to evaluate the water absorption and the amount of hydroxyethyl metacrylate (HEMA) level released from various resin modified glass ionomer cements. Methods Advance, Vitremer and Protec-Cem resin modified glass ionomer cements were used to evaluate the HEMA release. Ten specimens were fabricated from each cement in 10 x 1 mm height. Thirty specimens were immersed in glass containers filled with 20 ml deionized water. 1 ml solution was taken from the container at 10 minutes, 1 hour, 24 hour and 7 days intervals from each group and analyzed with high performance liquid chromatography (HPLC) machine and the results are presented in ppm. The data were subjected to Kruskal-Wallis, Mann-Whitney and Wilcoxon tests at a 0.05 significance level. Results At all time intervals Vitremer showed highest HEMA release ( 10 min: 54.2 ppm; 1 h: 86.8 ppm; 24 h: 93.4 ppm) (P=0.0001). At the end of 10 minutes and first hour, following Vitremer, HEMA release was highest for Protec-Cem (10 min: 14.8 ppm; 1 h: 23.6 ppm) and then Advance (10 min: 5.5 ppm; 1 h: 18.8 ppm) (P<.05). Water absorption tests were performed according to the specifications of ISO 4049. Water absorption was highest for Vitremer and lowest for the Protec-Cem and the difference among cement groups was significant (P<.005). Conclusions Vitremer showed the highest HEMA release and water absorption values and Protec-Cem showed the lowest values. HEMA release by time was significant for Advance cement. This release may be relevant both to the risk of adverse pulpal responses in patients and to the risk of allergy in patients and dental personnel. PMID:19826597

  10. Reflective-tube absorption meter

    NASA Astrophysics Data System (ADS)

    Zaneveld, J. Ronald V.; Bartz, Robert; Kitchen, James C.

    1990-09-01

    The design and calibration of a proposed in situ spectral absorption meter is evaluated using a laboratory prototype. The design includes a silver coated (second-surface) glass tube, a tungsten light source (stabilized by means of optical feedback), a monochromator, and a solid state detector. The device measures the absorption coefficient plus a portion of the volume scattering function. Theoretical analyses and laboratory experiments which explore the magnitude and variation of the errors due to scattering and internal reflections are described. Similar analyses are performed on the Cary 1 18 Spectrophotometer to allow cross calibration. Algorithms to yield the abscrption coefficient and the zenith-sun diffuse attenuation coefficient are presented and evaluated. Simultaneous measurement of the beam attenuation or backscattering coefficient allows use of algoriThms with much narrower error bands. The various methods of obtaining absorption and diffuse attenuation values are compared. Procedures for using reverse osmosis filtration to produce a clean water calibration standard are described. An absorption spectrum for pure water is obtained. Development of the absorption meter is proceeding along two lines: 1) a two-wavelength side-by-side LED is being fabricated to allow an in situ chlorophyll a absorption meter to be constructed, and 2) scientific projects using a shipboard or laboratory flow.-through pumping system are being planned.

  11. Control of pulmonary absorption of water-soluble compounds by various viscous vehicles.

    PubMed

    Yamamoto, Akira; Yamada, Keigo; Muramatsu, Hideaki; Nishinaka, Asako; Okumura, Shigeki; Okada, Naoki; Fujita, Takuya; Muranishi, Shozo

    2004-09-10

    Effects of various viscous vehicles on the pulmonary absorption of water-soluble drugs were examined by an in situ pulmonary absorption experiment. Gelatin, polyvinylacohol (PVA), hydroxypropylcellose (HPC), chondroitin sulfate A sodium salt (CS), polyacrylic acid (PAA), methylcellulose #400 (MC400) and hyaluronic acid sodium salt (HA) were used as models of viscous vehicles. 5(6)-Carboxyfluorescein (CF) and fluorescein isothiocayanate-labeled dextran with an average molecular weight of 4000 (FD4) were used as water-soluble drugs. The plasma concentration of CF was controlled and regulated in the presence of these viscous vehicles, especially gelatin (1-5%) and polyvinyl alcohol (PVA) 1%. In the pharmacokinetic analysis, the Cmax values of CF significantly decreased, and its Tmax values increased in the presence of these viscous vehicles compared with the control. The MRT and MAT values of CF with these vehicles were significantly higher than those without these vehicles. Therefore, these findings indicated that the viscous vehicles were effective to regulate the absorption rate of CF. On the other hand, the pulmonary absorption of FD4 was not so much affected even in the presence of gelatin and PVA, although PVA slightly decreased MRT value, and significantly decreased Tmax value. Furthermore, we examined the release rate of CF from the cellulose tube containing various concentrations of gelatin. The release rate of CF from the cellulose tube with gelatin was inversely related to the viscosity of gelatin. In addition, the release rate of CF was inversely related to DeltaMAT (DeltaMAT = MATgel(MAT with gelatin)-MATsol(MAT without gelatin)) in the presence of varying concentrations of gelatin. These findings indicated that these viscous vehicles were effective to control the pulmonary absorption of CF, a water-soluble drug with low molecular weight and they might be useful to increase the local concentration of drugs in the lung.

  12. Ammonia and ammonium hydroxide sensors for ammonia/water absorption machines: Literature review and data compilation

    NASA Astrophysics Data System (ADS)

    Anheier, N. C., Jr.; McDonald, C. E.; Cuta, J. M.; Cuta, F. M.; Olsen, K. B.

    1995-05-01

    This report describes an evaluation of various sensing techniques for determining the ammonia concentration in the working fluid of ammonia/water absorption cycle systems. The purpose was to determine if any existing sensor technology or instrumentation could provide an accurate, reliable, and cost-effective continuous measure of ammonia concentration in water. The resulting information will be used for design optimization and cycle control in an ammonia-absorption heat pump. Pacific Northwest Laboratory (PNL) researchers evaluated each sensing technology against a set of general requirements characterizing the potential operating conditions within the absorption cycle. The criteria included the physical constraints for in situ operation, sensor characteristics, and sensor application. PNL performed an extensive literature search, which uncovered several promising sensing technologies that might be applicable to this problem. Sixty-two references were investigated, and 33 commercial vendors were identified as having ammonia sensors. The technologies for ammonia sensing are acoustic wave, refractive index, electrode, thermal, ion-selective field-effect transistor (ISFET), electrical conductivity, pH/colormetric, and optical absorption. Based on information acquired in the literature search, PNL recommends that follow-on activities focus on ISFET devices and a fiber optic evanescent sensor with a colormetric indicator. The ISFET and fiber optic evanescent sensor are inherently microminiature and capable of in situ measurements. Further, both techniques have been demonstrated selective to the ammonium ion (NH4(+)). The primary issue remaining is how to make the sensors sufficiently corrosion-resistant to be useful in practice.

  13. Ammonia and ammonium hydroxide sensors for ammonia/water absorption machines: Literature review and data compilation

    SciTech Connect

    Anheier, N.C. Jr.; McDonald, C.E.; Cuta, J.M.; Cuta, F.M.; Olsen, K.B.

    1995-05-01

    This report describes an evaluation of various sensing techniques for determining the ammonia concentration in the working fluid of ammonia/water absorption cycle systems. The purpose of this work was to determine if any existing sensor technology or instrumentation could provide an accurate, reliable, and cost-effective continuous measure of ammonia concentration in water. The resulting information will be used for design optimization and cycle control in an ammonia-absorption heat pump. PNL researchers evaluated each sensing technology against a set of general requirements characterizing the potential operating conditions within the absorption cycle. The criteria included the physical constraints for in situ operation, sensor characteristics, and sensor application. PNL performed an extensive literature search, which uncovered several promising sensing technologies that might be applicable to this problem. Sixty-two references were investigated, and 33 commercial vendors were identified as having ammonia sensors. The technologies for ammonia sensing are acoustic wave, refractive index, electrode, thermal, ion-selective field-effect transistor (ISFET), electrical conductivity, pH/colormetric, and optical absorption. Based on information acquired in the literature search, PNL recommends that follow-on activities focus on ISFET devices and a fiber optic evanescent sensor with a colormetric indicator. The ISFET and fiber optic evanescent sensor are inherently microminiature and capable of in situ measurements. Further, both techniques have been demonstrated selective to the ammonium ion (NH{sub 4}{sup +}). The primary issue remaining is how to make the sensors sufficiently corrosion-resistant to be useful in practice.

  14. Water vapour absorption in the clear atmosphere of a Neptune-sized exoplanet.

    PubMed

    Fraine, Jonathan; Deming, Drake; Benneke, Bjorn; Knutson, Heather; Jordán, Andrés; Espinoza, Néstor; Madhusudhan, Nikku; Wilkins, Ashlee; Todorov, Kamen

    2014-09-25

    Transmission spectroscopy has so far detected atomic and molecular absorption in Jupiter-sized exoplanets, but intense efforts to measure molecular absorption in the atmospheres of smaller (Neptune-sized) planets during transits have revealed only featureless spectra. From this it was concluded that the majority of small, warm planets evolve to sustain atmospheres with high mean molecular weights (little hydrogen), opaque clouds or scattering hazes, reducing our ability to observe the composition of these atmospheres. Here we report observations of the transmission spectrum of the exoplanet HAT-P-11b (which has a radius about four times that of Earth) from the optical wavelength range to the infrared. We detected water vapour absorption at a wavelength of 1.4 micrometres. The amplitude of the water absorption (approximately 250 parts per million) indicates that the planetary atmosphere is predominantly clear down to an altitude corresponding to about 1 millibar, and sufficiently rich in hydrogen to have a large scale height (over which the atmospheric pressure varies by a factor of e). The spectrum is indicative of a planetary atmosphere in which the abundance of heavy elements is no greater than about 700 times the solar value. This is in good agreement with the core-accretion theory of planet formation, in which a gas giant planet acquires its atmosphere by accreting hydrogen-rich gas directly from the protoplanetary nebula onto a large rocky or icy core.

  15. Determinati