Simulation of substrate degradation in composting of sewage sludge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang Jun; Gao Ding, E-mail: gaod@igsnrr.ac.c; Chen Tongbin

2010-10-15

To simulate the substrate degradation kinetics of the composting process, this paper develops a mathematical model with a first-order reaction assumption and heat/mass balance equations. A pilot-scale composting test with a mixture of sewage sludge and wheat straw was conducted in an insulated reactor. The BVS (biodegradable volatile solids) degradation process, matrix mass, MC (moisture content), DM (dry matter) and VS (volatile solid) were simulated numerically by the model and experimental data. The numerical simulation offered a method for simulating k (the first-order rate constant) and estimating k{sub 20} (the first-order rate constant at 20 {sup o}C). After comparison withmore » experimental values, the relative error of the simulation value of the mass of the compost at maturity was 0.22%, MC 2.9%, DM 4.9% and VS 5.2%, which mean that the simulation is a good fit. The k of sewage sludge was simulated, and k{sub 20}, k{sub 20s} (first-order rate coefficient of slow fraction of BVS at 20 {sup o}C) of the sewage sludge were estimated as 0.082 and 0.015 d{sup -1}, respectively.« less

Computational Fluid Dynamics Based Extraction of Heat Transfer Coefficient in Cryogenic Propellant Tanks

NASA Technical Reports Server (NTRS)

Yang, H. Q.; West, Jeff

2015-01-01

Current reduced-order thermal model for cryogenic propellant tanks is based on correlations built for flat plates collected in the 1950's. The use of these correlations suffers from: inaccurate geometry representation; inaccurate gravity orientation; ambiguous length scale; and lack of detailed validation. The work presented under this task uses the first-principles based Computational Fluid Dynamics (CFD) technique to compute heat transfer from tank wall to the cryogenic fluids, and extracts and correlates the equivalent heat transfer coefficient to support reduced-order thermal model. The CFD tool was first validated against available experimental data and commonly used correlations for natural convection along a vertically heated wall. Good agreements between the present prediction and experimental data have been found for flows in laminar as well turbulent regimes. The convective heat transfer between tank wall and cryogenic propellant, and that between tank wall and ullage gas were then simulated. The results showed that commonly used heat transfer correlations for either vertical or horizontal plate over predict heat transfer rate for the cryogenic tank, in some cases by as much as one order of magnitude. A characteristic length scale has been defined that can correlate all heat transfer coefficients for different fill levels into a single curve. This curve can be used for the reduced-order heat transfer model analysis.

CFD Extraction of Heat Transfer Coefficient in Cryogenic Propellant Tanks

NASA Technical Reports Server (NTRS)

Yang, H. Q.; West, Jeff

2015-01-01

Current reduced-order thermal model for cryogenic propellant tanks is based on correlations built for flat plates collected in the 1950's. The use of these correlations suffers from inaccurate geometry representation; inaccurate gravity orientation; ambiguous length scale; and lack of detailed validation. This study uses first-principles based CFD methodology to compute heat transfer from the tank wall to the cryogenic fluids and extracts and correlates the equivalent heat transfer coefficient to support reduced-order thermal model. The CFD tool was first validated against available experimental data and commonly used correlations for natural convection along a vertically heated wall. Good agreements between the present prediction and experimental data have been found for flows in laminar as well turbulent regimes. The convective heat transfer between the tank wall and cryogenic propellant, and that between the tank wall and ullage gas were then simulated. The results showed that the commonly used heat transfer correlations for either vertical or horizontal plate over-predict heat transfer rate for the cryogenic tank, in some cases by as much as one order of magnitude. A characteristic length scale has been defined that can correlate all heat transfer coefficients for different fill levels into a single curve. This curve can be used for the reduced-order heat transfer model analysis.

Night-time tropospheric chemistry of the unsaturated alcohols ( Z)-pent-2-en-1-ol and pent-1-en-3-ol: Kinetic studies of reactions of NO 3 and N 2O 5 with stress-induced plant emissions

NASA Astrophysics Data System (ADS)

Pfrang, Christian; Baeza Romero, Maria T.; Cabanas, Beatriz; Canosa-Mas, Carlos E.; Villanueva, Florentina; Wayne, Richard P.

The night-time tropospheric chemistry of two stress-induced volatile organic compounds (VOCs), ( Z)-pent-2-en-1-ol and pent-1-en-3-ol, has been studied at room temperature. Rate coefficients for reactions of the nitrate radical (NO 3) with these pentenols were measured using the discharge-flow technique. Because of the relatively low volatility of these compounds, we employed off-axis continuous-wave cavity-enhanced absorption spectroscopy for detection of NO 3 in order to be able to work in pseudo first-order conditions with the pentenols in large excess over NO 3. The rate coefficients were determined to be (1.53±0.23)×10 -13 and (1.39±0.19)×10 -14 cm 3 molecule -1 s -1 for reactions of NO 3 with ( Z)-pent-2-en-1-ol and pent-1-en-3-ol. An attempt to study the kinetics of these reactions with a relative-rate technique, using N 2O 5 as source of NO 3 resulted in significantly higher apparent rate coefficients. Performing relative-rate experiments in known excesses of NO 2 allowed us to determine the rate coefficients for the N 2O 5 reactions to be (5.0±2.8)×10 -19 cm 3 molecule -1 s -1 for ( Z)-pent-2-en-1-ol, and (9.1±5.8)×10 -19 cm 3 molecule -1 s -1 for pent-1-en-3-ol. We show that these relatively slow reactions can indeed interfere with rate determinations in conventional relative-rate experiments.

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

Six-Year Nitrogen-Water Interaction Shifts the Frequency Distribution and Size Inequality of the First-Order Roots of Fraxinus mandschurica in a Mixed Mature Pinus koraiensis Forest.

PubMed

Wang, Cunguo; Geng, Zhenzhen; Chen, Zhao; Li, Jiandong; Guo, Wei; Zhao, Tian-Hong; Cao, Ying; Shen, Si; Jin, Daming; Li, Mai-He

2017-01-01

The variation in fine root traits in terms of size inequality at the individual root level can be identified as a strategy for adapting to the drastic changes in soil water and nutrient availabilities. The Gini and Lorenz asymmetry coefficients have been applied to describe the overall degree of size inequality, which, however, are neglected when conventional statistical means are calculated. Here, we used the Gini coefficient, Lorenz asymmetry coefficient and statistical mean in an investigation of Fraxinus mandschurica roots in a mixed mature Pinus koraiensis forest on Changbai Mountain, China. We analyzed 967 individual roots to determine the responses of length, diameter and area of the first-order roots and of branching intensity to 6 years of nitrogen addition (N), rainfall reduction (W) and their combination (NW). We found that first-order roots had a significantly greater average length and area but had smaller Gini coefficients in NW plots compared to in control plots (CK). Furthermore, the relationship between first-order root length and branching intensity was negative in CK, N, and W plots but positive in NW plots. The Lorenz asymmetry coefficient was >1 for the first-order root diameter in NW and W plots as well as for branching intensity in N plots. The bimodal frequency distribution of the first-order root length in NW plots differed clearly from the unimodal one in CK, N, and W plots. These results demonstrate that not only the mean but also the variation and the distribution mode of the first-order roots of F. mandschurica respond to soil nitrogen and water availability. The changes in size inequality of the first-order root traits suggest that Gini and Lorenz asymmetry coefficients can serve as informative parameters in ecological investigations of roots to improve our ability to predict how trees will respond to a changing climate at the individual root level.

Six-Year Nitrogen–Water Interaction Shifts the Frequency Distribution and Size Inequality of the First-Order Roots of Fraxinus mandschurica in a Mixed Mature Pinus koraiensis Forest

PubMed Central

Wang, Cunguo; Geng, Zhenzhen; Chen, Zhao; Li, Jiandong; Guo, Wei; Zhao, Tian-Hong; Cao, Ying; Shen, Si; Jin, Daming; Li, Mai-He

2017-01-01

The variation in fine root traits in terms of size inequality at the individual root level can be identified as a strategy for adapting to the drastic changes in soil water and nutrient availabilities. The Gini and Lorenz asymmetry coefficients have been applied to describe the overall degree of size inequality, which, however, are neglected when conventional statistical means are calculated. Here, we used the Gini coefficient, Lorenz asymmetry coefficient and statistical mean in an investigation of Fraxinus mandschurica roots in a mixed mature Pinus koraiensis forest on Changbai Mountain, China. We analyzed 967 individual roots to determine the responses of length, diameter and area of the first-order roots and of branching intensity to 6 years of nitrogen addition (N), rainfall reduction (W) and their combination (NW). We found that first-order roots had a significantly greater average length and area but had smaller Gini coefficients in NW plots compared to in control plots (CK). Furthermore, the relationship between first-order root length and branching intensity was negative in CK, N, and W plots but positive in NW plots. The Lorenz asymmetry coefficient was >1 for the first-order root diameter in NW and W plots as well as for branching intensity in N plots. The bimodal frequency distribution of the first-order root length in NW plots differed clearly from the unimodal one in CK, N, and W plots. These results demonstrate that not only the mean but also the variation and the distribution mode of the first-order roots of F. mandschurica respond to soil nitrogen and water availability. The changes in size inequality of the first-order root traits suggest that Gini and Lorenz asymmetry coefficients can serve as informative parameters in ecological investigations of roots to improve our ability to predict how trees will respond to a changing climate at the individual root level. PMID:29018474

Fractal kinetics of radiation-induced point-defect formation and decay in amorphous insulators: Application to color centers in silica-based optical fibers

NASA Astrophysics Data System (ADS)

Griscom, David L.

2001-11-01

Formalisms have been developed to express the time evolution of bimolecular processes taking place in fractal spaces. These ``stretched-second-order'' solutions are specifically applicable to radiation-induced electron-hole pairs and/or vacancy-interstitial pairs in insulating glasses. Like the analogous Kohlrausch-type (stretched-first-order) expressions, the present solutions are functions of (kt)β, where 0<β<1, k is an effective rate coefficient, and t is time. Both the new second-order formalism and the familiar Kohlrausch approach have been used to fit experimental data (induced optical absorptions in silica-based glasses monitored at selected wavelengths) that serve as proxies for the numbers of color centers created by γ irradiation and/or destroyed by processes involving thermal, optical, or γ-ray activation. Two material systems were investigated: (1) optical fibers with Ge-doped-silica cores and (2) fibers with low-OH/low-chloride pure-silica cores. Successful fits of the growth curves for the Ge-doped-silica-core fibers at four widely separated dose rates were accomplished using solutions for color-center concentrations, N[(kt)β], which approach steady-state values, Nsat, as t-->∞. The parametrization of these fits reveals some unexpected, and potentially useful, empirical rules regarding the dose-rate dependences of β, k, and Nsat in the fractal regime (0<β<1). Similar, though possibly not identical, rules evidently apply to color centers in the pure-silica-core fibers as well. In both material systems, there appear to be fractal<==> classical phase transitions at certain threshold values of dose rate, below which the dose-rate dependencies of k and Nsat revert to those specified by classical (β=1) first- or second-order kinetics. For kt<<1, both the first- and second-order fractal kinetic growth curves become identical, i.e., N((kt)β)~Atβ, where the coefficient A depends on dose rate but not kinetic order. It is found empirically that A depends on the 3β/2 power of dose rate in both first- and second-order kinetics, thus ``accidentally'' becoming linearly proportional to dose rate in cases where β~2/3 (characteristic of random fractals and many disordered materials). If interfering dose-rate-independent components are absent, it is possible to distinguish the order of the kinetics from the shapes of the growth and decay curves in both fractal and classical regimes. However, for reasons that are discussed, the parameters that successfully fit the experimental growth curves could not be used as bases for closed-form predictions of the shapes of the decay curves recorded when the irradiation is interrupted.

Evaluation of sulfate reduction at experimentally induced mixing interfaces using small-scale push-pull tests in an aquifer-wetland system

USGS Publications Warehouse

Kneeshaw, T.A.; McGuire, J.T.; Smith, E.W.; Cozzarelli, I.M.

2007-01-01

This paper presents small-scale push-pull tests designed to evaluate the kinetic controls on SO42 - reduction in situ at mixing interfaces between a wetland and aquifer impacted by landfill leachate at the Norman Landfill research site, Norman, OK. Quantifying the rates of redox reactions initiated at interfaces is of great interest because interfaces have been shown to be zones of increased biogeochemical transformations and thus may play an important role in natural attenuation. To mimic the aquifer-wetland interface and evaluate reaction rates, SO42 --rich anaerobic aquifer water (??? 100 mg / L SO42 -) was introduced into SO42 --depleted wetland porewater via push-pull tests. Results showed SO42 - reduction was stimulated by the mixing of these waters and first-order rate coefficients were comparable to those measured in other push-pull studies. However, rate data were complex involving either multiple first-order rate coefficients or a more complex rate order. In addition, a lag phase was observed prior to SO42 - reduction that persisted until the mixing interface between test solution and native water was recovered, irrespective of temporal and spatial constraints. The lag phase was not eliminated by the addition of electron donor (acetate) to the injected test solution. Subsequent push-pull tests designed to elucidate the nature of the lag phase support the importance of the mixing interface in controlling terminal electron accepting processes. These data suggest redox reactions may occur rapidly at the mixing interface between injected and native waters but not in the injected bulk water mass. Under these circumstances, push-pull test data should be evaluated to ensure the apparent rate is actually a function of time and that complexities in rate data be considered. ?? 2007 Elsevier Ltd. All rights reserved.

Assessment of rate of drug release from oil vehicle using a rotating dialysis cell.

PubMed

Larsen, D H; Fredholt, K; Larsen, C

2000-09-01

The rate constants for transfer of model compounds (naproxen and lidocaine) from oily vehicle (Viscoleo) to aqueous buffer phases were determined by use of the rotating dialysis cell. Release studies were done for the partly ionized compounds at several pH values. A correlation between the overall first-order rate constant related to attainment of equilibrium, k(obs), and the pH-dependent distribution coefficient, D, determined between oil vehicle and aqueous buffer was established according to the equation: logk(obs)=-0.71 logD-0.22 (k(obs) in h(-1)). Based on this correlation it was suggested that the rate constant of a weak electrolyte at a specified D value could be considered equal to the k(obs) value for a non-electrolyte possessing a partition coefficient, P(app), the magnitude of which was equal to D. Specific rate constants k(ow) and k(wo) were calculated from the overall rate constant and the pH-dependent distribution coefficient. The rate constant representing the transport from oily vehicle to aqueous phase, k(ow), was found to be significantly influenced by the magnitude of the partition coefficient P(app) according to: logk(ow)=-0.71 logP(app)-log(P(app)+1)-0.22 (k(ow) in h(-1)).

Quantification of atmospheric methane oxidation in glacier forefields: Initial survey results

NASA Astrophysics Data System (ADS)

Nauer, Philipp A.; Schroth, Martin H.; Pinto, Eric A.; Zeyer, Josef

2010-05-01

The oxidation of CH4 by methanotrophic bacteria is the only known terrestrial sink for atmospheric CH4. Aerobic methanotrophs are active in soils and sediments under various environmental conditions. However, little is known about the activity and abundance of methanotrophs in pioneering ecosystems and their role in succession. In alpine environments, receding glaciers pose a unique opportunity to investigate soil development and ecosystem succession. In an initial survey during summer and autumn 2009 we probed several locations in the forefields of four glaciers in the Swiss Alps to quantify the turnover of atmospheric methane in recently exposed soils. Three glacier forefields (the Stein, Steinlimi and Tiefen) are situated on siliceous bedrock, while one (the Griessen) is situated on calcareous bedrock. We sampled soil air from different depths to generate CH4 concentration profiles for qualitative analysis. At selected locations we applied surface Gas Push-Pull Tests (GPPT) to estimate first-order rate coefficients of CH4 oxidation. The test consists of a controlled injection of the reactants CH4 and O2 and the tracer Ar into and out of the soil at the same location. A top-closed steel cylinder previously emplaced in the soil encloses the injected gas mixture to ensure sufficient reaction times. Rate coefficients can be derived from differences of reactant and tracer breakthrough curves. In one GPPT we employed 13C-CH4 and measured the evolution of δ13C of extracted CO2. To confirm rate coefficients obtained by GPPTs we estimated effective soil diffusivity from soil core samples and fitted a diffusion-consumption model to our profile data. A qualitative analysis of the concentration profiles showed little activity in the forefields on siliceous bedrock, with only one out of fifteen locations exhibiting substantially lower CH4 concentrations in the soil compared to the atmosphere. The surface GPPTs with conventional CH4 at the active location were not sensitive enough to derive meaningful first-order rate coefficients of CH4 oxidation. The more sensitive GPPT with 13C-CH4 resulted in a coefficient of 0.025 h-1, close to the value of 0.011 h-1 estimated from the corresponding concentration profile. Activities in the forefield on calcareous bedrock were substantially higher, with decreased CH4 concentrations in the soil at three out of five locations. Estimated first-order rate coefficients from GPPT and profile at one selected location were 0.6 h-1 and 1.3 h-1, respectively, one to two orders of magnitude higher than values from the siliceous forefield. Additional analysis by quantitative PCR revealed substantially lower numbers of pmoA gene copies per g soil at the active location in the siliceous forefield compared to the selected location in the calcareous forefield. Reasons for these differences in activity and abundance are still unknown and will be subject of further investigations in an upcoming field campaign. The GPPT in combination with δ13C analysis of extracted CO2 appeared to be a functioning approach to sensitively quantify low CH4 turnover.

The rotational excitation of HF by H

NASA Astrophysics Data System (ADS)

Desrousseaux, Benjamin; Lique, François

2018-06-01

The HF molecule is a key tracer of molecular hydrogen in diffuse interstellar medium (ISM). Accurate modelling of the HF abundance in such media requires one to model its excitation by both radiation and collisions. In diffuse ISM, the dominant collisional partners are atomic and molecular hydrogen. We report quantum time-independent calculations of collisional cross-sections and rate coefficients for the rotational excitation of HF by H. The reactive hydrogen exchange channels are taken into account in the scattering calculations. For the first time, HF-H rate coefficients are provided for temperature ranging from 10 to 500 K. The strongest collision-induced rotational HF transitions are those with Δj = 1, and the order of magnitude of the new HF-H rate coefficients is similar to that of the HF-H2 ones previously computed. As a first application, we simulate the excitation of HF by both H and H2 in typical diffuse ISM. We show that, depending on the rotational transition, hydrogen atoms increase or decrease the simulated excitation temperatures compared to collisional excitation only due to H2 molecules. Such results suggest that the new HF-H collisional data have to be used for properly modelling the abundance of HF in diffuse ISM.

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

NASA Technical Reports Server (NTRS)

Georgevic, R. M.

1973-01-01

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

Thermal Rate Coefficients for the Astrochemical Process C + CH+ → C2+ + H by Ring Polymer Molecular Dynamics.

PubMed

Rampino, Sergio; Suleimanov, Yury V

2016-12-22

Thermal rate coefficients for the astrochemical reaction C + CH + → C 2 + + H were computed in the temperature range 20-300 K by using novel rate theory based on ring polymer molecular dynamics (RPMD) on a recently published bond-order based potential energy surface and compared with previous Langevin capture model (LCM) and quasi-classical trajectory (QCT) calculations. Results show that there is a significant discrepancy between the RPMD rate coefficients and the previous theoretical results that can lead to overestimation of the rate coefficients for the title reaction by several orders of magnitude at very low temperatures. We argue that this can be attributed to a very challenging energy profile along the reaction coordinate for the title reaction, not taken into account in extenso by either the LCM or QCT approximation. In the absence of any rigorous quantum mechanical or experimental results, the computed RPMD rate coefficients represent state-of-the-art estimates to be included in astrochemical databases and kinetic networks.

Transport, biodegradation and isotopic fractionation of chlorinated ethenes: modeling and parameter estimation methods

NASA Astrophysics Data System (ADS)

Béranger, Sandra C.; Sleep, Brent E.; Lollar, Barbara Sherwood; Monteagudo, Fernando Perez

2005-01-01

An analytical, one-dimensional, multi-species, reactive transport model for simulating the concentrations and isotopic signatures of tetrachloroethylene (PCE) and its daughter products was developed. The simulation model was coupled to a genetic algorithm (GA) combined with a gradient-based (GB) method to estimate the first order decay coefficients and enrichment factors. In testing with synthetic data, the hybrid GA-GB method reduced the computational requirements for parameter estimation by a factor as great as 300. The isotopic signature profiles were observed to be more sensitive than the concentration profiles to estimates of both the first order decay constants and enrichment factors. Including isotopic data for parameter estimation significantly increased the GA convergence rate and slightly improved the accuracy of estimation of first order decay constants.

Combined techniques for characterising pasta structure reveals how the gluten network slows enzymic digestion rate.

PubMed

Zou, Wei; Sissons, Mike; Gidley, Michael J; Gilbert, Robert G; Warren, Frederick J

2015-12-01

The aim of the present study is to characterise the influence of gluten structure on the kinetics of starch hydrolysis in pasta. Spaghetti and powdered pasta were prepared from three different cultivars of durum semolina, and starch was also purified from each cultivar. Digestion kinetic parameters were obtained through logarithm-of-slope analysis, allowing identification of sequential digestion steps. Purified starch and semolina were digested following a single first-order rate constant, while pasta and powdered pasta followed two sequential first-order rate constants. Rate coefficients were altered by pepsin hydrolysis. Confocal microscopy revealed that, following cooking, starch granules were completely swollen for starch, semolina and pasta powder samples. In pasta, they were completely swollen in the external regions, partially swollen in the intermediate region and almost intact in the pasta strand centre. Gluten entrapment accounts for sequential kinetic steps in starch digestion of pasta; the compact microstructure of pasta also reduces digestion rates. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

USGS Publications Warehouse

Anders, R.; Chrysikopoulos, C.V.

2006-01-01

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

Hydrogen-bond formation between isoindolo[2,1-a]indol-6-one and aliphatic alcohols in n-hexane.

PubMed

Demeter, Attila; Bérces, Tibor

2005-03-17

The spectroscopic, kinetic, and equilibrium properties of isoindolo[2,1-a]indol-6-one (I) were studied in n-hexane in the presence and absence of alcohols (X). Hydrogen-bonded-complex formation was found to occur between the alcohol and the ground state as well as the excited state of the I molecule. The spectra of I and its singly complexed derivative (IX) are similar; however, that of IX is red shifted. The extent of red shift increases with the hydrogen-bonding ability of the alcohol. Equilibrium constant measurements were made to determine the hydrogen-bond basicity (beta(2)(H)) for I and the singlet excited (1)I. The beta(2)(H) value for (1)I is found to be about twice that of the ground-state I. Time-resolved fluorescence decay measurements indicate that the reaction of singlet excited I with fluorinated alcohols is diffusion controlled, while the rate of complexation with nonfluorinated (weaker hydrogen bonding) aliphatic alcohols depends on the Gibbs energy change in the complexation reaction. The quantitative correlation between the rate coefficient of complexation of (1)I with alcohols and the Gibbs energy change in the complexation process allowed us to estimate the rate coefficient for the complexation of the ground-state I with alcohols. The formation of the singlet excited hydrogen-bonded complex is irreversible; (1)IX disappears in a first order and an alcohol induced second order reaction. The first order decay is predominantly due to internal conversion to the ground state, the rate of which depends on the ionization energy of the complexing alcohol.

Comparison of fate profiles of PAHs in soil, sediments and mangrove leaves after oil spills by QSAR and QSPR.

PubMed

Tansel, Berrin; Lee, Mengshan; Tansel, Derya Z

2013-08-15

First order removal rates for 15 polyaromatic hydrocarbons (PAHs) in soil, sediments and mangrove leaves were compared in relation to the parameters used in fate transport analyses (i.e., octanol-water partition coefficient, organic carbon-water partition coefficient, solubility, diffusivity in water, HOMO-LUMO gap, molecular size, molecular aspect ratio). The quantitative structure activity relationships (QSAR) and quantitative structure property relationships (QSPR) showed that the rate of disappearance of PAHs is correlated with their diffusivities in water as well as molecular volumes in different media. Strong correlations for the rate of disappearance of PAHs in sediments could not be obtained in relation to most of the parameters evaluated. The analyses showed that the QSAR and QSPR correlations developed for removal rates of PAHs in soils would not be adequate for sediments and plant tissues. Copyright © 2013 Elsevier Ltd. All rights reserved.

The thermo magnetic instability in hot viscose plasmas

NASA Astrophysics Data System (ADS)

Haghani, A.; Khosravi, A.; Khesali, A.

2017-10-01

Magnetic Rotational Instability (MRI) can not performed well in accretion disks with strong magnetic field. Studies have indicated a new type of instability called thermomagnetic instability (TMI) in systems where Nernst coefficient and gradient temperature were considered. Nernst coefficient would appear if Boltzman equation could be expanded through ω_{Be} (cyclotron frequency). However, the growth rate of this instability was two magnitude orders below MRI growth (Ωk), which could not act the same as MRI. Therefor, a higher growth rate of unstable modes was needed. In this paper, rotating viscid hot plasma with strong magnetic filed was studied. Firstly, a constant alpha viscosity was studied and then a temperature sensitive viscosity. The results showed that the temperature sensitive viscosity would be able to increase the growth rate of TMI modes significantly, hence capable of acting similar to MRI.

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

NASA Technical Reports Server (NTRS)

Bogan, Denis

1999-01-01

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

Optimization of the lithium/thionyl chloride battery

NASA Technical Reports Server (NTRS)

White, Ralph E.

1989-01-01

A 1-D math model for the lithium/thionyl chloride primary cell is used in conjunction with a parameter estimation technique in order to estimate the electro-kinetic parameters of this electrochemical system. The electro-kinetic parameters include the anodic transfer coefficient and exchange current density of the lithium oxidation, alpha sub a,1 and i sub o,i,ref, the cathodic transfer coefficient and the effective exchange current density of the thionyl chloride reduction, alpha sub c,2 and a sup o i sub o,2,ref, and a morphology parameter, Xi. The parameter estimation is performed on simulated data first in order to gain confidence in the method. Data, reported in the literature, for a high rate discharge of an experimental lithium/thionyl chloride cell is used for an analysis.

First-Order System Least-Squares for Second-Order Elliptic Problems with Discontinuous Coefficients

NASA Technical Reports Server (NTRS)

Manteuffel, Thomas A.; McCormick, Stephen F.; Starke, Gerhard

1996-01-01

The first-order system least-squares methodology represents an alternative to standard mixed finite element methods. Among its advantages is the fact that the finite element spaces approximating the pressure and flux variables are not restricted by the inf-sup condition and that the least-squares functional itself serves as an appropriate error measure. This paper studies the first-order system least-squares approach for scalar second-order elliptic boundary value problems with discontinuous coefficients. Ellipticity of an appropriately scaled least-squares bilinear form of the size of the jumps in the coefficients leading to adequate finite element approximation results. The occurrence of singularities at interface corners and cross-points is discussed. and a weighted least-squares functional is introduced to handle such cases. Numerical experiments are presented for two test problems to illustrate the performance of this approach.

Analysis of eccentric annular incompressible seals. II - Effects of eccentricity on rotordynamic coefficients

NASA Technical Reports Server (NTRS)

Nelson, C. C.; Nguyen, D. T.

1987-01-01

A new analysis procedure has been presented which solves for the flow variables of an annular pressure seal in which the rotor has a large static displacement (eccentricity) from the centered position. The present paper incorporates the solutions to investigate the effect of eccentricity on the rotordynamic coefficients. The analysis begins with a set of governing equations based on a turbulent bulk-flow model and Moody's friction factor equation. Perturbations of the flow variables yields a set of zeroth- and first-order equations. After integration of the zeroth-order equations, the resulting zeroth-order flow variables are used as input in the solution of the first-order equations. Further integration of the first order pressures yields the eccentric rotordynamic coefficients. The results from this procedure compare well with available experimental and theoretical data, with accuracy just as good or slightly better than the predictions based on a finite-element model.

Temperature-dependent rate coefficients and theoretical calculations for the OH+Cl2O reaction.

PubMed

Riffault, Véronique; Clark, Jared M; Hansen, Jaron C; Ravishankara, A R; Burkholder, James B

2010-12-17

Rate coefficients k for the OH+Cl(2)O reaction are measured as a function of temperature (230-370 K) and pressure by using pulsed laser photolysis to produce OH radicals and laser-induced fluorescence to monitor their loss under pseudo-first-order conditions in OH. The reaction rate coefficient is found to be independent of pressure, within the precision of our measurements at 30-100 Torr (He) and 100 Torr (N(2)). The rate coefficients obtained at 100 Torr (He) showed a negative temperature dependence with a weak non-Arrhenius behavior. A room-temperature rate coefficient of k(1)(297 K)=(7.5±1.1)×10(-12) cm(3) molecule(-1) s(-1) is obtained, where the quoted uncertainties are 2σ and include estimated systematic errors. Theoretical methods are used to examine OH···OCl(2) and OH···ClOCl adduct formation and the potential-energy surfaces leading to the HOCl+ClO (1a) and Cl+HOOCl (1d) products in reaction (1) at the hybrid density functional UMPW1K/6-311++G(2df,p) level of theory. The OH···OCl(2) and OH···ClOCl adducts are found to have binding energies of about 0.2 kcal mol(-1). The reaction is calculated to proceed through weak pre-reactive complexes. Transition-state energies for channels (1a) and (1d) are calculated to be about 1.4 and about 3.3 kcal mol(-1) above the energy of the reactants. The results from the present study are compared with previously reported rate coefficients, and the interpretation of the possible non-Arrhenius behavior is discussed.

The analysis of harmonic generation coefficients in the ablative Rayleigh-Taylor instability

NASA Astrophysics Data System (ADS)

Lu, Yan; Fan, Zhengfeng; Lu, Xinpei; Ye, Wenhua; Zou, Changlin; Zhang, Ziyun; Zhang, Wen

2017-10-01

In this research, we use the numerical simulation method to investigate the generation coefficients of the first three harmonics and the zeroth harmonic in the Ablative Rayleigh-Taylor Instability. It is shown that the interface shifts to the low temperature side during the ablation process. In consideration of the third-order perturbation theory, the first three harmonic amplitudes of the weakly nonlinear regime are calculated and then the harmonic generation coefficients are obtained by curve fitting. The simulation results show that the harmonic generation coefficients changed with time and wavelength. Using the higher-order perturbation theory, we find that more and more harmonics are generated in the later weakly nonlinear stage, which is caused by the negative feedback of the later higher harmonics. Furthermore, extending the third-order theory to the fifth-order theory, we find that the second and the third harmonics coefficients linearly depend on the wavelength, while the feedback coefficients are almost constant. Further analysis also shows that when the fifth-order theory is considered, the normalized effective amplitudes of second and third harmonics can reach about 25%-40%, which are only 15%-25% in the frame of the previous third-order theory. Therefore, the third order perturbation theory is needed to be modified by the higher-order theory when ηL reaches about 20% of the perturbation wavelength.

Effect of graphite target power density on tribological properties of graphite-like carbon films

NASA Astrophysics Data System (ADS)

Dong, Dan; Jiang, Bailing; Li, Hongtao; Du, Yuzhou; Yang, Chao

2018-05-01

In order to improve the tribological performance, a series of graphite-like carbon (GLC) films with different graphite target power densities were prepared by magnetron sputtering. The valence bond and microstructure of films were characterized by AFM, TEM, XPS and Raman spectra. The variation of mechanical and tribological properties with graphite target power density was analyzed. The results showed that with the increase of graphite target power density, the deposition rate and the ratio of sp2 bond increased obviously. The hardness firstly increased and then decreased with the increase of graphite target power density, whilst the friction coefficient and the specific wear rate increased slightly after a decrease with the increasing graphite target power density. The friction coefficient and the specific wear rate were the lowest when the graphite target power density was 23.3 W/cm2.

Experimental and theoretical study of the gas phase reaction of ethynyl radical with methane (HCC+CH 4)

NASA Astrophysics Data System (ADS)

Ceursters, Benny; Thi Nguyen, Hue Minh; Peeters, Jozef; Tho Nguyen, Minh

2000-10-01

Absolute rate coefficients of the reaction of ethynyl radical with methane were measured for the first time at higher temperatures by a pulsed laser photolysis/chemiluminescence (PLP/CL) technique. Ethynyl radicals (HCC) radicals were generated pulsewise upon excimer laser photodissociation of acetylene at 193 nm and pseudo-first-order exponential decays of thermalized HCC were monitored in real-time by the CH( A2Δ → X2Π ) chemiluminescence produced by their reaction with O 2. The rate coefficients k(HCC+CH 4), over 295⩽T ( K)<800 , exhibit strong non-Arrhenius behaviour, being k(T)=1.39×10 -18T 2.34±0.40exp[(380±180) K/T] cm3 molecule-1 s-1. Calculations at the CCSD(T)/aug-cc-pvTZ level reveal that the direct H-abstraction yielding HCCH+CH 3 has the lowest energy barrier of about 10 kJ mol -1.

Fractional-order Fourier analysis for ultrashort pulse characterization.

PubMed

Brunel, Marc; Coetmellec, Sébastien; Lelek, Mickael; Louradour, Frédéric

2007-06-01

We report what we believe to be the first experimental demonstration of ultrashort pulse characterization using fractional-order Fourier analysis. The analysis is applied to the interpretation of spectral interferometry resolved in time (SPIRIT) traces [which are spectral phase interferometry for direct electric field reconstruction (SPIDER)-like interferograms]. First, the fractional-order Fourier transformation is shown to naturally allow the determination of the cubic spectral phase coefficient of pulses to be analyzed. A simultaneous determination of both cubic and quadratic spectral phase coefficients of the pulses using the fractional-order Fourier series expansion is further demonstrated. This latter technique consists of localizing relative maxima in a 2D cartography representing decomposition coefficients. It is further used to reconstruct or filter SPIRIT traces.

Oxidation kinetics of polycyclic aromatic hydrocarbons by permanganate.

PubMed

Forsey, Steven P; Thomson, Neil R; Barker, James F

2010-04-01

The reactivity of permanganate towards polycyclic aromatics hydrocarbons (PAHs) is well known but little kinetic information is available. This study investigated the oxidation kinetics of a selected group of coal tar creosote compounds and alkylbenzenes in water using permanganate, and the correlation between compound reactivity and physical/chemical properties. The oxidation of naphthalene, phenanthrene, chrysene, 1-methylnaphthalene, 2-methylnaphthalene, acenaphthene, fluorene, carbazole isopropylbenzene, ethylbenzene and methylbenzene closely followed pseudo first-order reaction kinetics. The oxidation of pyrene was initially very rapid and did not follow pseudo first-order kinetics at early times. Fluoranthene was only partially oxidized and the oxidation of anthracene was too fast to be captured. Biphenyl, dibenzofuran, benzene and tert-butylbenzene were non-reactive under the study conditions. The oxidation rate was shown to increase with increasing number of polycyclic rings because less energy is required to overcome the aromatic character of a polycyclic ring than is required for benzene. Thus the rate of oxidation increased in the series naphthalene

Salt effects on an ion-molecule reaction--hydroxide-catalyzed hydrolysis of benzocaine.

PubMed

Al-Maaieh, Ahmad; Flanagan, Douglas R

2006-03-01

This work investigates the effect of various salts on the rate of a reaction involving a neutral species (benzocaine alkaline hydrolysis). Benzocaine hydrolysis kinetics in NaOH solutions in the presence of different salts were studied at 25 degrees C. Benzocaine solubility in salt solutions was also determined. Solubility data were used to estimate salt effects on benzocaine activity coefficients, and pH was used to estimate salt effects on hydroxide activity coefficients. Salts either increased or decreased benzocaine solubility. For example, solubility increased with 1.0 M tetraethylammonium chloride (TEAC) approximately 3-fold, whereas solubility decreased approximately 35% with 0.33 M Na2SO4. Salt effects on hydrolysis rates were more complex and depended on the relative magnitudes of the salt effects on the activity coefficients of benzocaine, hydroxide ion, and the transition state. As a result, some salts increased the hydrolysis rate constant, whereas others decreased it. For example, the pseudo-first-order rate constant decreased approximately 45% (to 0.0584 h(-1)) with 1 M TEAC, whereas it increased approximately 8% (to 0.116 h(-1)) with 0.33 M Na2SO4. Different salt effects on degradation kinetics can be demonstrated for a neutral compound reacting with an ion. These salt effects depend on varying effects on activity coefficients of reacting and intermediate species.

Hyperfine excitation of linear molecules by para- and ortho-H{sub 2}: Application to the HCl–H{sub 2} system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lanza, Mathieu; Lique, François, E-mail: francois.lique@univ-lehavre.fr

The determination of hyperfine structure resolved excitation cross sections and rate coefficients due to H{sub 2} collisions is required to interpret astronomical spectra. In this paper, we present several theoretical approaches to compute these data. An almost exact recoupling approach and approximate sudden methods are presented. We apply these different approaches to the HCl–H{sub 2} collisional system in order to evaluate their respective accuracy. HCl–H{sub 2} hyperfine structure resolved cross sections and rate coefficients are then computed using recoupling and approximate sudden methods. As expected, the approximate sudden approaches are more accurate when the collision energy increases and the resultsmore » suggest that these approaches work better for para-H{sub 2} than for ortho-H{sub 2} colliding partner. For the first time, we present HCl–H{sub 2} hyperfine structure resolved rate coefficients, computed here for temperatures ranging from 5 to 300 K. The usual Δj{sub 1} = ΔF{sub 1} propensity rules are observed for the hyperfine transitions. The new rate coefficients will significantly help the interpretation of interstellar HCl emission lines observed with current and future telescopes. We expect that these new data will allow a better determination of the HCl abundance in the interstellar medium, that is crucial to understand the interstellar chlorine chemistry.« less

Technical Note: On the possibly missing mechanism of 15 μm emission in the mesosphere-lower thermosphere (MLT)

NASA Astrophysics Data System (ADS)

Sharma, R. D.

2015-02-01

Accurate knowledge of the rate as well as the mechanism of excitation of the bending mode of CO2 is necessary for reliable modeling of the mesosphere-lower thermosphere (MLT) region of the atmosphere. Assuming the excitation mechanism to be thermal collisions with atomic oxygen, the rate coefficient derived from the observed 15 μm emission by space-based experiments (kATM = 6.0 × 10-12 cm3s-1) differs from the laboratory measurements (kLAB =(1.5-2.5) × 10-12 cm3s-1) by a factor of 2-4. The general circulation models (GCMs) of Earth, Venus, and Mars have chosen to use a median value of kGCM = 3.0 × 10-12 cm3s-1 for this rate coefficient. As a first step to resolve the discrepancies between the three rate coefficients, we attempt to find the source of disagreement between the first two. It is pointed out that a large magnitude of the difference between these two rate coefficients (kx ≡ kATM - kLAB) requires that the unknown mechanism involve one or both major species: N2, O. Because of the rapidly decreasing volume mixing ratio (VMR) of CO2 with altitude, the exciting partner must be long lived and transfer energy efficiently. It is shown that thermal collisions with N2, mediated by a near-resonant rotation-to-vibration (RV) energy transfer process, while giving a reasonable rate coefficient kVR for de-excitation of the bending mode of CO2, lead to vibration-to-translation kVT rate coefficients in the terrestrial atmosphere that are 1-2 orders of magnitude larger than those observed in the laboratory. It is pointed out that the efficient near-resonant rotation-to-vibration (RV) energy transfer process has a chance of being the unknown mechanism if very high rotational levels of N2, produced by the reaction of N and NO and other collisional processes, have a super-thermal population and are long lived. Since atomic oxygen plays a critical role in the mechanisms discussed here, it suggested that its density be determined experimentally by ground- and space-based Raman lidars proposed earlier.

On the connection coefficients and recurrence relations arising from expansions in series of Laguerre polynomials

NASA Astrophysics Data System (ADS)

Doha, E. H.

2003-05-01

A formula expressing the Laguerre coefficients of a general-order derivative of an infinitely differentiable function in terms of its original coefficients is proved, and a formula expressing explicitly the derivatives of Laguerre polynomials of any degree and for any order as a linear combination of suitable Laguerre polynomials is deduced. A formula for the Laguerre coefficients of the moments of one single Laguerre polynomial of certain degree is given. Formulae for the Laguerre coefficients of the moments of a general-order derivative of an infinitely differentiable function in terms of its Laguerre coefficients are also obtained. A simple approach in order to build and solve recursively for the connection coefficients between Jacobi-Laguerre and Hermite-Laguerre polynomials is described. An explicit formula for these coefficients between Jacobi and Laguerre polynomials is given, of which the ultra-spherical polynomials of the first and second kinds and Legendre polynomials are important special cases. An analytical formula for the connection coefficients between Hermite and Laguerre polynomials is also obtained.

Static and dynamic characteristics of parallel-grooved seals

NASA Technical Reports Server (NTRS)

Iwatsubo, Takuzo; Yang, Bo-Suk; Ibaraki, Ryuji

1987-01-01

Presented is an analytical method to determine static and dynamic characteristics of annular parallel-grooved seals. The governing equations were derived by using the turbulent lubrication theory based on the law of fluid friction. Linear zero- and first-order perturbation equations of the governing equations were developed, and these equations were analytically investigated to obtain the reaction force of the seals. An analysis is presented that calculates the leakage flow rate, the torque loss, and the rotordynamic coefficients for parallel-grooved seals. To demonstrate this analysis, we show the effect of changing number of stages, land and groove width, and inlet swirl on stability of the boiler feed water pump seals. Generally, as the number of stages increased or the grooves became wider, the leakage flow rate and rotor-dynamic coefficients decreased and the torque loss increased.

Bulk-Flow Analysis of Hybrid Thrust Bearings for Advanced Cryogenic Turbopumps

NASA Technical Reports Server (NTRS)

SanAndres, Luis

1998-01-01

A bulk-flow analysis and computer program for prediction of the static load performance and dynamic force coefficients of angled injection, orifice-compensated hydrostatic/hydrodynamic thrust bearings have been completed. The product of the research is an efficient computational tool for the design of high-speed thrust bearings for cryogenic fluid turbopumps. The study addresses the needs of a growing technology that requires of reliable fluid film bearings to provide the maximum operating life with optimum controllable rotordynamic characteristics at the lowest cost. The motion of a cryogenic fluid on the thin film lands of a thrust bearing is governed by a set of bulk-flow mass and momentum conservation and energy transport equations. Mass flow conservation and a simple model for momentum transport within the hydrostatic bearing recesses are also accounted for. The bulk-flow model includes flow turbulence with fluid inertia advection, Coriolis and centrifugal acceleration effects on the bearing recesses and film lands. The cryogenic fluid properties are obtained from realistic thermophysical equations of state. Turbulent bulk-flow shear parameters are based on Hirs' model with Moody's friction factor equations allowing a simple simulation for machined bearing surface roughness. A perturbation analysis leads to zeroth-order nonlinear equations governing the fluid flow for the thrust bearing operating at a static equilibrium position, and first-order linear equations describing the perturbed fluid flow for small amplitude shaft motions in the axial direction. Numerical solution to the zeroth-order flow field equations renders the bearing flow rate, thrust load, drag torque and power dissipation. Solution to the first-order equations determines the axial stiffness, damping and inertia force coefficients. The computational method uses well established algorithms and generic subprograms available from prior developments. The Fortran9O computer program hydrothrust runs on a Windows 95/NT personal computer. The program, help files and examples are licensed by Texas A&M University Technology License Office. The study of the static and dynamic performance of two hydrostatic/hydrodynamic bearings demonstrates the importance of centrifugal and advection fluid inertia effects for operation at high rotational speeds. The first example considers a conceptual hydrostatic thrust bearing for an advanced liquid hydrogen turbopump operating at 170,000 rpm. The large axial stiffness and damping coefficients of the bearing should provide accurate control and axial positioning of the turbopump and also allow for unshrouded impellers, therefore increasing the overall pump efficiency. The second bearing uses a refrigerant R134a, and its application in oil-free air conditioning compressors is of great technological importance and commercial value. The computed predictions reveal that the LH2 bearing load capacity and flow rate increase with the recess pressure (i.e. increasing orifice diameters). The bearing axial stiffness has a maximum for a recess pressure rati of approx. 0.55. while the axial damping coefficient decreases as the recess pressure ratio increases. The computer results from three flow models are compared. These models are a) inertialess, b) fluid inertia at recess edges only, and c) full fluid inertia at both recess edges and film lands. The full inertia model shows the lowest flow rates, axial load capacity and stiffness coefficient but on the other hand renders the largest damping coefficients and inertia coefficients. The most important findings are related to the reduction of the outflow through the inner radius and the appearance of subambient pressures. The performance of the refrigerant hybrid thrust bearing is evaluated at two operating speeds and pressure drops. The computed results are presented in dimensionless form to evidence consistent trends in the bearing performance characteristics. As the applied axial load increases, the bearing film thickness and flow rate decrease while the recess pressure increases. The axial stiffness coefficient shows a maximum for a certain intermediate load while the damping coefficient steadily increases. The computed results evidence the paramount of centrifugal fluid inertia at low recess pressures (i.e. low loads), and where there is actually an inflow through the bearing inner diameter, accompanied by subambient pressures just downstream of the bearing recess edge. These results are solely due to centrifugal fluid inertia and advection transport effects. Recommendations include the extension of the computer program to handle flexure pivot tilting pad hybrid bearings and the ability to calculate moment coefficients for shaft angular misalignments.

Thermohydrodynamic Analysis of Cryogenic Liquid Turbulent Flow Fluid Film Bearings

NASA Technical Reports Server (NTRS)

SanAndres, Luis

1996-01-01

Computational programs developed for the thermal analysis of tilting and flexure-pad hybrid bearings, and the unsteady flow and transient response of a point mass rotor supported on fluid film bearings are described. The motion of a cryogenic liquid on the thin film annular region of a fluid film bearing is described by a set of mass and momentum conservation, and energy transport equations for the turbulent bulk-flow velocities and pressure, and accompanied by thermophysical state equations for evaluation of the fluid material properties. Zeroth-order equations describe the fluid flow field for a journal static equilibrium position, while first-order (linear) equations govern the fluid flow for small amplitude-journal center translational motions. Solution to the zeroth-order flow field equations provides the bearing flow rate, load capacity, drag torque and temperature rise. Solution to the first-order equations determines the rotordynamic force coefficients due to journal radial motions.

Linear force and moment equations for an annular smooth shaft seal perturbed both angularly and laterally

NASA Technical Reports Server (NTRS)

Fenwick, J.; Dijulio, R.; Ek, M. C.; Ehrgott, R.

1982-01-01

Coefficients are derived for equations expressing the lateral force and pitching moments associated with both planar translation and angular perturbations from a nominally centered rotating shaft with respect to a stationary seal. The coefficients for the lowest order and first derivative terms emerge as being significant and are of approximately the same order of magnitude as the fundamental coefficients derived by means of Black's equations. Second derivative, shear perturbation, and entrance coefficient variation effects are adjudged to be small.

Estimation of methane emission rate changes using age-defined waste in a landfill site.

PubMed

Ishii, Kazuei; Furuichi, Toru

2013-09-01

Long term methane emissions from landfill sites are often predicted by first-order decay (FOD) models, in which the default coefficients of the methane generation potential and the methane generation rate given by the Intergovernmental Panel on Climate Change (IPCC) are usually used. However, previous studies have demonstrated the large uncertainty in these coefficients because they are derived from a calibration procedure under ideal steady-state conditions, not actual landfill site conditions. In this study, the coefficients in the FOD model were estimated by a new approach to predict more precise long term methane generation by considering region-specific conditions. In the new approach, age-defined waste samples, which had been under the actual landfill site conditions, were collected in Hokkaido, Japan (in cold region), and the time series data on the age-defined waste sample's methane generation potential was used to estimate the coefficients in the FOD model. The degradation coefficients were 0.0501/y and 0.0621/y for paper and food waste, and the methane generation potentials were 214.4 mL/g-wet waste and 126.7 mL/g-wet waste for paper and food waste, respectively. These coefficients were compared with the default coefficients given by the IPCC. Although the degradation coefficient for food waste was smaller than the default value, the other coefficients were within the range of the default coefficients. With these new coefficients to calculate methane generation, the long term methane emissions from the landfill site was estimated at 1.35×10(4)m(3)-CH(4), which corresponds to approximately 2.53% of the total carbon dioxide emissions in the city (5.34×10(5)t-CO(2)/y). Copyright © 2013 Elsevier Ltd. All rights reserved.

Bayesian dynamic modeling of time series of dengue disease case counts.

PubMed

Martínez-Bello, Daniel Adyro; López-Quílez, Antonio; Torres-Prieto, Alexander

2017-07-01

The aim of this study is to model the association between weekly time series of dengue case counts and meteorological variables, in a high-incidence city of Colombia, applying Bayesian hierarchical dynamic generalized linear models over the period January 2008 to August 2015. Additionally, we evaluate the model's short-term performance for predicting dengue cases. The methodology shows dynamic Poisson log link models including constant or time-varying coefficients for the meteorological variables. Calendar effects were modeled using constant or first- or second-order random walk time-varying coefficients. The meteorological variables were modeled using constant coefficients and first-order random walk time-varying coefficients. We applied Markov Chain Monte Carlo simulations for parameter estimation, and deviance information criterion statistic (DIC) for model selection. We assessed the short-term predictive performance of the selected final model, at several time points within the study period using the mean absolute percentage error. The results showed the best model including first-order random walk time-varying coefficients for calendar trend and first-order random walk time-varying coefficients for the meteorological variables. Besides the computational challenges, interpreting the results implies a complete analysis of the time series of dengue with respect to the parameter estimates of the meteorological effects. We found small values of the mean absolute percentage errors at one or two weeks out-of-sample predictions for most prediction points, associated with low volatility periods in the dengue counts. We discuss the advantages and limitations of the dynamic Poisson models for studying the association between time series of dengue disease and meteorological variables. The key conclusion of the study is that dynamic Poisson models account for the dynamic nature of the variables involved in the modeling of time series of dengue disease, producing useful models for decision-making in public health.

COMPARISON OF MICROBIAL TRANSFORMATION RATE COEFFICIENTS OF XENOBIOTIC CHEMICALS BETWEEN FIELD-COLLECTED AND LABORATORY MICROCOSM MICROBIOTA

EPA Science Inventory

Two second-order transformation rate coefficients--kb, based on total plate counts, and kA, based on periphyton-colonized surface areas--were used to compare xenobiotic chemical transformation by laboratory-developed (microcosm) and by field-collected microbiota. Similarity of tr...

Photolysis Rate Coefficient Calculations in Support of SOLVE Campaign

NASA Technical Reports Server (NTRS)

Lloyd, Steven A.; Swartz, William H.

2001-01-01

The objectives for this SOLVE project were 3-fold. First, we sought to calculate a complete set of photolysis rate coefficients (j-values) for the campaign along the ER-2 and DC-8 flight tracks. En route to this goal, it would be necessary to develop a comprehensive set of input geophysical conditions (e.g., ozone profiles), derived from various climatological, aircraft, and remotely sensed datasets, in order to model the radiative transfer of the atmosphere accurately. These j-values would then need validation by comparison with flux-derived j-value measurements. The second objective was to analyze chemistry along back trajectories using the NASA/Goddard chemistry trajectory model initialized with measurements of trace atmospheric constituents. This modeling effort would provide insight into the completeness of current measurements and the chemistry of Arctic wintertime ozone loss. Finally, we sought to coordinate stellar occultation measurements of ozone (and thus ozone loss) during SOLVE using the MSX/UVISI satellite instrument. Such measurements would determine ozone loss during the Arctic polar night and represent the first significant science application of space-based stellar occultation in the Earth's atmosphere.

Lepton asymmetry rate from quantum field theory: NLO in the hierarchical limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bödeker, D.; Sangel, M., E-mail: bodeker@physik.uni-bielefeld.de, E-mail: msangel@physik.uni-bielefeld.de

2017-06-01

The rates for generating a matter-antimatter asymmetry in extensions of the Standard Model (SM) containing right-handed neutrinos are the most interesting and least trivial co\\-efficients in the rate equations for baryogenesis through thermal leptogenesis. We obtain a relation of these rates to finite-temperature real-time correlation functions, similar to the Kubo formulas for transport coefficients. Then we consider the case of hierarchical masses for the sterile neutrinos. At leading order in their Yukawa couplings we find a simple master formula which relates the rates to a single finite temperature three-point spectral function. It is valid to all orders in g ,more » where g denotes a SM gauge or quark Yukawa coupling. We use it to compute the rate for generating a matter-antimatter asymmetry at next-to-leading order in g in the non-relativistic regime. The corrections are of order g {sup 2}, and they amount to 4% or less.« less

Microbial Transformation of Esters of Chlorinated Carboxylic Acids

PubMed Central

Paris, D. F.; Wolfe, N. L.; Steen, W. C.

1984-01-01

Two groups of compounds were selected for microbial transformation studies. In the first group were carboxylic acid esters having a fixed aromatic moiety and an increasing length of the alkyl component. Ethyl esters of chlorine-substituted carboxylic acids were in the second group. Microorganisms from environmental waters and a pure culture of Pseudomonas putida U were used. The bacterial populations were monitored by plate counts, and disappearance of the parent compound was followed by gas-liquid chromatography as a function of time. The products of microbial hydrolysis were the respective carboxylic acids. Octanol-water partition coefficients (Kow) for the compounds were measured. These values spanned three orders of magnitude, whereas microbial transformation rate constants (kb) varied only 50-fold. The microbial rate constants of the carboxylic acid esters with a fixed aromatic moiety increased with an increasing length of alkyl substituents. The regression coefficient for the linear relationships between log kb and log Kow was high for group 1 compounds, indicating that these parameters correlated well. The regression coefficient for the linear relationships for group 2 compounds, however, was low, indicating that these parameters correlated poorly. PMID:16346459

Collisional excitation of sulfur dioxide by molecular hydrogen in warm molecular clouds

NASA Astrophysics Data System (ADS)

Balança, Christian; Spielfiedel, Annie; Feautrier, Nicole

2016-08-01

Interpretation of SO2 line emission in warm environments requires a detailed knowledge of collisional rate coefficients for a wide range of levels and temperatures. Using an accurate theoretical interaction potential for SO2-H2, rate coefficients for collisions of SO2 with para and ortho-H2 for the 31 first SO2, rotational levels are calculated for temperatures up to 500 K using the coupled states (CS) approximation. From a comparison with previously published close-coupling (CC) results, it was shown that the two sets of data agree within 20-30 per cent for both para- and ortho-H2 collisions. As previously found within the CC approach, the CS rate coefficients with ortho and para-H2 differ by a factor of 2 in average, the largest being mainly the rates for collisions with ortho-H2. For higher levels and temperatures, rate constants were computed within the infinite order sudden (IOS) approximation. Rate coefficients were obtained for the lowest 410 rotational levels of SO2 in the 100-1000 K temperature range. A comparison at 30, 100 and 300 K of the IOS data with the corresponding para-H2 CS results indicates that the IOS approximation systematically underestimates the CS results by a factor up to 2 at the lowest temperatures. As expected, IOS and CS rates are in a better agreement at higher temperatures. Considering that the IOS theory was developed for collisions with para-H2, this approach cannot describe with the same accuracy collisions with ortho-H2. So, our IOS data may be considered as quite reliable for collisions with para-H2 and less accurate for collisions with ortho-H2.

On the construction of recurrence relations for the expansion and connection coefficients in series of Jacobi polynomials

NASA Astrophysics Data System (ADS)

Doha, E. H.

2004-01-01

Formulae expressing explicitly the Jacobi coefficients of a general-order derivative (integral) of an infinitely differentiable function in terms of its original expansion coefficients, and formulae for the derivatives (integrals) of Jacobi polynomials in terms of Jacobi polynomials themselves are stated. A formula for the Jacobi coefficients of the moments of one single Jacobi polynomial of certain degree is proved. Another formula for the Jacobi coefficients of the moments of a general-order derivative of an infinitely differentiable function in terms of its original expanded coefficients is also given. A simple approach in order to construct and solve recursively for the connection coefficients between Jacobi-Jacobi polynomials is described. Explicit formulae for these coefficients between ultraspherical and Jacobi polynomials are deduced, of which the Chebyshev polynomials of the first and second kinds and Legendre polynomials are important special cases. Two analytical formulae for the connection coefficients between Laguerre-Jacobi and Hermite-Jacobi are developed.

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

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

Modelling thermal radiation from one-meter diameter methane pool fires

NASA Astrophysics Data System (ADS)

Consalvi, J. L.; Demarco, R.

2012-06-01

The first objective of this article is to implement a comprehensive radiation model in order to predict the radiant fractions and radiative fluxes on remote surfaces in large-scale methane pool fires. The second aim is to quantify the importance of Turbulence-Radiation Interactions (TRIs) in such buoyant flames. The fire-induced flow is modelled by using a buoyancy-modified k-ɛ model and the Steady Laminar Flamelet (SLF) model coupled with a presumed probability density function (pdf) approach. Spectral radiation is modelled by using the Full-Spectrum Correlated-k (FSCK) method. TRIs are taken into account by considering the Optically-Thin Fluctuation Approximation (OTFA). The emission term and the mean absorption coefficient are closed by using a presumed pdf of the mixture fraction, scalar dissipation rate and enthalpy defect. Two 1m-diameter fires with Heat Release Rates (HRR) of 49 kW and 162 kW were simulated. Predicted radiant fractions and radiative heat fluxes are found in reasonable agreement with experimental data. The importance of TRIs is evidenced, computed radiant fractions and radiative heat fluxes being considerably higher than those obtained from calculations based on mean properties. Finally, model results show that the complete absorption coefficient-Planck function correlation should be considered in order to properly take into account the influence of TRIs on the emission term, whereas the absorption coefficient self-correlation in the absorption term reduces significantly the radiant fractions.

Nonautonomous solitons for an extended forced Korteweg-de Vries equation with variable coefficients in the fluid or plasma

NASA Astrophysics Data System (ADS)

Wang, Yong-Yan; Su, Chuan-Qi; Liu, Xue-Qing; Li, Jian-Guang

2018-07-01

Under investigation in this paper is an extended forced Korteweg-de Vries equation with variable coefficients in the fluid or plasma. Lax pair, bilinear forms, and bilinear Bäcklund transformations are derived. Based on the bilinear forms, the first-, second-, and third-order nonautonomous soliton solutions are derived. Propagation and interaction of the nonautonomous solitons are investigated and influence of the variable coefficients is also discussed: Amplitude of the first-order nonautonomous soliton is determined by the spectral parameter and perturbed factor; there exist two kinds of the solitons, namely the elevation and depression solitons, depending on the sign of the spectral parameter; the background where the nonautonomous soliton exists is influenced by the perturbed factor and external force coefficient; breather solutions can be constructed under the conjugate condition, and period of the breather is related to the dispersive and nonuniform coefficients.

Integrate-and-fire neurons driven by asymmetric dichotomous noise.

PubMed

Droste, Felix; Lindner, Benjamin

2014-12-01

We consider a general integrate-and-fire (IF) neuron driven by asymmetric dichotomous noise. In contrast to the Gaussian white noise usually used in the so-called diffusion approximation, this noise is colored, i.e., it exhibits temporal correlations. We give an analytical expression for the stationary voltage distribution of a neuron receiving such noise and derive recursive relations for the moments of the first passage time density, which allow us to calculate the firing rate and the coefficient of variation of interspike intervals. We study how correlations in the input affect the rate and regularity of firing under variation of the model's parameters for leaky and quadratic IF neurons. Further, we consider the limit of small correlation times and find lowest order corrections to the first passage time moments to be proportional to the square root of the correlation time. We show analytically that to this lowest order, correlations always lead to a decrease in firing rate for a leaky IF neuron. All theoretical expressions are compared to simulations of leaky and quadratic IF neurons.

The Measurement of Sulfur Oxidation Products and Their Role in Homogeneous Nucleation

NASA Technical Reports Server (NTRS)

Eisele, F. L.

1997-01-01

The loss rate of H2SO4 vapor onto submicron particles was measured for three different particle substrates. The experimental technique involved direct flow tube measurements of H2SO4 decay rates onto a polydisperse aerosol using chemical ionization mass spectroscopic detection. The aerosols of this study were partially hydrated crystalline salts with diameters in the size range of 20 to 400 nm. The mass accommodation coefficients, a, were calculated from the first-order rate constants for H2SO4 loss to be 0.73 + 0.21 and 0.79 + 0.23 for loss onto (NH4)2SO4 and NaCl, respectively. Measurements of the loss rate of H2SO4 onto a NaCl aerosol coated with stearic acid resulted in lower mass accommodation coefficients with values of 0.31 and 0.19 for aerosol with high and low stearic acid coverage, respectively. The observed decrease in a on an aerosol with a hydrocarbon coating suggests that aerosol composition is a key factor in H2SO4 adsorption on to a particle surface.

Anaerobic co-digestion of commercial food waste and dairy manure: Characterizing biochemical parameters and synergistic effects.

PubMed

Ebner, Jacqueline H; Labatut, Rodrigo A; Lodge, Jeffrey S; Williamson, Anahita A; Trabold, Thomas A

2016-06-01

Anaerobic digestion of commercial food waste is a promising alternative to landfilling commercial food waste. This study characterized 11 types of commercial food wastes and 12 co-digestion blends. Bio-methane potential, biodegradable fraction, and apparent first-order hydrolysis rate coefficients were reported based upon biochemical methane potential (BMP) assays. Food waste bio-methane potentials ranged from 165 to 496 mL CH4/g VS. Substrates high in lipids or readily degradable carbohydrates showed the highest methane production. Average bio-methane potential observed for co-digested substrates was -5% to +20% that of the bio-methane potential of the individual substrates weighted by VS content. Apparent hydrolysis rate coefficients ranged from 0.19d(-1) to 0.65d(-1). Co-digested substrates showed an accelerated apparent hydrolysis rate relative to the weighted average of individual substrate rates. These results provide a database of key bio-digestion parameters to advance modeling and utilization of commercial food waste in anaerobic digestion. Copyright © 2016 Elsevier Ltd. All rights reserved.

Electro-Optic Coefficients of Guest-Host Poled Polymers Containing Chromophores with Large First Hyperpolarizabilities: A Test of the Two-State, Oriented-Gas Model

NASA Technical Reports Server (NTRS)

Skindhoj, J.; Bourhill, G.; Gilmour, S.; Tiemann, B.; Mansour, K.; Perry, K.; Heng, L-T.; Marder, S.; Perry, J.

1994-01-01

the electro-optic r33, coefficients of poled poly(methylmethacrylate) films containing dyes with first hyperpolarizabilities that span nearly two orders of magnitude have been determined at 820 and 1300 nm by modulated ellipsometry.

[Correlation coefficient-based classification method of hydrological dependence variability: With auto-regression model as example].

PubMed

Zhao, Yu Xi; Xie, Ping; Sang, Yan Fang; Wu, Zi Yi

2018-04-01

Hydrological process evaluation is temporal dependent. Hydrological time series including dependence components do not meet the data consistency assumption for hydrological computation. Both of those factors cause great difficulty for water researches. Given the existence of hydrological dependence variability, we proposed a correlationcoefficient-based method for significance evaluation of hydrological dependence based on auto-regression model. By calculating the correlation coefficient between the original series and its dependence component and selecting reasonable thresholds of correlation coefficient, this method divided significance degree of dependence into no variability, weak variability, mid variability, strong variability, and drastic variability. By deducing the relationship between correlation coefficient and auto-correlation coefficient in each order of series, we found that the correlation coefficient was mainly determined by the magnitude of auto-correlation coefficient from the 1 order to p order, which clarified the theoretical basis of this method. With the first-order and second-order auto-regression models as examples, the reasonability of the deduced formula was verified through Monte-Carlo experiments to classify the relationship between correlation coefficient and auto-correlation coefficient. This method was used to analyze three observed hydrological time series. The results indicated the coexistence of stochastic and dependence characteristics in hydrological process.

Rotordynamic coefficients for labyrinth seals calculated by means of a finite difference technique

NASA Technical Reports Server (NTRS)

Nordmann, R.; Weiser, P.

1989-01-01

The compressible, turbulent, time dependent and three dimensional flow in a labyrinth seal can be described by the Navier-Stokes equations in conjunction with a turbulence model. Additionally, equations for mass and energy conservation and an equation of state are required. To solve these equations, a perturbation analysis is performed yielding zeroth order equations for centric shaft position and first order equations describing the flow field for small motions around the seal center. For numerical solution a finite difference method is applied to the zeroth and first order equations resulting in leakage and dynamic seal coefficients respectively.

Assessment of natural attenuation of aromatic hydrocarbons in groundwater near a former manufactured-gas plant, South Carolina, USA

USGS Publications Warehouse

Landmeyer, J.E.; Chapelle, F.H.; Petkewich, M.D.; Bradley, P.M.

1998-01-01

Shallow, anaerobic groundwater near a former manufactured-gas plant (MGP) in Charleston, South Carolina, USA, contains mono- and polycyclic aromatic hydrocarbons (MAHs and PAHs, respectively). Between 1994 and 1997, a combination of field, laboratory, and numerical-flow and transport-model investigations were made to assess natural attenuation processes affecting MAH and PAH distributions. This assessment included determination of adsorption coefficients (K(ad)) and first-order biodegradation rate constants (K(bio)) using aquifer material from the MGP site and adjacent properties. Naphthalene adsorption (K(ad) = 1.35 x 10-7 m3/mg) to aquifer sediments was higher than toluene adsorption (K(ad) = 9.34 x 10-10 m3/mg), suggesting preferential toluene transport relative to naphthalene. However, toluene and benzene distributions measured in January 1994 were smaller than the naphthalene distribution. This scenario can be explained, in part, by the differences between biodegradation rates of the compounds. Aerobic first-order rate constants of 14C-toluene, 14C-benzene, and 14C-naphthalene degradation were similar (-0.84, -0.03, and 0.88 day-1, respectively), but anaerobic rate constants were higher for toluene and benzene (-0.002 and -0.00014 day-1, respectively) than for naphthalene (-0.000046 day-1). Both areal and cross-sectional numerical simulations were used to test the hypothesis suggested by these rate differences that MAH compounds will be contained relative to PAHs. Predictive simulations indicated that the distributions of toluene and benzene reach steady-state conditions before groundwater flow lines discharge to an adjacent surface-water body, but do discharge low concentrations of naphthalene. Numerical predictions were 'audited' by measuring concentrations of naphthalene, toluene, and benzene at the site in early 1997. Measured naphthalene and toluene concentrations were substantially reduced and the areal extent of contamination smaller than was both observed in January 1994 and predicted for 1997. Measured 1997 benzene concentrations and distribution were shown to be relatively unchanged from those measured in 1994, and similar to predictions for 1997.The natural attenuation processes affecting mono- and polycyclic aromatic hydrocarbons (MAHs and PAHs, respectively) distributions in groundwater near a former manufactured-gas plant in South Carolina, USA was evaluated. This assessment included determination of adsorption coefficients and first-order biodegradation rate constants. Detailed results obtained in the study are presented.

Breathers and rogue waves in a Heisenberg ferromagnetic spin chain or an alpha helical protein

NASA Astrophysics Data System (ADS)

Yang, Jin-Wei; Gao, Yi-Tian; Su, Chuan-Qi; Wang, Qi-Min; Lan, Zhong-Zhou

2017-07-01

In this paper, a fourth-order variable-coefficient nonlinear Schrödinger equation for a one-dimensional continuum anisotropic Heisenberg ferromagnetic spin chain or an alpha helical protein has been investigated. Breathers and rogue waves are constructed via the Darboux transformation and generalized Darboux transformation, respectively. Results of the breathers and rogue waves are presented: (1) The first- and second-order Akhmediev breathers and Kuznetsov-Ma solitons are presented with different values of variable coefficients which are related to the energy transfer or higher-order excitations and interactions in the helical protein, or related to the spin excitations resulting from the lowest order continuum approximation and octupole-dipole interaction in a Heisenberg ferromagnetic spin chain, and the nonlinear periodic breathers resulting from the Akhmediev breathers are studied as well; (2) For the first- and second-order rogue waves, we find that they can be split into many similar components when the variable coefficients are polynomial functions of time; (3) Rogue waves can also be split when the variable coefficients are hyperbolic secant functions of time, but the profile of each component in such a case is different.

Escherichia coli inactivation kinetics in anaerobic digestion of dairy manure under moderate, mesophilic and thermophilic temperatures

PubMed Central

2011-01-01

Batch anaerobic digestion experiments using dairy manure as feedstocks were performed at moderate (25°C), mesophilic (37°C), and thermophilic (52.5°C) temperatures to understand E. coli, an indicator organism for pathogens, inactivation in dairy manure. Incubation periods at 25, 37, and 52.5°C, were 61, 41, and 28 days respectively. Results were used to develop models for predicting E. coli inactivation and survival in anaerobic digestion. For modeling we used the decay of E. coli at each temperature to calculate the first-order inactivation rate coefficients, and these rates were used to formulate the time - temperature - E. coli survival relationships. We found the inactivation rate coefficient at 52.5°C was 17 and 15 times larger than the inactivation rate coefficients at 25 and 37°C, respectively. Decimal reduction times (D10; time to achieve one log removal) at 25, 37, and 52.5°C, were 9 -10, 7 - 8 days, and < 1 day, respectively. The Arrhenius correlation between inactivation rate coefficients and temperatures over the range 25 -52.5°C was developed to understand the impacts of temperature on E. coli inactivation rate. Using this correlation, the time - temperature - E. coli survival relationships were derived. Besides E. coli inactivation, impacts of temperature on biogas production, methane content, pH change, ORP, and solid reduction were also studied. At higher temperatures, biogas production and methane content was greater than that at low temperatures. While at thermophilic temperature pH was increased, at mesophilic and moderate temperatures pH were reduced over the incubation period. These results can be used to understand pathogen inactivation during anaerobic digestion of dairy manure, and impacts of temperatures on performance of anaerobic digesters treating dairy manure. PMID:21906374

Aerodynamic Heating Computations for Projectiles. Volume 1. In-Depth Heat Conduction Modifications to the ABRES Shape Change Code (BRLASCC)

DTIC Science & Technology

1984-06-01

preceding the corresponding pressure group of the surface thermochemistry deck as described below. The temperature entries within each section must be... pressure group the transfer coefficient values will be ordered. Within each transfer coefficient section, ablation rate entries need not he ordered in any...may not exceed 5 (and may be only I); the number of transfer coefficient values in each pressure group may not exceed 5 but may be only 1. If no

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

PubMed

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

2012-04-05

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

Conservation laws and rogue waves for a higher-order nonlinear Schrödinger equation with variable coefficients in the inhomogeneous fiber

NASA Astrophysics Data System (ADS)

Du, Zhong; Tian, Bo; Wu, Xiao-Yu; Liu, Lei; Sun, Yan

2017-07-01

Subpicosecond or femtosecond optical pulse propagation in the inhomogeneous fiber can be described by a higher-order nonlinear Schrödinger equation with variable coefficients, which is investigated in the paper. Via the Ablowitz-Kaup-Newell-Segur system and symbolic computation, the Lax pair and infinitely-many conservation laws are deduced. Based on the Lax pair and a modified Darboux transformation technique, the first- and second-order rogue wave solutions are constructed. Effects of the groupvelocity dispersion and third-order dispersion on the properties of the first- and second-order rouge waves are graphically presented and analyzed: The groupvelocity dispersion and third-order dispersion both affect the ranges and shapes of the first- and second-order rogue waves: The third-order dispersion can produce a skew angle of the first-order rogue wave and the skew angle rotates counterclockwise with the increase of the groupvelocity dispersion, when the groupvelocity dispersion and third-order dispersion are chosen as the constants; When the groupvelocity dispersion and third-order dispersion are taken as the functions of the propagation distance, the linear, X-shaped and parabolic trajectories of the rogue waves are obtained.

Surface Design and Engineering Toward Wear-Resistant, Self-Lubricating Diamond Films and Coatings

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1999-01-01

The tribological properties of chemical-vapor-deposited (CVD) diamond films vary with the environment, possessing a Jekyll-and-Hyde character. CVD diamond has low coefficient of friction and high wear resistance in air but high coefficient of friction and low wear resistance in vacuum. Improving the tribological functionality of materials (such as achieving low friction and good wear resistance) was an aim of this investigation. Three studies on the surface design, surface engineering, and tribology of CVD diamond have shown that its friction and wear are significantly reduced in ultrahigh vacuum. The main criteria for judging whether diamond films are an effective wear-resistant, self-lubricating material were coefficient of friction and wear rate, which must be less than 0.1 and on the order of 10(exp 6) cu mm/N(dot)m, respectively. In the first study the presence of a thin film (less than 1 micron thick) of amorphous, nondiamond carbon (hydrogenated carbon, also called diamondlike carbon or DLC) on CVD diamond greatly decreased the coefficient of friction and the wear rate. Therefore, a thin DLC film on CVD diamond can be an effective wear-resistant, lubricating coating in ultrahigh vacuum. In the second study the presence of an amorphous, nondiamond carbon surface layer formed on CVD diamond by ion implantation significantly reduced the coefficient of friction and the wear rate in ultrahigh vacuum. Therefore, such surface layers are acceptable for effective self-lubricating, wear-resistant applications of CVD diamond. In the third study CVD diamond in contact with cubic boron nitride exhibited low coefficient of friction in ultra high vacuum. Therefore, this materials combination can provide an effective self-lubricating, wear-resistant couple in ultrahigh vacuum.

The unusual electrochemical characteristics of a novel three-dimensional ordered bicontinuous mesoporous carbon

NASA Astrophysics Data System (ADS)

Wang, Tao; Liu, Xiaoying; Zhao, Dongyuan; Jiang, Zhiyu

2004-05-01

The electrochemical properties of the ordered three-dimensional (3D) mesoporous carbon, synthesized by using mesoporous silica (FDU-5) as a hard template from an impregnation procedure, has been firstly explored as an anode material for lithium-ion batteries. The material presents uniform pore size of 7.4 nm, BET surface area of 750 m 2/g. As a novel nano-material C-FDU-5 shows almost constant resistance and Li + diffusion coefficient when the potential is lower than the critical potential. The material also presents a reversible capacity higher than that of carbon nanotubes, and can be charge/discharged at the large current rate.

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

PubMed

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

2011-09-29

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

An order insertion scheduling model of logistics service supply chain considering capacity and time factors.

PubMed

Liu, Weihua; Yang, Yi; Wang, Shuqing; Liu, Yang

2014-01-01

Order insertion often occurs in the scheduling process of logistics service supply chain (LSSC), which disturbs normal time scheduling especially in the environment of mass customization logistics service. This study analyses order similarity coefficient and order insertion operation process and then establishes an order insertion scheduling model of LSSC with service capacity and time factors considered. This model aims to minimize the average unit volume operation cost of logistics service integrator and maximize the average satisfaction degree of functional logistics service providers. In order to verify the viability and effectiveness of our model, a specific example is numerically analyzed. Some interesting conclusions are obtained. First, along with the increase of completion time delay coefficient permitted by customers, the possible inserting order volume first increases and then trends to be stable. Second, supply chain performance reaches the best when the volume of inserting order is equal to the surplus volume of the normal operation capacity in mass service process. Third, the larger the normal operation capacity in mass service process is, the bigger the possible inserting order's volume will be. Moreover, compared to increasing the completion time delay coefficient, improving the normal operation capacity of mass service process is more useful.

Comparative study on kinetic adsorption of Cu(II), Cd(II) and Ni(II) ions from aqueous solutions using activated sludge and dried sludge

NASA Astrophysics Data System (ADS)

Ong, Soon-An; Toorisaka, Eiichi; Hirata, Makoto; Hano, Tadashi

2013-03-01

The adsorption of Cu(II), Cd(II) and Ni(II) ions from aqueous solutions by activated sludge and dried sludge was investigated under laboratory conditions to assess its potential in removing metal ions. The adsorption behavior of metal ions onto activated sludge and dried sludge was analyzed with Weber-Morris intra-particle diffusion model, Lagergren first-order model and pseudo second-order model. The rate constant of intra-particle diffusion on activated sludge and dried sludge increased in the sequence of Cu(II) > Ni(II) > Cd(II). According to the regression coefficients, it was observed that the kinetic adsorption data can fit better by the pseudo second-order model compared to the first-order Lagergren model with R 2 > 0.997. The adsorption capacities of metal ions onto activated sludge and dried sludge followed the sequence Ni(II) ≈ Cu(II) > Cd(II) and Cu(II) > Ni(II) > Cd(II).

Initiation reactions in acetylene pyrolysis

DOE PAGES

Zador, Judit; Fellows, Madison D.; Miller, James A.

2017-05-10

In gas-phase combustion systems the interest in acetylene stems largely from its role in molecular weight growth processes. The consensus is that above 1500 K acetylene pyrolysis starts mainly with the homolytic fission of the C–H bond creating an ethynyl radical and an H atom. However, below ~1500 K this reaction is too slow to initiate the chain reaction. It has been hypothesized that instead of dissociation, self-reaction initiates this process. Nevertheless, rigorous theoretical or direct experimental evidence is lacking, to an extent that even the molecular mechanism is debated in the literature. In this work we use rigorous abmore » initio transition-state theory master equation methods to calculate pressure- and temperature-dependent rate coefficients for the association of two acetylene molecules and related reactions. We establish the role of vinylidene, the high-energy isomer of acetylene in this process, compare our results with available experimental data, and assess the competition between the first-order and second-order initiation steps. As a result, we also show the effect of the rapid isomerization among the participating wells and highlight the need for time-scale analysis when phenomenological rate coefficients are compared to observed time scales in certain experiments.« less

Quantum scattering calculations for ro-vibrational de-excitation of CO by hydrogen atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Lei; Avoird, Ad van der; Karman, Tijs

2015-05-28

We present quantum-mechanical scattering calculations for ro-vibrational relaxation of carbon monoxide (CO) in collision with hydrogen atoms. Collisional cross sections of CO ro-vibrational transitions from v = 1, j = 0 − 30 to v′ = 0, j′ are calculated using the close coupling method for collision energies between 0.1 and 15 000 cm{sup −1} based on the three-dimensional potential energy surface of Song et al. [J. Phys. Chem. A 117, 7571 (2013)]. Cross sections of transitions from v = 1, j ≥ 3 to v′ = 0, j′ are reported for the first time at this level of theory. Alsomore » calculations by the more approximate coupled states and infinite order sudden (IOS) methods are performed in order to test the applicability of these methods to H–CO ro-vibrational inelastic scattering. Vibrational de-excitation rate coefficients of CO (v = 1) are presented for the temperature range from 100 K to 3000 K and are compared with the available experimental and theoretical data. All of these results and additional rate coefficients reported in a forthcoming paper are important for including the effects of H–CO collisions in astrophysical models.« less

Enhanced Modeling of First-Order Plant Equations of Motion for Aeroelastic and Aeroservoelastic Applications

NASA Technical Reports Server (NTRS)

Pototzky, Anthony S.

2010-01-01

A methodology is described for generating first-order plant equations of motion for aeroelastic and aeroservoelastic applications. The description begins with the process of generating data files representing specialized mode-shapes, such as rigid-body and control surface modes, using both PATRAN and NASTRAN analysis. NASTRAN executes the 146 solution sequence using numerous Direct Matrix Abstraction Program (DMAP) calls to import the mode-shape files and to perform the aeroelastic response analysis. The aeroelastic response analysis calculates and extracts structural frequencies, generalized masses, frequency-dependent generalized aerodynamic force (GAF) coefficients, sensor deflections and load coefficients data as text-formatted data files. The data files are then re-sequenced and re-formatted using a custom written FORTRAN program. The text-formatted data files are stored and coefficients for s-plane equations are fitted to the frequency-dependent GAF coefficients using two Interactions of Structures, Aerodynamics and Controls (ISAC) programs. With tabular files from stored data created by ISAC, MATLAB generates the first-order aeroservoelastic plant equations of motion. These equations include control-surface actuator, turbulence, sensor and load modeling. Altitude varying root-locus plot and PSD plot results for a model of the F-18 aircraft are presented to demonstrate the capability.

LQG control of a deformable mirror adaptive optics system with time-delayed measurements

NASA Astrophysics Data System (ADS)

Anderson, David J.

1991-12-01

This thesis proposes a linear quadratic Gaussian (LQG) control law for a ground-based deformable mirror adaptive optics system. The incoming image wavefront is distorted, primarily in phase, due to the turbulent effects of the earth's atmosphere. The adaptive optics system attempts to compensate for the distortion with a deformable mirror. A Hartman wavefront sensor measures the degree of distortion in the image wavefront. The measurements are input to a Kalman filter which estimates the system states. The state estimates are processed by a linear quadratic regulator which generates the appropriate control voltages to apply to the deformable mirror actuators. The dynamics model for the atmospheric phase distortion consists of 14 Zernike coefficient states; each modeled as a first-order linear time-invariant shaping filter driven by zero-mean white Gaussian noise. The dynamics of the deformable mirror are also model as 14 Zernike coefficients with first-order deterministic dynamics. A significant reduction in total wavefront phase distortion is achieved in the presence of time-delayed measurements. Wavefront sensor sampling rate is the major factor limiting system performance. The Multimode Simulation for Optimal Filter Evaluation (MSOFE) software is the performance evaluation tool of choice for this research.

H-, He-like recombination spectra - II. l-changing collisions for He Rydberg states

NASA Astrophysics Data System (ADS)

Guzmán, F.; Badnell, N. R.; Williams, R. J. R.; van Hoof, P. A. M.; Chatzikos, M.; Ferland, G. J.

2017-01-01

Cosmological models can be constrained by determining primordial abundances. Accurate predictions of the He I spectrum are needed to determine the primordial helium abundance to a precision of <1 per cent in order to constrain big bang nucleosynthesis models. Theoretical line emissivities at least this accurate are needed if this precision is to be achieved. In the first paper of this series, which focused on H I, we showed that differences in l-changing collisional rate coefficients predicted by three different theories can translate into 10 per cent changes in predictions for H I spectra. Here, we consider the more complicated case of He atoms, where low-l subshells are not energy degenerate. A criterion for deciding when the energy separation between l subshells is small enough to apply energy-degenerate collisional theories is given. Moreover, for certain conditions, the Bethe approximation originally proposed by Pengelly & Seaton is not sufficiently accurate. We introduce a simple modification of this theory which leads to rate coefficients which agree well with those obtained from pure quantal calculations using the approach of Vrinceanu et al. We show that the l-changing rate coefficients from the different theoretical approaches lead to differences of ˜10 per cent in He I emissivities in simulations of H II regions using spectral code CLOUDY.

Solubilization, Solution Equilibria, and Biodegradation of PAH's under Thermophilic Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Viamajala, S.; Peyton, B. M.; Richards, L. A.

Biodegradation rates of PAHs are typically low at mesophilic conditions and it is believed that the kinetics of degradation is controlled by PAH solubility and mass transfer rates. Solubility tests were performed on phenanthrene, fluorene and fluoranthene at 20 C, 40 C and 60 C and, as expected, a significant increase in the equilibrium solubility concentration and of the rate of dissolution of these polycyclic aromatic hydrocarbons (PAHs) was observed with increasing temperature. A first-order model was used to describe the PAH dissolution kinetics and the thermodynamic property changes associated with the dissolution process (enthalpy, entropy and Gibb's free energymore » of solution) were evaluated. Further, other relevant thermodynamic properties for these PAHs, including the activity coefficients at infinite dilution, Henry's law constants and octanol-water partition coefficients, were calculated in the temperature range 20-60 C. In parallel with the dissolution studies, three thermophilic Geobacilli were isolated from compost that grew on phenanthrene at 60 C and degraded the PAH more rapidly than other reported mesophiles. Our results show that while solubilization rates of PAHs are significantly enhanced at elevated temperatures, the biodegradation of PAHs under thermophilic conditions is likely mass transfer limited due to enhanced degradation rates.« less

Theoretical characteristics of two-dimensional supersonic control surfaces

NASA Technical Reports Server (NTRS)

Morrissette, Robert R; Oborny, Lester F

1951-01-01

The "Busemann second-order-approximation theory" for the pressure distribution over a two-dimensional airfoil in supersonic flow was used to determine some of the aerodynamic characteristics of uncambered symmetrical parabolic and double-wedge airfoils with leading-edge and trailing-edge flaps. The characteristics presented and discussed in this paper are: flap effectiveness factor, rate of change of hinge-moment coefficient with flap deflection, rate of change of the pitching-moment coefficient with flap deflection, rate of change of the pitching-moment coefficient about the mid chord with flap deflection, and the location of the center of pressure of the airfoil-flap combination.

(CH3)3COOH (tert-butyl hydroperoxide): OH reaction rate coefficients between 206 and 375 K and the OH photolysis quantum yield at 248 nm.

PubMed

Baasandorj, Munkhbayar; Papanastasiou, Dimitrios K; Talukdar, Ranajit K; Hasson, Alam S; Burkholder, James B

2010-10-14

Rate coefficients, k, for the gas-phase reaction of the OH radical with (CH(3))(3)COOH (tert-butyl hydroperoxide) were measured as a function of temperature (206-375 K) and pressure (25-200 Torr (He, N(2))). Rate coefficients were measured under pseudo-first-order conditions using pulsed laser photolysis to produce OH and laser induced fluorescence (PLP-LIF) to measure the OH temporal profile. Two independent methods were used to determine the gas-phase infrared cross sections of (CH(3))(3)COOH, absolute pressure and chemical titration, that were used to determine the (CH(3))(3)COOH concentration in the LIF reactor. The temperature dependence of the rate coefficients is described, within the measurement precision, by the Arrhenius expression k(1)(T) = (7.0 ± 1.0) × 10(-13) exp[(485 ± 20)/T] cm(3) molecule(-1) s(-1) where k(1)(296 K) was measured to be (3.58 ± 0.54) × 10(-12) cm(3) molecule(-1) s(-1). The uncertainties are 2σ (95% confidence level) and include estimated systematic errors. UV absorption cross sections of (CH(3))(3)COOH were determined at 185, 214, 228, and 254 nm and over the wavelength range 210-300 nm. The OH quantum yield following the 248 nm pulsed laser photolysis of (CH(3))(3)COOH was measured relative to the OH quantum yields of H(2)O(2) and HNO(3) using PLP-LIF and found to be near unity.

Bayesian dynamic modeling of time series of dengue disease case counts

PubMed Central

López-Quílez, Antonio; Torres-Prieto, Alexander

2017-01-01

The aim of this study is to model the association between weekly time series of dengue case counts and meteorological variables, in a high-incidence city of Colombia, applying Bayesian hierarchical dynamic generalized linear models over the period January 2008 to August 2015. Additionally, we evaluate the model’s short-term performance for predicting dengue cases. The methodology shows dynamic Poisson log link models including constant or time-varying coefficients for the meteorological variables. Calendar effects were modeled using constant or first- or second-order random walk time-varying coefficients. The meteorological variables were modeled using constant coefficients and first-order random walk time-varying coefficients. We applied Markov Chain Monte Carlo simulations for parameter estimation, and deviance information criterion statistic (DIC) for model selection. We assessed the short-term predictive performance of the selected final model, at several time points within the study period using the mean absolute percentage error. The results showed the best model including first-order random walk time-varying coefficients for calendar trend and first-order random walk time-varying coefficients for the meteorological variables. Besides the computational challenges, interpreting the results implies a complete analysis of the time series of dengue with respect to the parameter estimates of the meteorological effects. We found small values of the mean absolute percentage errors at one or two weeks out-of-sample predictions for most prediction points, associated with low volatility periods in the dengue counts. We discuss the advantages and limitations of the dynamic Poisson models for studying the association between time series of dengue disease and meteorological variables. The key conclusion of the study is that dynamic Poisson models account for the dynamic nature of the variables involved in the modeling of time series of dengue disease, producing useful models for decision-making in public health. PMID:28671941

Geometric and thermal controls on normal fault seismicity from rate-and-state friction models

NASA Astrophysics Data System (ADS)

Mark, H. F.; Behn, M. D.; Olive, J. A. L.; Liu, Y.

2017-12-01

Seismic and geodetic observations from the last two decades have led to a growing realization that a significant amount of fault slip at plate boundaries occurs aseismically, and that the amount of aseismic displacement varies across settings. Here we investigate controls on the seismogenic behavior of crustal-scale normal faults that accommodate extensional strain at mid-ocean ridges and continental rifts. Seismic moment release rates measured along the fast-spreading East Pacific Rise suggest that the majority of fault growth occurs aseismically with almost no seismic slip. In contrast, at the slow-spreading Mid-Atlantic Ridge seismic slip may represent up to 60% of the total fault displacement. Potential explanations for these variations include heterogeneous distributions of frictional properties on fault surfaces, effects of variable magma supply associated with seafloor spreading, and/or differences in fault geometry and thermal structure. In this study, we use rate-and-state friction models to study the seismic coupling coefficient (the fraction of total fault slip that occurs seismically) for normal faults at divergent plate boundaries, and investigate controls on fault behavior that might produce the variations in the coupling coefficient observed in natural systems. We find that the seismic coupling coefficient scales with W/h*, where W is the downdip width of the seismogenic area of the fault and h* is the critical earthquake nucleation size. At mid-ocean ridges, W is expected to increase with decreasing spreading rate. Thus, the observed relationship between seismic coupling and W/h* explains to first order variations in seismic coupling coefficient as a function of spreading rate. Finally, we use catalog data from the Gulf of Corinth to show that this scaling relationship can be extended into the thicker lithosphere of continental rift systems.

Release from or through a wax matrix system. IV. Generalized expression of the release process for a reservoir device tablet.

PubMed

Yonezawa, Yorinobu; Ishida, Sumio; Suzuki, Shinobu; Sunada, Hisakazu

2002-09-01

Generalization of the release process through the wax matrix layer was examined by use of a reservoir device tablet. The wax matrix layer of the reservoir device tablet was prepared from a physical mixture of lactose and hydrogenated castor oil to simplify the release properties. Release through the wax matrix layer showed zero-order kinetics in a steady state after a given lag time, and could be divided into two stages. The first stage was the formation process of water channel by dissolving the soluble component in the wax matrix layer. The lag time obtained by applying the square root law equation was well connected with the amount of the matrix layer and mixed weight ratio of components in this layer. The second stage was the zero-order release process of drug in the reservoir through the wax matrix layer, because the effective surface area was fixed. The release rate constants were connected with thickness of the matrix layer and permeability coefficient, and the permeability coefficients were connected with the diffusion coefficient of drug and porosity. Hence the release rate constant could be connected with the amount of matrix layer and the mixed weight ratio of components in the matrix layer. It was therefore suggested that the release process could be generalized using the amount of matrix layer and the mixed weight ratio of components in the matrix layer.

Photolysis Rate Coefficient Calculations in Support of SOLVE Campaign

NASA Technical Reports Server (NTRS)

Lloyd, Steven A.; Swartz, William H.

2001-01-01

The objectives for this SOLVE project were 3-fold. First, we sought to calculate a complete set of photolysis rate coefficients (j-values) for the campaign along the ER-2 and DC-8 flight tracks. En route to this goal, it would be necessary to develop a comprehensive set of input geophysical conditions (e.g., ozone profiles), derived from various climatological, aircraft, and remotely sensed datasets, in order to model the radiative transfer of the atmosphere accurately. These j-values would then need validation by comparison with flux-derived j-value measurements. The second objective was to analyze chemistry along back trajectories using the NASA/Goddard chemistry trajectory model initialized with measurements of trace atmospheric constituents. This modeling effort would provide insight into the completeness of current measurements and the chemistry of Arctic wintertime ozone loss. Finally, we sought to coordinate stellar occultation measurements of ozone (and thus ozone loss) during SOLVE using the Midcourse Space Experiment(MSX)/Ultraviolet and Visible Imagers and Spectrographic Imagers (UVISI) satellite instrument. Such measurements would determine ozone loss during the Arctic polar night and represent the first significant science application of space-based stellar occultation in the Earth's atmosphere.

Atomic Data for Neutron-capture Elements I. Photoionization and Recombination Properties of Low-charge Selenium Ions

NASA Technical Reports Server (NTRS)

Sterling, N. C.; Witthoeft, Michael

2011-01-01

We present multi-configuration Breit-Pauli AUTOSTRUCTURE calculations of distorted-wave photoionization (PI) cross sections. and total and partial final-state resolved radiative recombination (RR) and dielectronic recombination (DR) rate coefficients for the first six ions of the trans-iron element Se. These calculations were motivated by the recent detection of Se emission lines in a large number of planetary nebulae. Se is a potentially useful tracer of neutron-capture nucleosynthesis. but accurate determinations of its abundance in photoionized nebulae have been hindered by the lack of atomic data governing its ionization balance. Our calculations were carried out in intermediate coupling with semi re1ativistic radial wavefunctions. PI and recombination data were determined for levels within the ground configuration of each ion, and experimental PI cross-section measurements were used to benchmark our results. For DR, we allowed (Delta)n = 0 core excitations, which are important at photoionized plasma temperatures. We find that DR is the dominant recombination process for each of these Se ions at temperatures representative of photoionized nebulae (approx.10(exp 4) K). In order to estimate the uncertainties of these data, we compared results from three different configuration-interaction expansions for each ion, and also tested the sensitivity of the results to the radial scaling factors in the structure calculations. We find that the internal uncertainties are typically 30-50% for the direct PI cross sections and approx.10% for the computed RR rate coefficients, while those for low-temperature DR can be considerably larger (from 15-30% up to two orders of magnitude) due to the unknown energies of near-threshold autoionization resonances. These data are available at the CDS, and fitting coefficients to the total RR and DR rate coefficients are presented. The results are suitable for incorporation into photoionization codes used to numerically simulate astrophysical nebulae, and will enable robust determinations of nebular Se abundances.

Hyperfine excitation of C2H in collisions with ortho- and para-H2

NASA Astrophysics Data System (ADS)

Dagdigian, Paul J.

2018-06-01

Accurate estimation of the abundance of the ethynyl (C2H) radical requires accurate radiative and collisional rate coefficients. Hyperfine-resolved rate coefficients for (de-)excitation of C2H in collisions with ortho- and para-H2 are presented in this work. These rate coefficients were computed in time-independent close-coupling quantum scattering calculations that employed a potential energy surface recently computed at the coupled-clusters level of theory that describes the interaction of C2H with H2. Rate coefficients for temperatures from 10 to 300 K were computed for all transitions among the first 40 hyperfine energy levels of C2H in collisions with ortho- and para-H2. These rate coefficients were employed in simple radiative transfer calculations to simulate the excitation of C2H in typical molecular clouds.

Gas-phase rate coefficients for the OH + n-, i-, s-, and t-butanol reactions measured between 220 and 380 K: non-Arrhenius behavior and site-specific reactivity.

PubMed

McGillen, Max R; Baasandorj, Munkhbayar; Burkholder, James B

2013-06-06

Butanol (C4H9OH) is a potential biofuel alternative in fossil fuel gasoline and diesel formulations. The usage of butanol would necessarily lead to direct emissions into the atmosphere; thus, an understanding of its atmospheric processing and environmental impact is desired. Reaction with the OH radical is expected to be the predominant atmospheric removal process for the four aliphatic isomers of butanol. In this work, rate coefficients, k, for the gas-phase reaction of the n-, i-, s-, and t-butanol isomers with the OH radical were measured under pseudo-first-order conditions in OH using pulsed laser photolysis to produce OH radicals and laser induced fluorescence to monitor its temporal profile. Rate coefficients were measured over the temperature range 221-381 K at total pressures between 50 and 200 Torr (He). The reactions exhibited non-Arrhenius behavior over this temperature range and no dependence on total pressure with k(296 K) values of (9.68 ± 0.75), (9.72 ± 0.72), (8.88 ± 0.69), and (1.04 ± 0.08) (in units of 10(-12) cm(3) molecule(-1) s(-1)) for n-, i-, s-, and t-butanol, respectively. The quoted uncertainties are at the 2σ level and include estimated systematic errors. The observed non-Arrhenius behavior is interpreted here to result from a competition between the available H-atom abstraction reactive sites, which have different activation energies and pre-exponential factors. The present results are compared with results from previous kinetic studies, structure-activity relationships (SARs), and theoretical calculations and the discrepancies are discussed. Results from this work were combined with available high temperature (1200-1800 K) rate coefficient data and room temperature reaction end-product yields, where available, to derive a self-consistent site-specific set of reaction rate coefficients of the form AT(n) exp(-E/RT) for use in atmospheric and combustion chemistry modeling.

Sorption kinetics and isotherm studies of a cationic dye using agricultural waste: broad bean peels.

PubMed

Hameed, B H; El-Khaiary, M I

2008-06-15

In this paper, broad bean peels (BBP), an agricultural waste, was evaluated for its ability to remove cationic dye (methylene blue) from aqueous solutions. Batch mode experiments were conducted at 30 degrees C. Equilibrium sorption isotherms and kinetics were investigated. The kinetic data obtained at different concentrations have been analyzed using pseudo-first-order, pseudo-second-order and intraparticle diffusion equations. The experimental data fitted very well the pseudo-first-order kinetic model. Analysis of the temportal change of q indicates that at the beginning of the process the overall rate of adsorption is controlled by film-diffusion, then at later stage intraparticle-diffusion controls the rate. Diffusion coefficients and times of transition from film to pore-diffusion control were estimated by piecewise linear regression. The experimental data were analyzed by the Langmuir and Freundlich models. The sorption isotherm data fitted well to Langmuir isotherm and the monolayer adsorption capacity was found to be 192.7 mg/g and the equilibrium adsorption constant Ka is 0.07145 l/mg at 30 degrees C. The results revealed that BBP was a promising sorbent for the removal of methylene blue from aqueous solutions.

A statistical methodology for estimating transport parameters: Theory and applications to one-dimensional advectivec-dispersive systems

USGS Publications Warehouse

Wagner, Brian J.; Gorelick, Steven M.

1986-01-01

A simulation nonlinear multiple-regression methodology for estimating parameters that characterize the transport of contaminants is developed and demonstrated. Finite difference contaminant transport simulation is combined with a nonlinear weighted least squares multiple-regression procedure. The technique provides optimal parameter estimates and gives statistics for assessing the reliability of these estimates under certain general assumptions about the distributions of the random measurement errors. Monte Carlo analysis is used to estimate parameter reliability for a hypothetical homogeneous soil column for which concentration data contain large random measurement errors. The value of data collected spatially versus data collected temporally was investigated for estimation of velocity, dispersion coefficient, effective porosity, first-order decay rate, and zero-order production. The use of spatial data gave estimates that were 2–3 times more reliable than estimates based on temporal data for all parameters except velocity. Comparison of estimated linear and nonlinear confidence intervals based upon Monte Carlo analysis showed that the linear approximation is poor for dispersion coefficient and zero-order production coefficient when data are collected over time. In addition, examples demonstrate transport parameter estimation for two real one-dimensional systems. First, the longitudinal dispersivity and effective porosity of an unsaturated soil are estimated using laboratory column data. We compare the reliability of estimates based upon data from individual laboratory experiments versus estimates based upon pooled data from several experiments. Second, the simulation nonlinear regression procedure is extended to include an additional governing equation that describes delayed storage during contaminant transport. The model is applied to analyze the trends, variability, and interrelationship of parameters in a mourtain stream in northern California.

Soliton solutions, stability analysis and conservation laws for the brusselator reaction diffusion model with time- and constant-dependent coefficients

NASA Astrophysics Data System (ADS)

Inc, Mustafa; Yusuf, Abdullahi; Isa Aliyu, Aliyu; Hashemi, M. S.

2018-05-01

This paper studies the brusselator reaction diffusion model (BRDM) with time- and constant-dependent coefficients. The soliton solutions for BRDM with time-dependent coefficients are obtained via first integral (FIM), ansatz, and sine-Gordon expansion (SGEM) methods. Moreover, it is well known that stability analysis (SA), symmetry analysis and conservation laws (CLs) give several information for modelling a system of differential equations (SDE). This is because they can be used for investigating the internal properties, existence, uniqueness and integrability of different SDE. For this reason, we investigate the SA via linear stability technique, symmetry analysis and CLs for BRDM with constant-dependent coefficients in order to extract more physics and information on the governing equation. The constraint conditions for the existence of the solutions are also examined. The new solutions obtained in this paper can be useful for describing the concentrations of diffusion problems of the BRDM. It is shown that the examined dependent coefficients are some of the factors that are affecting the diffusion rate. So, the present paper provides much motivational information in comparison to the existing results in the literature.

An Order Insertion Scheduling Model of Logistics Service Supply Chain Considering Capacity and Time Factors

PubMed Central

Yang, Yi; Wang, Shuqing; Liu, Yang

2014-01-01

Order insertion often occurs in the scheduling process of logistics service supply chain (LSSC), which disturbs normal time scheduling especially in the environment of mass customization logistics service. This study analyses order similarity coefficient and order insertion operation process and then establishes an order insertion scheduling model of LSSC with service capacity and time factors considered. This model aims to minimize the average unit volume operation cost of logistics service integrator and maximize the average satisfaction degree of functional logistics service providers. In order to verify the viability and effectiveness of our model, a specific example is numerically analyzed. Some interesting conclusions are obtained. First, along with the increase of completion time delay coefficient permitted by customers, the possible inserting order volume first increases and then trends to be stable. Second, supply chain performance reaches the best when the volume of inserting order is equal to the surplus volume of the normal operation capacity in mass service process. Third, the larger the normal operation capacity in mass service process is, the bigger the possible inserting order's volume will be. Moreover, compared to increasing the completion time delay coefficient, improving the normal operation capacity of mass service process is more useful. PMID:25276851

A fractal analysis of protein to DNA binding kinetics using biosensors.

PubMed

Sadana, Ajit

2003-08-01

A fractal analysis of a confirmative nature only is presented for the binding of estrogen receptor (ER) in solution to its corresponding DNA (estrogen response element, ERE) immobilized on a sensor chip surface [J. Biol. Chem. 272 (1997) 11384], and for the cooperative binding of human 1,25-dihydroxyvitamin D(3) receptor (VDR) to DNA with the 9-cis-retinoic acid receptor (RXR) [Biochemistry 35 (1996) 3309]. Ligands were also used to modulate the first reaction. Data taken from the literature may be modeled by using a single- or a dual-fractal analysis. Relationships are presented for the binding rate coefficient as a function of either the analyte concentration in solution or the fractal dimension that exists on the biosensor surface. The binding rate expressions developed exhibit a wide range of dependence on the degree of heterogeneity that exists on the surface, ranging from sensitive (order of dependence equal to 1.202) to very sensitive (order of dependence equal to 12.239). In general, the binding rate coefficient increases as the degree of heterogeneity or the fractal dimension of the surface increases. The predictive relationships presented provide further physical insights into the reactions occurring on the biosensor surface. Even though these reactions are occurring on the biosensor surface, the relationships presented should assist in understanding and in possibly manipulating the reactions occurring on cellular surfaces.

Watermarking scheme for authentication of compressed image

NASA Astrophysics Data System (ADS)

Hsieh, Tsung-Han; Li, Chang-Tsun; Wang, Shuo

2003-11-01

As images are commonly transmitted or stored in compressed form such as JPEG, to extend the applicability of our previous work, a new scheme for embedding watermark in compressed domain without resorting to cryptography is proposed. In this work, a target image is first DCT transformed and quantised. Then, all the coefficients are implicitly watermarked in order to minimize the risk of being attacked on the unwatermarked coefficients. The watermarking is done through registering/blending the zero-valued coefficients with a binary sequence to create the watermark and involving the unembedded coefficients during the process of embedding the selected coefficients. The second-order neighbors and the block itself are considered in the process of the watermark embedding in order to thwart different attacks such as cover-up, vector quantisation, and transplantation. The experiments demonstrate the capability of the proposed scheme in thwarting local tampering, geometric transformation such as cropping, and common signal operations such as lowpass filtering.

Characterization of adsorption and degradation of diuron in carbonatic and noncarbonatic soils.

PubMed

Kasozi, Gabriel N; Nkedi-Kizza, Peter; Agyin-Birikorang, Sampson; Zimmerman, Andrew R

2010-01-27

The adsorption and degradation of the pesticide diuron in carbonatic and noncarbonatic soils were investigated to better understand the fate and transport of diuron in the environment. Batch adsorption experiments yielded isotherms that were well-described by the linear model. Adsorption coefficients normalized to soil organic carbon content (K(oc)) were lowest for carbonatic soils, averaging 259 +/- 48 (95% CI), 558 +/- 109, 973 +/- 156, and 2090 +/- 1054 for carbonatic soils, Histosols, Oxisols, and Spodosols, respectively. In addition, marl-carbonatic soils had much lower K(oc) values (197 +/- 27) than nonmarl-carbonatic soils. Diuron degradation data fit a first-order reaction kinetics model, yielding half-lives in soils ranging from 40 to 267 days. There was no significant difference between the average diuron degradation rate coefficients of each of the soil groups studied. Given the low adsorption capacity of carbonatic soils, it may be advisable to lower herbicide application rates in agricultural regions with carbonatic soils such as southern Florida to protect aquatic ecosystems and water quality.

Constraining friction, dilatancy and effective stress with earthquake rates in the deep crust

NASA Astrophysics Data System (ADS)

Beeler, N. M.; Thomas, A.; Burgmann, R.; Shelly, D. R.

2015-12-01

Similar to their behavior on the deep extent of some subduction zones, families of recurring low-frequency earthquakes (LFE) within zones of non-volcanic tremor on the San Andreas fault in central California show strong sensitivity to stresses induced by the tides. Taking all of the LFE families collectively, LFEs occur at all levels of the daily tidal stress, and are in phase with the very small, ~200 Pa, shear stress amplitudes while being uncorrelated with the ~2 kPa tidal normal stresses. Following previous work we assume LFE sources are small, persistent regions that repeatedly fail during shear within a much larger scale, otherwise aseismically creeping fault zone and that the correlation of LFE occurrence reflects modulation of the fault creep rate by the tidal stresses. We examine the predictions of laboratory-observed rate-dependent dilatancy associated with frictional slip. The effect of dilatancy hardening is to damp the slip rate, so high dilatancy under undrained pore pressure reduces modulation of slip rate by the tides. The undrained end-member model produces: 1) no sensitivity to the tidal normal stress, as first suggested in this context by Hawthorne and Rubin [2010], and 2) fault creep rate in phase with the tidal shear stress. Room temperature laboratory-observed values of the dilatancy and friction coefficients for talc, an extremely weak and weakly dilatant material, under-predict the observed San Andreas modulation at least by an order of magnitude owing to too much dilatancy. This may reflect a temperature dependence of the dilatancy and friction coefficients, both of which are expected to be zero at the brittle-ductile transition. The observed tidal modulation constrains the product of the friction and dilatancy coefficients to be at most 5 x 10-7 in the LFE source region, an order of magnitude smaller than observed at room temperature for talc. Alternatively, considering the predictions of a purely rate-dependent talc friction would constrain the ambient effective normal stress to be no more than 40 kPa. In summary, for friction models that have both rate-dependent strength and dilatancy, the observations require intrinsic weakness, low dilatancy, and lithostatic pore fluid pressures.

Modeling turbulent/chemistry interactions using assumed pdf methods

NASA Technical Reports Server (NTRS)

Gaffney, R. L, Jr.; White, J. A.; Girimaji, S. S.; Drummond, J. P.

1992-01-01

Two assumed probability density functions (pdfs) are employed for computing the effect of temperature fluctuations on chemical reaction. The pdfs assumed for this purpose are the Gaussian and the beta densities of the first kind. The pdfs are first used in a parametric study to determine the influence of temperature fluctuations on the mean reaction-rate coefficients. Results indicate that temperature fluctuations significantly affect the magnitude of the mean reaction-rate coefficients of some reactions depending on the mean temperature and the intensity of the fluctuations. The pdfs are then tested on a high-speed turbulent reacting mixing layer. Results clearly show a decrease in the ignition delay time due to increases in the magnitude of most of the mean reaction rate coefficients.

The Glimm scheme for perfect fluids on plane-symmetric Gowdy spacetimes

NASA Astrophysics Data System (ADS)

Barnes, A. P.; Lefloch, P. G.; Schmidt, B. G.; Stewart, J. M.

2004-11-01

We propose a new, augmented formulation of the coupled Euler Einstein equations for perfect fluids on plane-symmetric Gowdy spacetimes. The unknowns of the augmented system are the density and velocity of the fluid and the first- and second-order spacetime derivatives of the metric. We solve the Riemann problem for the augmented system, allowing propagating discontinuities in both the fluid variables and the first- and second-order derivatives of the geometry coefficients. Our main result, based on Glimm's random choice scheme, is the existence of solutions with bounded total variation of the Euler Einstein equations, up to the first time where a blow-up singularity (unbounded first-order derivatives of the geometry coefficients) occurs. We demonstrate the relevance of the augmented system for numerical relativity. We also consider general vacuum spacetimes and solve a Riemann problem, by relying on a theorem by Rendall on the characteristic value problem for the Einstein equations.

Hybrid colored noise process with space-dependent switching rates

NASA Astrophysics Data System (ADS)

Bressloff, Paul C.; Lawley, Sean D.

2017-07-01

A fundamental issue in the theory of continuous stochastic process is the interpretation of multiplicative white noise, which is often referred to as the Itô-Stratonovich dilemma. From a physical perspective, this reflects the need to introduce additional constraints in order to specify the nature of the noise, whereas from a mathematical perspective it reflects an ambiguity in the formulation of stochastic differential equations (SDEs). Recently, we have identified a mechanism for obtaining an Itô SDE based on a form of temporal disorder. Motivated by switching processes in molecular biology, we considered a Brownian particle that randomly switches between two distinct conformational states with different diffusivities. In each state, the particle undergoes normal diffusion (additive noise) so there is no ambiguity in the interpretation of the noise. However, if the switching rates depend on position, then in the fast switching limit one obtains Brownian motion with a space-dependent diffusivity of the Itô form. In this paper, we extend our theory to include colored additive noise. We show that the nature of the effective multiplicative noise process obtained by taking both the white-noise limit (κ →0 ) and fast switching limit (ɛ →0 ) depends on the order the two limits are taken. If the white-noise limit is taken first, then we obtain Itô, and if the fast switching limit is taken first, then we obtain Stratonovich. Moreover, the form of the effective diffusion coefficient differs in the two cases. The latter result holds even in the case of space-independent transition rates, where one obtains additive noise processes with different diffusion coefficients. Finally, we show that yet another form of multiplicative noise is obtained in the simultaneous limit ɛ ,κ →0 with ɛ /κ2 fixed.

Modelling cometabolic biotransformation of organic micropollutants in nitrifying reactors.

PubMed

Fernandez-Fontaina, E; Carballa, M; Omil, F; Lema, J M

2014-11-15

Cometabolism is the ability of microorganisms to degrade non-growth substrates in the presence of primary substrates, being the main removal mechanism behind the biotransformation of organic micropollutants in wastewater treatment plants. In this paper, a cometabolic Monod-type kinetics, linking biotransformation of micropollutants with primary substrate degradation, was applied to a highly enriched nitrifying activated sludge (NAS) reactor operated under different operational conditions (hydraulic retention time (HRT) and nitrifying activity). A dynamic model of the bioreactor was built taking into account biotransformation, sorption and volatilization. The micropollutant transformation capacity (Tc), the half-saturation constant (Ksc) and the solid-liquid partitioning coefficient (Kd) of several organic micropollutants were estimated at 25 °C using an optimization algorithm to fit experimental data to the proposed model with the cometabolic Monod-type biotransformation kinetics. The cometabolic Monod-type kinetic model was validated under different HRTs (1.0-3.7 d) and nitrification rates (0.12-0.45 g N/g VSS d), describing more accurately the fate of those compounds affected by the biological activity of nitrifiers (ibuprofen, naproxen, erythromycin and roxithromycin) compared to the commonly applied pseudo-first order micropollutant biotransformation kinetics, which does not link biotransformation of micropollutants to consumption of primary substrate. Furthermore, in contrast to the pseudo-first order biotransformation constant (k(biol)), the proposed cometabolic kinetic coefficients are independent of operational conditions such as the nitrogen loading rate applied. Also, the influence of the kinetic parameters on the biotransformation efficiency of NAS reactors, defined as the relative amount of the total inlet micropollutant load being biotransformed, was assessed considering different HRTs and nitrification rates. Copyright © 2014 Elsevier Ltd. All rights reserved.

Beyond the Mincer Equation: The Internal Rate of Return to Higher Education in Colombia

ERIC Educational Resources Information Center

García-Suaza, Andrés Felipe; Guataquí, Juan Carlos; Guerra, José Alberto; Maldonado, Darío

2014-01-01

In order to present an estimation of the internal rate of return (IRR) to higher education in Colombia, we take advantage of recent updates on the methodological approach towards earnings equations. In order to overcome the criticism that surrounds interpretations of the education coefficient of Mincer equations as being the rate of return to…

Heart rate measurement based on a time-lapse image.

PubMed

Takano, Chihiro; Ohta, Yuji

2007-10-01

Using a time-lapse image acquired from a CCD camera, we developed a non-contact and non-invasive device, which could measure both the respiratory and pulse rate simultaneously. The time-lapse image of a part of the subject's skin was consecutively captured, and the changes in the average image brightness of the region of interest (ROI) were measured for 30s. The brightness data were processed by a series of operations of interpolation as follows a first-order derivative, a low pass filter of 2 Hz, and a sixth-order auto-regressive (AR) spectral analysis. Fourteen sound and healthy female subjects (22-27 years of age) participated in the experiments. Each subject was told to keep a relaxed seating posture with no physical restriction. At the same time, heart rate was measured by a pulse oximeter and respiratory rate was measured by a thermistor placed at the external naris. Using AR spectral analysis, two clear peaks could be detected at approximately 0.3 and 1.2 Hz. The peaks were thought to correspond to the respiratory rate and the heart rate. Correlation coefficients of 0.90 and 0.93 were obtained for the measurement of heart rate and respiratory rate, respectively.

Influence of food, aquatic humus, and alkalinity on methylmercury uptake by Daphnia magna

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monson, B.A.; Brezonik, P.L.

Six-day-old Daphnia magna were exposed to low concentrations of methylmercury (MeHg) in synthetic freshwater and synthetic food. Uptake kinetics were determined in 24- to 72-h experiments, measuring both the loss of Hg from water and accumulation in D. magna. Dose-uptake response was linear for MeHg concentrations up to 4.0 ng/L; an initial concentration of 2.0 ng/L was used when other factors were varied. Concentrations of total Hg and MeHg in water and D. magna were measured in treatments with varied hardness and alkalinity, aquatic humus (AH), and food spiked with MeHg versus water spiked with MeHg. Uptake rate coefficients weremore » derived from two versions of a first-order, two-compartment model. The first version assumed constant MeHg concentration; the second accounted for changing MeHg concentration in water over time. Both models accounted for a nonzero starting concentration of MeHg in plankton. Fitted rate coefficients were higher for the second model than the first: the uptake coefficient (k{sub u}) was nine times higher; the depuration coefficient (k{sub d}) was twice as high. Assuming a constant MeHg concentration for a one-time spike thus underestimated the rate coefficient. The source of MeHg was compared by exposing D. magna for 48 h to MeHg at 2 ng/L in food or water. Daphnia magna accumulated significantly more inorganic Hg (i.e., Hg{sup 2+}) from spiked food than from spiked water, but accumulation of MeHg was the same from both sources. A similar response was found when D. magna were exposed to a lake water extraction of AH at concentrations of C at 3 and 10 mg/L. At the higher AH concentration, total Hg in daphnids was higher, but MeHg was lower, suggesting that AH was a source of inorganic Hg but reduced the bioavailability of MeHg. Exposure of D. magna to MeHg at 2 ng/L in hard or soft water adjusted to pH 6.7 showed no significant difference in MeHg uptake, supporting an argument that hardness and alkalinity per se do not affect MeHg uptake by daphnids.« less

The excitation of OH by H2 revisited - I: fine-structure resolved rate coefficients

NASA Astrophysics Data System (ADS)

Kłos, J.; Ma, Q.; Dagdigian, P. J.; Alexander, M. H.; Faure, A.; Lique, F.

2017-11-01

Observations of OH in molecular clouds provide crucial constraints on both the physical conditions and the oxygen and water chemistry in these clouds. Accurate modelling of the OH emission spectra requires the calculation of rate coefficients for excitation of OH by collisions with the most abundant collisional partner in the molecular clouds, namely the H2 molecule. We report here theoretical calculations for the fine-structure excitation of OH by H2 (both para- and ortho-H2) using a recently developed highly accurate potential energy surface. Full quantum close coupling rate coefficients are provided for temperatures ranging from 10 to 150 K. Propensity rules are discussed and the new OH-H2 rate coefficients are compared to the earlier values that are currently used in astrophysical modelling. Significant differences were found: the new rate coefficients are significantly larger. As a first application, we simulate the excitation of OH in typical cold molecular clouds and star-forming regions. The new rate coefficients predict substantially larger line intensities. As a consequence, OH abundances derived from observations will be reduced from the values predicted by the earlier rate coefficients.

Identification of Correlated GRACE Monthly Harmonic Coefficients Using Pattern Recognition and Neural Networks

NASA Astrophysics Data System (ADS)

Piretzidis, D.; Sra, G.; Sideris, M. G.

2016-12-01

This study explores new methods for identifying correlation errors in harmonic coefficients derived from monthly solutions of the Gravity Recovery and Climate Experiment (GRACE) satellite mission using pattern recognition and neural network algorithms. These correlation errors are evidenced in the differences between monthly solutions and can be suppressed using a de-correlation filter. In all studies so far, the implementation of the de-correlation filter starts from a specific minimum order (i.e., 11 for RL04 and 38 for RL05) until the maximum order of the monthly solution examined. This implementation method has two disadvantages, namely, the omission of filtering correlated coefficients of order less than the minimum order and the filtering of uncorrelated coefficients of order higher than the minimum order. In the first case, the filtered solution is not completely free of correlated errors, whereas the second case results in a monthly solution that suffers from loss of geophysical signal. In the present study, a new method of implementing the de-correlation filter is suggested, by identifying and filtering only the coefficients that show indications of high correlation. Several numerical and geometric properties of the harmonic coefficient series of all orders are examined. Extreme cases of both correlated and uncorrelated coefficients are selected, and their corresponding properties are used to train a two-layer feed-forward neural network. The objective of the neural network is to identify and quantify the correlation by providing the probability of an order of coefficients to be correlated. Results show good performance of the neural network, both in the validation stage of the training procedure and in the subsequent use of the trained network to classify independent coefficients. The neural network is also capable of identifying correlated coefficients even when a small number of training samples and neurons are used (e.g.,100 and 10, respectively).

Force and moment rotordynamic coefficients for pump-impeller shroud surfaces

NASA Technical Reports Server (NTRS)

Childs, Dara W.

1987-01-01

Governing equations of motion are derived for a bulk-flow model of the leakage path between an impeller shroud and a pump housing. The governing equations consist of a path-momentum, a circumferential - momentum, and a continuity equation. The fluid annulus between the impeller shroud and pump housing is assumed to be circumferentially symmetric when the impeller is centered; i.e., the clearance can vary along the pump axis but does not vary in the circumferential direction. A perturbation expansion of the governing equations in the eccentricity ratio yields a set of zeroth and first-order governing equations. The zeroth-order equations define the leaking rate and the circumferential and path velocity distributions and pressure distributions for a centered impeller position. The first-order equations define the perturbations in the velocity and pressure distributions due to either a radial-displacement perturbation or a tilt perturbation of the impeller. Integration of the perturbed pressure and shear-stress distribution acting on the rotor yields the reaction forces and moments acting on the impeller face.

Impact of transverse and longitudinal dispersion on first-order degradation rate constant estimation

NASA Astrophysics Data System (ADS)

Stenback, Greg A.; Ong, Say Kee; Rogers, Shane W.; Kjartanson, Bruce H.

2004-09-01

A two-dimensional analytical model is employed for estimating the first-order degradation rate constant of hydrophobic organic compounds (HOCs) in contaminated groundwater under steady-state conditions. The model may utilize all aqueous concentration data collected downgradient of a source area, but does not require that any data be collected along the plume centerline. Using a least squares fit of the model to aqueous concentrations measured in monitoring wells, degradation rate constants were estimated at a former manufactured gas plant (FMGP) site in the Midwest U.S. The estimated degradation rate constants are 0.0014, 0.0034, 0.0031, 0.0019, and 0.0053 day -1 for acenaphthene, naphthalene, benzene, ethylbenzene, and toluene, respectively. These estimated rate constants were as low as one-half those estimated with the one-dimensional (centerline) approach of Buscheck and Alcantar [Buscheck, T.E., Alcantar, C.M., 1995. Regression techniques and analytical solutions to demonstrate intrinsic bioremediation. In: Hinchee, R.E., Wilson, J.T., Downey, D.C. (Eds.), Intrinsic Bioremediation, Battelle Press, Columbus, OH, pp. 109-116] which does not account for transverse dispersivity. Varying the transverse and longitudinal dispersivity values over one order of magnitude for toluene data obtained from the FMGP site resulted in nearly a threefold variation in the estimated degradation rate constant—highlighting the importance of reliable estimates of the dispersion coefficients for obtaining reasonable estimates of the degradation rate constants. These results have significant implications for decision making and site management where overestimation of a degradation rate may result in remediation times and bioconversion factors that exceed expectations. For a complex source area or non-steady-state plume, a superposition of analytical models that incorporate longitudinal and transverse dispersion and time may be used at sites where the centerline method would not be applicable.

Full-dimensional Quantum Calculations of Rovibrational Transitions in CS induced by H2

NASA Astrophysics Data System (ADS)

Yang, Benhui; Zhang, Peng; Stancil, Phillip; Bowman, J.; Balakrishnan, N.; Forrey, R.

2017-04-01

Carbon monosulfide (CS), the sulfur analogue of carbon monoxide, has been widely observed in a variety interstellar regions. An accurate prediction of its abundance requires collisional rate coefficients with ambient gases. However, the collisional rate coefficients are largely unknown and primarily rely on theoretical scattering calculations. In interstellar clouds, the dominant collision partner is H2. Rate coefficient data on CS-H2 collisions are limited to pure rotational transitions and no data exist for rovibrational transitions. In this work we evaluate the first full-dimensional potential energy surface for the CS-H2 system using high-level electronic structure theory and perform explicit quantum close-coupling calculations of rovibrational transitions in CS induced by H2 collisions. Cross sections and rate coefficients for rotational transitions are compared with previous theoretical results obtained within a rigid-rotor model. For rovibrational transitions, state-to-state rate coefficients are evaluated for several low-lying rotational levels in the first excited vibrational level of CS. Results are presented for both para-H2 and ortho-H2 collision partners. Work at UGA and Emory are supported by NASA Grant No. NNX16AF09G, at UNLV by NSF Grant No. PHY-1505557, and at Penn State by NSF Grant No. PHY-1503615.

Kinetics of the R + NO2 reactions (R = i-C3H7, n-C3H7, s-C4H9, and t-C4H9) in the temperature range 201-489 K.

PubMed

Rissanen, Matti P; Arppe, Suula L; Eskola, Arkke J; Tammi, Matti M; Timonen, Raimo S

2010-04-15

The bimolecular rate coefficients of four alkyl radical reactions with NO(2) have been measured in direct time-resolved experiments. Reactions were studied under pseudo-first-order conditions in a temperature-controlled tubular flow reactor coupled to a laser photolysis/photoionization mass spectrometer (LP-PIMS). The measured reaction rate coefficients are independent of helium bath gas pressure within the experimental ranges covered and exhibit negative temperature dependence. For i-C(3)H(7) + NO(2) and t-C(4)H(9) + NO(2) reactions, the dependence of ordinate (logarithm of reaction rate coefficients) on abscissa (1/T or log(T)) was nonlinear. The obtained results (in cm(3) s(-1)) can be expressed by the following equations: k(n-C(3)H(7) + NO(2)) = ((4.34 +/- 0.08) x 10(-11)) (T/300 K)(-0.14+/-0.08) (203-473 K, 1-7 Torr), k(i-C(3)H(7) + NO(2)) = ((3.66 +/- 2.54) x 10(-12)) exp(656 +/- 201 K/T)(T/300 K)(1.26+/-0.68) (220-489 K, 1-11 Torr), k(s-C(4)H(9) + NO(2)) = ((4.99 +/- 0.16) x 10(-11))(T/300 K)(-1.74+/-0.12) (241-485 K, 2 - 12 Torr) and k(t-C(4)H(9) + NO(2)) = ((8.64 +/- 4.61) x 10(-12)) exp(413 +/- 154 K/T)(T/300 K)(0.51+/-0.55) (201-480 K, 2-11 Torr), where the uncertainties shown refer only to the 1 standard deviations obtained from the fitting procedure. The estimated overall uncertainty in the determined bimolecular rate coefficients is about +/-20%.

Anaerobic biodegradability of fish remains: experimental investigation and parameter estimation.

PubMed

Donoso-Bravo, Andres; Bindels, Francoise; Gerin, Patrick A; Vande Wouwer, Alain

2015-01-01

The generation of organic waste associated with aquaculture fish processing has increased significantly in recent decades. The objective of this study is to evaluate the anaerobic biodegradability of several fish processing fractions, as well as water treatment sludge, for tilapia and sturgeon species cultured in recirculated aquaculture systems. After substrate characterization, the ultimate biodegradability and the hydrolytic rate were estimated by fitting a first-order kinetic model with the biogas production profiles. In general, the first-order model was able to reproduce the biogas profiles properly with a high correlation coefficient. In the case of tilapia, the skin/fin, viscera, head and flesh presented a high level of biodegradability, above 310 mLCH₄gCOD⁻¹, whereas the head and bones showed a low hydrolytic rate. For sturgeon, the results for all fractions were quite similar in terms of both parameters, although viscera presented the lowest values. Both the substrate characterization and the kinetic analysis of the anaerobic degradation may be used as design criteria for implementing anaerobic digestion in a recirculating aquaculture system.

Dynamic characteristics of heart rate control by the autonomic nervous system in rats.

PubMed

Mizuno, Masaki; Kawada, Toru; Kamiya, Atsunori; Miyamoto, Tadayoshi; Shimizu, Shuji; Shishido, Toshiaki; Smith, Scott A; Sugimachi, Masaru

2010-09-01

We estimated the transfer function of autonomic heart rate (HR) control by using random binary sympathetic or vagal nerve stimulation in anaesthetized rats. The transfer function from sympathetic stimulation to HR response approximated a second-order, low-pass filter with a lag time (gain, 4.29 +/- 1.55 beats min(1) Hz(1); natural frequency, 0.07 +/- 0.03 Hz; damping coefficient, 1.96 +/- 0.64; and lag time, 0.73 +/- 0.12 s). The transfer function from vagal stimulation to HR response approximated a first-order, low-pass filter with a lag time (gain, 8.84 +/- 4.51 beats min(1) Hz(1); corner frequency, 0.12 +/- 0.06 Hz; and lag time, 0.12 +/- 0.08 s). These results suggest that the dynamic characteristics of HR control by the autonomic nervous system in rats are similar to those of larger mammals.

Critical role for mesoscale eddy diffusion in supplying oxygen to hypoxic ocean waters

NASA Astrophysics Data System (ADS)

Gnanadesikan, Anand; Bianchi, Daniele; Pradal, Marie-Aude

2013-10-01

of the oceanic lateral eddy diffusion coefficient Aredi vary by more than an order of magnitude, ranging from less than a few hundred m2/s to thousands of m2/s. This uncertainty has first-order implications for the intensity of oceanic hypoxia, which is poorly simulated by the current generation of Earth System Models. Using satellite-based estimate of oxygen consumption in hypoxic waters to estimate the required diffusion coefficient for these waters gives a value of order 1000 m2/s. Varying Aredi across a suite of Earth System Models yields a broadly consistent result given a thermocline diapycnal diffusion coefficient of 1 × 10-5 m2/s.

Design of an all-optical fractional-order differentiator with terahertz bandwidth based on a fiber Bragg grating in transmission.

PubMed

Liu, Xin; Shu, Xuewen

2017-08-20

All-optical fractional-order temporal differentiators with bandwidths reaching terahertz (THz) values are demonstrated with transmissive fiber Bragg gratings. Since the designed fractional-order differentiator is a minimum phase function, the reflective phase of the designed function can be chosen arbitrarily. As examples, we first design several 0.5th-order differentiators with bandwidths reaching the THz range for comparison. The reflective phases of the 0.5th-order differentiators are chosen to be linear phase, quadratic phase, cubic phase, and biquadratic phase, respectively. We find that both the maximum coupling coefficient and the spatial resolution of the designed grating increase when the reflective phase varies from quadratic function to cubic function to biquadratic function. Furthermore, when the reflective phase is chosen to be a quadratic function, the obtained grating coupling coefficient and period are more likely to be achieved in practice. Then we design fractional-order differentiators with different orders when the reflective phase is chosen to be a quadratic function. We see that when the designed order of the differentiator increases, the obtained maximum coupling coefficient also increases while the oscillation of the coupling coefficient decreases. Finally, we give the numerical performance of the designed 0.5th-order differentiator by showing its temporal response and calculating its cross-correlation coefficient.

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

NASA Technical Reports Server (NTRS)

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

2002-01-01

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

The earth's C21 and S21 gravity coefficients and the rotation of the core

NASA Technical Reports Server (NTRS)

Wahr, John M.

1987-01-01

Observational results for the earth's C21 and S21 gravity coefficients can be used to constrain the mean equatorial rotation of the core with respect to the mantle. Current satellite gravity solutions suggest the equatorial rotation rate is no larger than 1 x 10 to the -7th times the earth's diurnal spin rate, a limit more than one order of magnitude smaller than the polar rotation rate inferred from the westward drift of the earth's magnetic field. The next generation gravity solutions should improve this constraint by more than one order of magnitude. Implications for the fluid pressure at the core-mantle boundary and for the shape of that boundary are discussed.

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

NASA Technical Reports Server (NTRS)

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

1983-01-01

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

The construction and validation of an instrument for the assessment of graduates of undergraduate nursing courses 1

PubMed Central

Vieira, Maria Aparecida; Ohara, Conceição Vieira da Silva; de Domenico, Edvane Birelo Lopes

2016-01-01

Abstract Objective: to construct an instrument for the assessment of graduates of undergraduate nursing courses and to validate this instrument through the consensus of specialists. Method: methodological study. In order to elaborate the instrument, documental analysis and a literature review were undertaken. Validation took place through use of the Delphi Conference, between September 2012 and September 2013, in which 36 specialists from Brazilian Nursing participated. In order to analyze reliability, the Cronbach alpha coefficient, the item/total correlation, and the Pearson correlation coefficient were calculated. Results: the instrument was constructed with the participation of specialist nurses representing all regions of Brazil, with experience in lecturing and research. The first Delphi round led to changes in the first instrument, which was restructured and submitted to another round, with a response rate of 94.44%. In the second round, the instrument was validated with a Cronbach alpha of 0.75. Conclusion: the final instrument possessed three dimensions related to the characterization of the graduate, insertion in the job market, and evaluation of the professional training process. This instrument may be used across the territory of Brazil as it is based on the curricular guidelines and contributes to the process of regulation of the quality of the undergraduate courses in Nursing. PMID:27305184

Currency target-zone modeling: An interplay between physics and economics.

PubMed

Lera, Sandro Claudio; Sornette, Didier

2015-12-01

We study the performance of the euro-Swiss franc exchange rate in the extraordinary period from September 6, 2011 to January 15, 2015 when the Swiss National Bank enforced a minimum exchange rate of 1.20 Swiss francs per euro. Within the general framework built on geometric Brownian motions and based on the analogy between Brownian motion in finance and physics, the first-order effect of such a steric constraint would enter a priori in the form of a repulsive entropic force associated with the paths crossing the barrier that are forbidden. Nonparametric empirical estimates of drift and volatility show that the predicted first-order analogy between economics and physics is incorrect. The clue is to realize that the random-walk nature of financial prices results from the continuous anticipation of traders about future opportunities, whose aggregate actions translate into an approximate efficient market with almost no arbitrage opportunities. With the Swiss National Bank's stated commitment to enforce the barrier, traders' anticipation of this action leads to a vanishing drift together with a volatility of the exchange rate that depends on the distance to the barrier. This effect is described by Krugman's model [P. R. Krugman, Target zones and exchange rate dynamics, Q. J. Econ. 106, 669 (1991)]. We present direct quantitative empirical evidence that Krugman's theoretical model provides an accurate description of the euro-Swiss franc target zone. Motivated by the insights from the economic model, we revise the initial economics-physics analogy and show that, within the context of hindered diffusion, the two systems can be described with the same mathematics after all. Using a recently proposed extended analogy in terms of a colloidal Brownian particle embedded in a fluid of molecules associated with the underlying order book, we derive that, close to the restricting boundary, the dynamics of both systems is described by a stochastic differential equation with a very small constant drift and a linear diffusion coefficient. As a side result, we present a simplified derivation of the linear hydrodynamic diffusion coefficient of a Brownian particle close to a wall.

Currency target-zone modeling: An interplay between physics and economics

NASA Astrophysics Data System (ADS)

Lera, Sandro Claudio; Sornette, Didier

2015-12-01

We study the performance of the euro-Swiss franc exchange rate in the extraordinary period from September 6, 2011 to January 15, 2015 when the Swiss National Bank enforced a minimum exchange rate of 1.20 Swiss francs per euro. Within the general framework built on geometric Brownian motions and based on the analogy between Brownian motion in finance and physics, the first-order effect of such a steric constraint would enter a priori in the form of a repulsive entropic force associated with the paths crossing the barrier that are forbidden. Nonparametric empirical estimates of drift and volatility show that the predicted first-order analogy between economics and physics is incorrect. The clue is to realize that the random-walk nature of financial prices results from the continuous anticipation of traders about future opportunities, whose aggregate actions translate into an approximate efficient market with almost no arbitrage opportunities. With the Swiss National Bank's stated commitment to enforce the barrier, traders' anticipation of this action leads to a vanishing drift together with a volatility of the exchange rate that depends on the distance to the barrier. This effect is described by Krugman's model [P. R. Krugman, Target zones and exchange rate dynamics, Q. J. Econ. 106, 669 (1991), 10.2307/2937922]. We present direct quantitative empirical evidence that Krugman's theoretical model provides an accurate description of the euro-Swiss franc target zone. Motivated by the insights from the economic model, we revise the initial economics-physics analogy and show that, within the context of hindered diffusion, the two systems can be described with the same mathematics after all. Using a recently proposed extended analogy in terms of a colloidal Brownian particle embedded in a fluid of molecules associated with the underlying order book, we derive that, close to the restricting boundary, the dynamics of both systems is described by a stochastic differential equation with a very small constant drift and a linear diffusion coefficient. As a side result, we present a simplified derivation of the linear hydrodynamic diffusion coefficient of a Brownian particle close to a wall.

Rate coefficients for the gas-phase reaction of the hydroxyl radical with CH2=CHF and CH2=CF2.

PubMed

Baasandorj, Munkhbayar; Knight, Gary; Papadimitriou, Vassileios C; Talukdar, Ranajit K; Ravishankara, A R; Burkholder, James B

2010-04-08

Rate coefficients, k, for the gas-phase reaction of the OH radical with CH(2)=CHF (k(1)) and CH(2)=CF(2) (k(2)) were measured under pseudo-first-order conditions in OH using pulsed laser photolysis to produce OH and laser-induced fluorescence (PLP-LIF) to detect it. Rate coefficients were measured over a range of temperature (220-373 K) and bath gas pressure (20-600 Torr; He, N(2)). The rate coefficients were found to be independent of pressure. The measured rate coefficient for reaction 1 at room temperature was k(1)(296 K) = (5.18 +/- 0.50) x 10(-12) cm(3) molecule(-1) s(-1), independent of pressure, and the temperature dependence is given by the Arrhenius expression k(1)(T) = (1.75 +/- 0.20) x 10(-12) exp[(316 +/- 25)/T] cm(3) molecule(-1) s(-1); the rate coefficients for reaction 2 were k(2)(296 K) = (2.79 +/- 0.25) x 10(-12) cm(3) molecule(-1) s(-1) and k(2)(T) = (1.75 +/- 0.20) x 10(-12) exp[(140 +/- 20)/T] cm(3) molecule(-1) s(-1). The quoted uncertainties are 2sigma (95% confidence level) and include estimated systematic errors. The fall-off parameters for reaction 2 of k(infinity) = 3 x 10(-12) cm(3) molecule(-1) s(-1) and k(0)(296 K) = 1.8 x 10(-28) cm(6) molecule(-2) s(-1) with F(c) = 0.6 reproduce the room temperature data obtained in this study combined with the low pressure rate coefficient data from Howard (J. Chem. Phys. 1976, 65, 4771). OH radical formation was observed for reactions 1 and 2 in the presence of O(2), and the mechanism was investigated using (18)OH and OD rate coefficient measurements with CH(2)=CHF and CH(2)=CF(2) over a range of temperature (260-373 K) and pressure (20-100 Torr, He). Quantum chemical calculations using density functional theory (DFT) were used to determine the geometries and energies of the reactants and adducts formed in reactions 1 and 2 and the peroxy radicals formed following the addition of O(2). The atmospheric lifetimes of CH(2)=CHF and CH(2)=CF(2) due to loss by reaction with OH are approximately 2 and 4 days, respectively. Infrared absorption spectra of CH(2)=CHF and CH(2)=CF(2) were measured, and global warming potentials (GWP) values of 0.7 for CH(2)=CHF and 0.9 for CH(2)=CF(2) were obtained for the 100 year time horizon.

Robust control with structured perturbations

NASA Technical Reports Server (NTRS)

Keel, Leehyun

1988-01-01

Two important problems in the area of control systems design and analysis are discussed. The first is the robust stability using characteristic polynomial, which is treated first in characteristic polynomial coefficient space with respect to perturbations in the coefficients of the characteristic polynomial, and then for a control system containing perturbed parameters in the transfer function description of the plant. In coefficient space, a simple expression is first given for the l(sup 2) stability margin for both monic and non-monic cases. Following this, a method is extended to reveal much larger stability region. This result has been extended to the parameter space so that one can determine the stability margin, in terms of ranges of parameter variations, of the closed loop system when the nominal stabilizing controller is given. The stability margin can be enlarged by a choice of better stabilizing controller. The second problem describes the lower order stabilization problem, the motivation of the problem is as follows. Even though the wide range of stabilizing controller design methodologies is available in both the state space and transfer function domains, all of these methods produce unnecessarily high order controllers. In practice, the stabilization is only one of many requirements to be satisfied. Therefore, if the order of a stabilizing controller is excessively high, one can normally expect to have a even higher order controller on the completion of design such as inclusion of dynamic response requirements, etc. Therefore, it is reasonable to have a lowest possible order stabilizing controller first and then adjust the controller to meet additional requirements. The algorithm for designing a lower order stabilizing controller is given. The algorithm does not necessarily produce the minimum order controller; however, the algorithm is theoretically logical and some simulation results show that the algorithm works in general.

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

NASA Astrophysics Data System (ADS)

Wang, J. F.; Qin, G.; Ma, Q. M.; Song, T.; Yuan, S. B.

2017-08-01

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.

Extending high-order flux operators on spherical icosahedral grids and their application in a Shallow Water Model for transporting the Potential Vorticity

NASA Astrophysics Data System (ADS)

Zhang, Y.

2017-12-01

The unstructured formulation of the third/fourth-order flux operators used by the Advanced Research WRF is extended twofold on spherical icosahedral grids. First, the fifth- and sixth-order flux operators of WRF are further extended, and the nominally second- to sixth-order operators are then compared based on the solid body rotation and deformational flow tests. Results show that increasing the nominal order generally leads to smaller absolute errors. Overall, the fifth-order scheme generates the smallest errors in limited and unlimited tests, although it does not enhance the convergence rate. The fifth-order scheme also exhibits smaller sensitivity to the damping coefficient than the third-order scheme. Overall, the even-order schemes have higher limiter sensitivity than the odd-order schemes. Second, a triangular version of these high-order operators is repurposed for transporting the potential vorticity in a space-time-split shallow water framework. Results show that a class of nominally third-order upwind-biased operators generates better results than second- and fourth-order counterparts. The increase of the potential enstrophy over time is suppressed owing to the damping effect. The grid-scale noise in the vorticity is largely alleviated, and the total energy remains conserved. Moreover, models using high-order operators show smaller numerical errors in the vorticity field because of a more accurate representation of the nonlinear Coriolis term. This improvement is especially evident in the Rossby-Haurwitz wave test, in which the fluid is highly rotating. Overall, flux operators with higher damping coefficients, which essentially behaves like the Anticipated Potential Vorticity Method, present optimal results.

Biodegradation of organic chemicals in soil/water microcosms system: Model development

USGS Publications Warehouse

Liu, L.; Tindall, J.A.; Friedel, M.J.; Zhang, W.

2007-01-01

The chemical interactions of hydrophobic organic contaminants with soils and sediments may result in strong binding and slow subsequent release rates that significantly affect remediation rates and endpoints. In order to illustrate the recalcitrance of chemical to degradation on sites, a sorption mechanism of intraparticle sequestration was postulated to operate on chemical remediation sites. Pseudo-first order sequestration kinetics is used in the study with the hypothesis that sequestration is an irreversibly surface-mediated process. A mathematical model based on mass balance equations was developed to describe the fate of chemical degradation in soil/water microcosm systems. In the model, diffusion was represented by Fick's second law, local sorption-desorption by a linear isotherm, irreversible sequestration by a pseudo-first order kinetics and biodegradation by Monod kinetics. Solutions were obtained to provide estimates of chemical concentrations. The mathematical model was applied to a benzene biodegradation batch test and simulated model responses correlated well compared to measurements of biodegradation of benzene in the batch soil/water microcosm system. A sensitivity analysis was performed to assess the effects of several parameters on model behavior. Overall chemical removal rate decreased and sequestration increased quickly with an increase in the sorption partition coefficient. When soil particle radius, a, was greater than 1 mm, an increase in radius produced a significant decrease in overall chemical removal rate as well as an increase in sequestration. However, when soil particle radius was less than 0.1 mm, an increase in radius resulted in small changes in the removal rate and sequestration. As pseudo-first order sequestration rate increased, both chemical removal rate and sequestration increased slightly. Model simulation results showed that desorption resistance played an important role in the bioavailability of organic chemicals in porous media. Complete biostabilization of chemicals on remediation sites can be achieved when the concentration of the reversibly sorbed chemical reduces to zero (i.e., undetectable), with a certain amount of irreversibly sequestrated chemical left inside the soil particle solid phase. ?? 2006 Springer Science + Business Media B.V.

Role of protein fluctuation correlations in electron transfer in photosynthetic complexes.

PubMed

Nesterov, Alexander I; Berman, Gennady P

2015-04-01

We consider the dependence of the electron transfer in photosynthetic complexes on correlation properties of random fluctuations of the protein environment. The electron subsystem is modeled by a finite network of connected electron (exciton) sites. The fluctuations of the protein environment are modeled by random telegraph processes, which act either collectively (correlated) or independently (uncorrelated) on the electron sites. We derived an exact closed system of first-order linear differential equations with constant coefficients, for the average density matrix elements and for their first moments. Under some conditions, we obtained analytic expressions for the electron transfer rates and found the range of parameters for their applicability by comparing with the exact numerical simulations. We also compared the correlated and uncorrelated regimes and demonstrated numerically that the uncorrelated fluctuations of the protein environment can, under some conditions, either increase or decrease the electron transfer rates.

Using Fit Indexes to Select a Covariance Model for Longitudinal Data

ERIC Educational Resources Information Center

Liu, Siwei; Rovine, Michael J.; Molenaar, Peter C. M.

2012-01-01

This study investigated the performance of fit indexes in selecting a covariance structure for longitudinal data. Data were simulated to follow a compound symmetry, first-order autoregressive, first-order moving average, or random-coefficients covariance structure. We examined the ability of the likelihood ratio test (LRT), root mean square error…

Removal of Congo Red from Aqueous Solution by Anion Exchange Membrane (EBTAC): Adsorption Kinetics and Themodynamics.

PubMed

Khan, Muhammad Imran; Akhtar, Shahbaz; Zafar, Shagufta; Shaheen, Aqeela; Khan, Muhammad Ali; Luque, Rafael; Rehman, Aziz Ur

2015-07-08

The adsorption behavior of anionic dye congo red (CR) from aqueous solutions using an anion exchange membrane (EBTAC) has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy ( ∆G° ), enthalpy ( ∆H° ) and entropy ( ∆S° ) were calculated for the adsorption of congo red, indicating an exothermic process.

Removal of Congo Red from Aqueous Solution by Anion Exchange Membrane (EBTAC): Adsorption Kinetics and Themodynamics

PubMed Central

Khan, Muhammad Imran; Akhtar, Shahbaz; Zafar, Shagufta; Shaheen, Aqeela; Khan, Muhammad Ali; Luque, Rafael; ur Rehman, Aziz

2015-01-01

The adsorption behavior of anionic dye congo red (CR) from aqueous solutions using an anion exchange membrane (EBTAC) has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) were calculated for the adsorption of congo red, indicating an exothermic process. PMID:28793430

Assessing Chemical Retention Process Controls in Ponds

NASA Astrophysics Data System (ADS)

Torgersen, T.; Branco, B.; John, B.

2002-05-01

Small ponds are a ubiquitous component of the landscape and have earned a reputation as effective chemical retention devices. The most common characterization of pond chemical retention is the retention coefficient, Ri= ([Ci]inflow-[Ci] outflow)/[Ci]inflow. However, this parameter varies widely in one pond with time and among ponds. We have re-evaluated literature reported (Borden et al., 1998) monthly average retention coefficients for two ponds in North Carolina. Employing a simple first order model that includes water residence time, the first order process responsible for species removal have been separated from the water residence time over which it acts. Assuming the rate constant for species removal is constant within the pond (arguable at least), the annual average rate constant for species removal is generated. Using the annual mean rate constant for species removal and monthly water residence times results in a significantly enhanced predictive capability for Davis Pond during most months of the year. Predictive ability remains poor in Davis Pond during winter/unstratified periods when internal loading of P and N results in low to negative chemical retention. Predictive ability for Piedmont Pond (which has numerous negative chemical retention periods) is improved but not to the same extent as Davis Pond. In Davis Pond, the rate constant for sediment removal (each month) is faster than the rate constant for water and explains the good predictability for sediment retention. However, the removal rate constant for P and N is slower than the removal rate constant for sediment (longer water column residence time for P,N than for sediment). Thus sedimentation is not an overall control on nutrient retention. Additionally, the removal rate constant for P is slower than for TOC (TOC is not the dominate removal process for P) and N is removed slower than P (different in pond controls). For Piedmont Pond, sediment removal rate constants are slower than the removal rate constant for water indicating significant sediment resuspension episodes. It appears that these sediment resuspension events are aperiodic and control the loading and the chemical retention capability of Piedmont Pond for N,P,TOC. These calculated rate constants reflect the differing internal loading processes for each component and suggest means and mechanisms for the use of ponds in water quality management.

Nonlinear absorption of Sb-based phase change materials due to the weakening of the resonant bond

NASA Astrophysics Data System (ADS)

Liu, Shuang; Wei, Jingsong; Gan, Fuxi

2012-03-01

The current study proposes a model based on the weakening of the resonant bond to explore the giant optical nonlinear saturable absorption of Sb-based phase change materials. In order to analyze the weakening of resonant bond effectively, we take the Sb2Te3 as an example. First-principle calculations show that both the Born effective charge and optical dielectric constant of crystalline Sb2Te3 in the 300 K to 500 K temperature range monotonically decrease with the temperature, indicating a weakening of the resonant bond. This weakening induces a decline in the absorption coefficient at a rate of 103 m-1 K-1, which results in a nonlinear saturable absorption coefficient in the order of 10-2 m/W. The nonlinear absorption characteristics of the crystalline Sb, Sb7Te3, and Sb2Te3 thin films at 405 nm laser wavelength are measured via z-scan technique using nanosecond laser pulses to validate the above-proposed model. The experimental results are in good agreement with theoretical prediction.

Inverse modeling of BTEX dissolution and biodegradation at the Bemidji, MN crude-oil spill site

USGS Publications Warehouse

Essaid, H.I.; Cozzarelli, I.M.; Eganhouse, R.P.; Herkelrath, W.N.; Bekins, B.A.; Delin, G.N.

2003-01-01

The U.S. Geological Survey (USGS) solute transport and biodegradation code BIOMOC was used in conjunction with the USGS universal inverse modeling code UCODE to quantify field-scale hydrocarbon dissolution and biodegradation at the USGS Toxic Substances Hydrology Program crude-oil spill research site located near Bemidji, MN. This inverse modeling effort used the extensive historical data compiled at the Bemidji site from 1986 to 1997 and incorporated a multicomponent transport and biodegradation model. Inverse modeling was successful when coupled transport and degradation processes were incorporated into the model and a single dissolution rate coefficient was used for all BTEX components. Assuming a stationary oil body, we simulated benzene, toluene, ethylbenzene, m,p-xylene, and o-xylene (BTEX) concentrations in the oil and ground water, respectively, as well as dissolved oxygen. Dissolution from the oil phase and aerobic and anaerobic degradation processes were represented. The parameters estimated were the recharge rate, hydraulic conductivity, dissolution rate coefficient, individual first-order BTEX anaerobic degradation rates, and transverse dispersivity. Results were similar for simulations obtained using several alternative conceptual models of the hydrologic system and biodegradation processes. The dissolved BTEX concentration data were not sufficient to discriminate between these conceptual models. The calibrated simulations reproduced the general large-scale evolution of the plume, but did not reproduce the observed small-scale spatial and temporal variability in concentrations. The estimated anaerobic biodegradation rates for toluene and o-xylene were greater than the dissolution rate coefficient. However, the estimated anaerobic biodegradation rates for benzene, ethylbenzene, and m,p-xylene were less than the dissolution rate coefficient. The calibrated model was used to determine the BTEX mass balance in the oil body and groundwater plume. Dissolution from the oil body was greatest for compounds with large effective solubilities (benzene) and with large degradation rates (toluene and o-xylene). Anaerobic degradation removed 77% of the BTEX that dissolved into the water phase and aerobic degradation removed 17%. Although goodness-of-fit measures for the alternative conceptual models were not significantly different, predictions made with the models were quite variable. ?? 2003 Elsevier Science B.V. All rights reserved.

A boundary-value problem for a first-order hyperbolic system in a two-dimensional domain

NASA Astrophysics Data System (ADS)

Zhura, N. A.; Soldatov, A. P.

2017-06-01

We consider a strictly hyperbolic first-order system of three equations with constant coefficients in a bounded piecewise-smooth domain. The boundary of the domain is assumed to consist of six smooth non-characteristic arcs. A boundary-value problem in this domain is posed by alternately prescribing one or two linear combinations of the components of the solution on these arcs. We show that this problem has a unique solution under certain additional conditions on the coefficients of these combinations, the boundary of the domain and the behaviour of the solution near the characteristics passing through the corner points of the domain.

New potential energy surface for the HCS{sup +}–He system and inelastic rate coefficients

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2015-07-28

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

A third-order computational method for numerical fluxes to guarantee nonnegative difference coefficients for advection-diffusion equations in a semi-conservative form

NASA Astrophysics Data System (ADS)

Sakai, K.; Watabe, D.; Minamidani, T.; Zhang, G. S.

2012-10-01

According to Godunov theorem for numerical calculations of advection equations, there exist no higher-order schemes with constant positive difference coefficients in a family of polynomial schemes with an accuracy exceeding the first-order. We propose a third-order computational scheme for numerical fluxes to guarantee the non-negative difference coefficients of resulting finite difference equations for advection-diffusion equations in a semi-conservative form, in which there exist two kinds of numerical fluxes at a cell surface and these two fluxes are not always coincident in non-uniform velocity fields. The present scheme is optimized so as to minimize truncation errors for the numerical fluxes while fulfilling the positivity condition of the difference coefficients which are variable depending on the local Courant number and diffusion number. The feature of the present optimized scheme consists in keeping the third-order accuracy anywhere without any numerical flux limiter. We extend the present method into multi-dimensional equations. Numerical experiments for advection-diffusion equations showed nonoscillatory solutions.

Combined temperature and density series for fluid-phase properties. I. Square-well spheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elliott, J. Richard; Schultz, Andrew J.; Kofke, David A.

Cluster integrals are evaluated for the coefficients of the combined temperature- and density-expansion of pressure: Z = 1 + B{sub 2}(β) η + B{sub 3}(β) η{sup 2} + B{sub 4}(β) η{sup 3} + ⋯, where Z is the compressibility factor, η is the packing fraction, and the B{sub i}(β) coefficients are expanded as a power series in reciprocal temperature, β, about β = 0. The methodology is demonstrated for square-well spheres with λ = [1.2-2.0], where λ is the well diameter relative to the hard core. For this model, the B{sub i} coefficients can be expressed in closed form asmore » a function of β, and we develop appropriate expressions for i = 2-6; these expressions facilitate derivation of the coefficients of the β series. Expanding the B{sub i} coefficients in β provides a correspondence between the power series in density (typically called the virial series) and the power series in β (typically called thermodynamic perturbation theory, TPT). The coefficients of the β series result in expressions for the Helmholtz energy that can be compared to recent computations of TPT coefficients to fourth order in β. These comparisons show good agreement at first order in β, suggesting that the virial series converges for this term. Discrepancies for higher-order terms suggest that convergence of the density series depends on the order in β. With selection of an appropriate approximant, the treatment of Helmholtz energy that is second order in β appears to be stable and convergent at least to the critical density, but higher-order coefficients are needed to determine how far this behavior extends into the liquid.« less

Time-varying sliding-coefficient-based decoupled terminal sliding-mode control for a class of fourth-order systems.

PubMed

Bayramoglu, Husnu; Komurcugil, Hasan

2014-07-01

A time-varying sliding-coefficient-based decoupled terminal sliding mode control strategy is presented for a class of fourth-order systems. First, the fourth-order system is decoupled into two second-order subsystems. The sliding surface of each subsystem was designed by utilizing time-varying coefficients. Then, the control target of one subsystem to another subsystem was embedded. Thereafter, a terminal sliding mode control method was utilized to make both subsystems converge to their equilibrium points in finite time. The simulation results on the inverted pendulum system demonstrate that the proposed method exhibits a considerable improvement in terms of a faster dynamic response and lower IAE and ITAE values as compared with the existing decoupled control methods. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Estimating inelastic heavy-particle - hydrogen collision data. II. Simplified model for ionic collisions and application to barium-hydrogen ionic collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-12-01

Aims: A simplified model is derived for estimating rate coefficients for inelastic processes in low-energy collisions of heavy particles with hydrogen, in particular, the rate coefficients with high and moderate values. Such processes are important for non-local thermodynamic equilibrium modeling of cool stellar atmospheres. Methods: The derived method is based on the asymptotic approach for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: It is found that the rate coefficients are expressed via statistical probabilities and reduced rate coefficients. It is shown that the reduced rate coefficients for neutralization and ion-pair formation processes depend on single electronic bound energies of an atomic particle, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to barium-hydrogen ionic collisions. For the first time, rate coefficients are evaluated for inelastic processes in Ba+ + H and Ba2+ + H- collisions for all transitions between the states from the ground and up to and including the ionic state. Tables with calculated data are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/608/A33

Estimating inelastic heavy-particle-hydrogen collision data. I. Simplified model and application to potassium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-10-01

Aims: We derive a simplified model for estimating atomic data on inelastic processes in low-energy collisions of heavy-particles with hydrogen, in particular for the inelastic processes with high and moderate rate coefficients. It is known that these processes are important for non-LTE modeling of cool stellar atmospheres. Methods: Rate coefficients are evaluated using a derived method, which is a simplified version of a recently proposed approach based on the asymptotic method for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: The rate coefficients are found to be expressed via statistical probabilities and reduced rate coefficients. It turns out that the reduced rate coefficients for mutual neutralization and ion-pair formation processes depend on single electronic bound energies of an atom, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to potassium-hydrogen collisions. For the first time, rate coefficients are evaluated for inelastic processes in K+H and K++H- collisions for all transitions from ground states up to and including ionic states. Tables with calculated data are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/606/A147

Do large rate coefficients for ion-polar neutral reactions have a serious effect on chemical models of dense clouds?

NASA Technical Reports Server (NTRS)

Herbst, E.; Leung, C. M.

1986-01-01

In order to incorporate large ion-polar neutral rate coefficients into existing gas phase reaction networks, it is necessary to utilize simplified theoretical treatments because of the significant number of rate coefficients needed. The authors have used two simple theoretical treatments: the locked dipole approach of Moran and Hamill for linear polar neutrals and the trajectory scaling approach of Su and Chesnavich for nonlinear polar neutrals. The former approach is suitable for linear species because in the interstellar medium these are rotationally relaxed to a large extent and the incoming charged reactants can lock their dipoles into the lowest energy configuration. The latter approach is a better approximation for nonlinear neutral species, in which rotational relaxation is normally less severe and the incoming charged reactants are not as effective at locking the dipoles. The treatments are in reasonable agreement with more detailed long range theories and predict an inverse square root dependence on kinetic temperature for the rate coefficient. Compared with the locked dipole method, the trajectory scaling approach results in rate coefficients smaller by a factor of approximately 2.5.

A contribution toward rational modeling of the pressure-strain-rate correlation

NASA Technical Reports Server (NTRS)

Lee, Moon Joo

1990-01-01

A novel method of obtaining an analytical expression of the 'linear part' of the pressure-strain-rate tensor in terms of the anisotropy tensor of the Reynolds stresses has been developed, where the coefficients of the seven independent tensor terms are functions of the invariants of the Reynolds-stress anisotropy. The coefficients are evaluated up to fourth order in the anisotropy of the Reynolds stresses to provide guidance for development of a turbulence model.

Production of photons in relativistic heavy-ion collisions

DOE PAGES

Jean -Francois Paquet; Denicol, Gabriel S.; Shen, Chun; ...

2016-04-18

In this work it is shown that the use of a hydrodynamical model of heavy-ion collisions which incorporates recent developments, together with updated photon emission rates, greatly improves agreement with both ALICE and PHENIX measurements of direct photons, supporting the idea that thermal photons are the dominant source of direct photon momentum anisotropy. The event-by-event hydrodynamical model uses the impact parameter dependent Glasma model (IP-Glasma) initial states and includes, for the first time, both shear and bulk viscosities, along with second-order couplings between the two viscosities. Furthermore, the effect of both shear and bulk viscosities on the photon rates ismore » studied, and those transport coefficients are shown to have measurable consequences on the photon momentum anisotropy.« less

OH + (E)- and (Z)-1-chloro-3,3,3-trifluoropropene-1 (CF3CH═CHCl) reaction rate coefficients: stereoisomer-dependent reactivity.

PubMed

Gierczak, Tomasz; Baasandorj, M; Burkholder, James B

2014-11-20

Rate coefficients for the gas-phase reaction of the OH radical with (E)- and (Z)-CF3CH═CHCl (1-chloro-3,3,3-trifluoropropene-1, HFO-1233zd) (k1(T) and k2(T), respectively) were measured under pseudo-first-order conditions in OH over the temperature range 213-376 K. OH was produced by pulsed laser photolysis, and its temporal profile was measured using laser-induced fluorescence. The obtained rate coefficients were independent of pressure between 25 and 100 Torr (He, N2) with k1(296 K) = (3.76 ± 0.35) × 10(-13) cm(3) molecule(-1) s(-1) and k2(296 K) = (9.46 ± 0.85) × 10(-13) cm(3) molecule(-1) s(-1) (quoted uncertainties are 2σ and include estimated systematic errors). k2(T) showed a weak non-Arrhenius behavior over this temperature range. The (E)- and (Z)- stereoisomer rate coefficients were found to have opposite temperature dependencies that are well represented by k1(T) = (1.14 ± 0.15) × 10(-12) exp[(-330 ± 10)/T] cm(3) molecule(-1) s(-1) and k2(T) = (7.22 ± 0.65) × 10(-19) × T(2) × exp[(800 ± 20)/T] cm(3) molecule(-1) s(-1). The present results are compared with a previous room temperature relative rate coefficient study of k1, and an explanation for the discrepancy is presented. CF3CHO, HC(O)Cl, and CF3CClO, were observed as stable end-products following the OH radical initiated degradation of (E)- and (Z)-CF3CH═CHCl in the presence of O2. In addition, chemically activated isomerization was also observed. Atmospheric local lifetimes of (E)- and (Z)-CF3CH═CHCl, due to OH reactive loss, were estimated to be ∼34 and ∼11 days, respectively. Infrared absorption spectra measured in this work were used to estimate radiative efficiencies and well-mixed global warming potentials of ∼10 and ∼3 for (E)- and (Z)-CF3CH═CHCl, respectively, on the 100-year time horizon.

Arbitrary-order corrections for finite-time drift and diffusion coefficients

NASA Astrophysics Data System (ADS)

Anteneodo, C.; Riera, R.

2009-09-01

We address a standard class of diffusion processes with linear drift and quadratic diffusion coefficients. These contributions to dynamic equations can be directly drawn from data time series. However, real data are constrained to finite sampling rates and therefore it is crucial to establish a suitable mathematical description of the required finite-time corrections. Based on Itô-Taylor expansions, we present the exact corrections to the finite-time drift and diffusion coefficients. These results allow to reconstruct the real hidden coefficients from the empirical estimates. We also derive higher-order finite-time expressions for the third and fourth conditional moments that furnish extra theoretical checks for this class of diffusion models. The analytical predictions are compared with the numerical outcomes of representative artificial time series.

Estimating Ordinal Reliability for Likert-Type and Ordinal Item Response Data: A Conceptual, Empirical, and Practical Guide

ERIC Educational Resources Information Center

Gadermann, Anne M.; Guhn, Martin; Zumbo, Bruno D.

2012-01-01

This paper provides a conceptual, empirical, and practical guide for estimating ordinal reliability coefficients for ordinal item response data (also referred to as Likert, Likert-type, ordered categorical, or rating scale item responses). Conventionally, reliability coefficients, such as Cronbach's alpha, are calculated using a Pearson…

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

PubMed

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

2012-07-14

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

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

NASA Astrophysics Data System (ADS)

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

2012-07-01

In a previous paper [P. G. Jambrina et al., J. Chem. Phys. 135, 034310 (2011), 10.1063/1.3611400] various calculations of the rate coefficient for the Mu + H2 → MuH + H reaction were presented and compared to experiment. The widely used standard quasiclassical trajectory (QCT) method was shown to overestimate the rate coefficients by several orders of magnitude over the temperature range 200-1000 K. This was attributed to a major failure of that method to describe the correct threshold for the reaction owing to the large difference in zero-point energies (ZPE) of the reactant H2 and product MuH (˜0.32 eV). In this Communication we show that by performing standard QCT calculations for the reverse reaction and then applying detailed balance, the resulting rate coefficient is in very good agreement with the other computational results that respect the ZPE, (as well as with the experiment) but which are more demanding computationally.

Laboratory Studies of Chemical and Photochemical Processes Relevant to Stratospheric Ozone

NASA Technical Reports Server (NTRS)

Villalta, P. W.; Zahniser, M. S.; Nelson, D. D.; Kolb, C. E.

1998-01-01

This is the final report for this project. Its purpose is to reduce the uncertainty in rate coefficients for key gas-phase kinetic processes which impact our understanding of stratospheric ozone. The main emphasis of this work is on measuring the rate coefficients for the reactions of HO2 + O3, and HO2 + NO2 in the temperature range (200-240 K) relevant to the lower stratosphere. In order to accomplish this, a high pressure turbulent flow tube reactor was built and its flow characteristics were quantified. The instrument was coupled with tunable diode laser spectroscopy for HO2 detection. Room temperature measurements of the HO2 + NO2 rate coefficients over the pressure range of 50-300 torr agree well with previous measurements. Preliminary measurements of the HO2 + O, rate coefficients at 50 - 300 Torr over the temperature range of 208-294 K agree with the NASA evaluation from 294-225 K but deviate significantly (50 % higher) at approximately 210 K.

Reduced basis technique for evaluating the sensitivity coefficients of the nonlinear tire response

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Tanner, John A.; Peters, Jeanne M.

1992-01-01

An efficient reduced-basis technique is proposed for calculating the sensitivity of nonlinear tire response to variations in the design variables. The tire is modeled using a 2-D, moderate rotation, laminated anisotropic shell theory, including the effects of variation in material and geometric parameters. The vector of structural response and its first-order and second-order sensitivity coefficients are each expressed as a linear combination of a small number of basis vectors. The effectiveness of the basis vectors used in approximating the sensitivity coefficients is demonstrated by a numerical example involving the Space Shuttle nose-gear tire, which is subjected to uniform inflation pressure.

Prediction of random-regression coefficient for daily milk yield after 305 days in milk by using the regression-coefficient estimates from the first 305 days.

PubMed

Yamazaki, Takeshi; Takeda, Hisato; Hagiya, Koichi; Yamaguchi, Satoshi; Sasaki, Osamu

2018-03-13

Because lactation periods in dairy cows lengthen with increasing total milk production, it is important to predict individual productivities after 305 days in milk (DIM) to determine the optimal lactation period. We therefore examined whether the random regression (RR) coefficient from 306 to 450 DIM (M2) can be predicted from those during the first 305 DIM (M1) by using a random regression model. We analyzed test-day milk records from 85690 Holstein cows in their first lactations and 131727 cows in their later (second to fifth) lactations. Data in M1 and M2 were analyzed separately by using different single-trait RR animal models. We then performed a multiple regression analysis of the RR coefficients of M2 on those of M1 during the first and later lactations. The first-order Legendre polynomials were practical covariates of random regression for the milk yields of M2. All RR coefficients for the additive genetic (AG) effect and the intercept for the permanent environmental (PE) effect of M2 had moderate to strong correlations with the intercept for the AG effect of M1. The coefficients of determination for multiple regression of the combined intercepts for the AG and PE effects of M2 on the coefficients for the AG effect of M1 were moderate to high. The daily milk yields of M2 predicted by using the RR coefficients for the AG effect of M1 were highly correlated with those obtained by using the coefficients of M2. Milk production after 305 DIM can be predicted by using the RR coefficient estimates of the AG effect during the first 305 DIM.

High-Order Model and Dynamic Filtering for Frame Rate Up-Conversion.

PubMed

Bao, Wenbo; Zhang, Xiaoyun; Chen, Li; Ding, Lianghui; Gao, Zhiyong

2018-08-01

This paper proposes a novel frame rate up-conversion method through high-order model and dynamic filtering (HOMDF) for video pixels. Unlike the constant brightness and linear motion assumptions in traditional methods, the intensity and position of the video pixels are both modeled with high-order polynomials in terms of time. Then, the key problem of our method is to estimate the polynomial coefficients that represent the pixel's intensity variation, velocity, and acceleration. We propose to solve it with two energy objectives: one minimizes the auto-regressive prediction error of intensity variation by its past samples, and the other minimizes video frame's reconstruction error along the motion trajectory. To efficiently address the optimization problem for these coefficients, we propose the dynamic filtering solution inspired by video's temporal coherence. The optimal estimation of these coefficients is reformulated into a dynamic fusion of the prior estimate from pixel's temporal predecessor and the maximum likelihood estimate from current new observation. Finally, frame rate up-conversion is implemented using motion-compensated interpolation by pixel-wise intensity variation and motion trajectory. Benefited from the advanced model and dynamic filtering, the interpolated frame has much better visual quality. Extensive experiments on the natural and synthesized videos demonstrate the superiority of HOMDF over the state-of-the-art methods in both subjective and objective comparisons.

Texture analysis of apparent diffusion coefficient maps for treatment response assessment in prostate cancer bone metastases-A pilot study.

PubMed

Reischauer, Carolin; Patzwahl, René; Koh, Dow-Mu; Froehlich, Johannes M; Gutzeit, Andreas

2018-04-01

To evaluate whole-lesion volumetric texture analysis of apparent diffusion coefficient (ADC) maps for assessing treatment response in prostate cancer bone metastases. Texture analysis is performed in 12 treatment-naïve patients with 34 metastases before treatment and at one, two, and three months after the initiation of androgen deprivation therapy. Four first-order and 19 second-order statistical texture features are computed on the ADC maps in each lesion at every time point. Repeatability, inter-patient variability, and changes in the feature values under therapy are investigated. Spearman rank's correlation coefficients are calculated across time to demonstrate the relationship between the texture features and the serum prostate specific antigen (PSA) levels. With few exceptions, the texture features exhibited moderate to high precision. At the same time, Friedman's tests revealed that all first-order and second-order statistical texture features changed significantly in response to therapy. Thereby, the majority of texture features showed significant changes in their values at all post-treatment time points relative to baseline. Bivariate analysis detected significant correlations between the great majority of texture features and the serum PSA levels. Thereby, three first-order and six second-order statistical features showed strong correlations with the serum PSA levels across time. The findings in the present work indicate that whole-tumor volumetric texture analysis may be utilized for response assessment in prostate cancer bone metastases. The approach may be used as a complementary measure for treatment monitoring in conjunction with averaged ADC values. Copyright © 2018 Elsevier B.V. All rights reserved.

PubMed

Brosseau, Lucie; Laroche, Chantal; Guitard, Paulette; King, Judy; Poitras, Stéphane; Casimiro, Lynn; Barette, Julie Alexandra; Cardinal, Dominique; Cavallo, Sabrina; Laferrière, Lucie; Martini, Rose; Champoux, Nicholas; Taverne, Jennifer; Paquette, Chanyque; Tremblay, Sébastien; Sutton, Ann; Galipeau, Roseline; Tourigny, Jocelyne; Toupin-April, Karine; Loew, Laurianne; Demers, Catrine; Sauvé-Schenk, Katrine; Paquet, Nicole; Savard, Jacinthe; Lagacé, Josée; Pharand, Denyse; Vaillancourt, Véronique

2017-01-01

Objectives: The primary objective was to produce a French-Canadian translation of AMSTAR (a measurement tool to assess systematic reviews) and to examine the validity of the translation's contents. The secondary and tertiary objectives were to assess the inter-rater reliability and factorial construct validity of this French-Canadian version of AMSTAR. Methods: A modified approach to Vallerand's methodology (1989) for cross-cultural validation was used. 1 First, a parallel back-translation of AMSTAR 2 was performed, by both professionals and future professionals. Next, a first committee of experts (P1) examined the translations to create a first draft of the French-Canadian version of the AMSTAR tool. This draft was then evaluated and modified by a second committee of experts (P2). Following that, 18 future professionals (master's students in physiotherapy) rated this second draft of the instrument for clarity using a seven-point scale (1: very clear; 7: very ambiguous). Lastly, the principal co-investigators then reviewed the problematic elements and proposed final changes. Four independent raters used this French-Canadian version of AMSTAR to assess 20 systematic reviews that were published in French after the year 2000. An intraclass correlation coefficient (ICC) and kappa coefficient were calculated to measure the tool's inter-rater reliability. A Cronbach's alpha coefficient was also calculated to measure internal consistency. In addition, factor analysis was used to evaluate construct validity in order to determine the number of dimensions. Results: The statements on the final version of the AMSTAR tool received an average ambiguity rating of between 1.0 and 1.4. No statement received an average rating below 1.4, which indicates a high level of clarity. Inter-rater reliability ( n =4) for the instrument's total score was moderate, with an intraclass correlation coefficient of 0.61 (95% confidence interval [CI]: 0.29, 0.97). Inter-rater reliability for 82% of the individual items was good, according to the kappa values obtained. Internal consistency was excellent, with a Cronbach's alpha coefficient of 0.91 (95% CI: 0.83, 0.99). The French-Canadian version of AMSTAR is a unidimensional tool, as confirmed by factor analysis and community values greater than 0.30. Conclusion: A valid French-Canadian version of AMSTAR was created using this rigorous five-step process. This version is unidimensional, with moderate inter-rater reliability for the elements overall, and with excellent internal consistency. This tool could be valuable to French-Canadian professionals and researchers, and could also be of interest to the international Francophone community.

Behavior of accidentally released radiocesium in soil-water environment: Looking at Fukushima from a Chernobyl perspective.

PubMed

Konoplev, A; Golosov, V; Laptev, G; Nanba, K; Onda, Y; Takase, T; Wakiyama, Y; Yoshimura, K

2016-01-01

Quantitative characteristics of dissolved and particulate radiocesium wash-off from contaminated watersheds after the FDNPP accident are calculated based on published monitoring data. Comparative analysis is provided for radiocesium wash-off parameters and distribution coefficients, Kd, between suspended matter and water in rivers and surface runoff on Fukushima and Chernobyl contaminated areas for the first years after the accidents. It was found that radiocesium distribution coefficient in Fukushima rivers is essentially higher (1-2 orders of magnitude) than corresponding values for rivers and surface runoff within the Chernobyl zone. This can be associated with two factors: first, the high fraction of clays in the predominant soils and sediments of the Fukushima area and accordingly a higher value of the radiocesium Interception Potential, RIP, in general, and secondly the presence of water insoluble glassy particles containing radiocesium in the accidental fallout at Fukushima. It was found also that normalized dissolved wash-off coefficients for Fukushima catchments are 1-2 orders of magnitude lower than corresponding values for the Chernobyl zone. Normalized particulate wash-off coefficients are comparable for Fukushima and Chernobyl. Results of the investigation of radiocesium's ((134)Cs and (137)Cs) vertical distribution in soils of the close-in area of the Fukushima Dai-ichi NPP - Okuma town and floodplain of the Niida river are presented. The radiocesium migration in undisturbed forest and grassland soils at Fukushima contaminated area has been shown to be faster as compared to the Chernobyl 30-km zone during the first three years after the accidents. This may be associated with higher annual precipitation (by about 2.5 times) in Fukushima as compared to the Chernobyl zone, as well as the differences in the soil characteristics and temperature regime throughout a year. Investigation and analysis of Fukushima's radiocesium distribution in soils of Niida river catchment revealed accumulation zones of contaminated sediments on its floodplain. Average sediment deposition rates varied from 0.3 to 3.3 cm/year. Copyright © 2015 Elsevier Ltd. All rights reserved.

Clinical evaluation of the WOMAC 3.0 OA Index in numeric rating scale format using a computerized touch screen version.

PubMed

Theiler, R; Spielberger, J; Bischoff, H A; Bellamy, N; Huber, J; Kroesen, S

2002-06-01

The Western Ontario and McMaster Universities (WOMAC) Osteoarthritis Index is a previously described self-administered questionnaire covering three domains: pain, stiffness and function. It has been validated in patients with osteoarthritis (OA) of the hip or knee in a paper-based format. To validate the WOMAC 3.0 using a numerical rating scale in a computerized touch screen format allowing immediate evaluation of the questionnaire. In the computed version cartoons, written and audio instruments were included in order facilitate application. Fifty patients, demographically balanced, with radiographically proven primary hip or knee OA completed the classical paper and the new computerized WOMAC version. Subjects were randomized either to paper format or computerized format first to balance possible order effects. The intra-class correlation coefficients for pain, stiffness and function values were 0.915, 0.745 and 0.940, respectively. The Spearman correlation coefficients for pain, stiffness and function were 0.88, 0.77 and 0.87, respectively. These data indicate that the computerized WOMAC OA index 3.0 is comparable to the paper WOMAC in all three dimensions. The computerized version would allow physicians to get an immediate result and if present a direct comparison with a previous exam. Copyright 2002 OsteoArthritis Research Society International. Published by Elsevier Science Ltd. All rights reserved.

LOW-TEMPERATURE ION TRAP STUDIES OF N{sup +}({sup 3} P{sub ja} ) + H{sub 2}(j) {yields} NH{sup +} + H

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zymak, I.; Hejduk, M.; Mulin, D.

2013-05-01

Using a low-temperature 22-pole ion trap apparatus, detailed measurements for the title reaction have been performed between 10 K and 100 K in order to get some state specific information about this fundamental hydrogen abstraction process. The relative population of the two lowest H{sub 2} rotational states, j = 0 and 1, has been varied systematically. NH{sup +} formation is nearly thermo-neutral; however, to date, the energetics are not known with the accuracy required for low-temperature astrochemistry. Additional complications arise from the fact that, so far, there is no reliable theoretical or experimental information on how the reactivity of themore » N{sup +} ion depends on its fine-structure (FS) state {sup 3} P{sub ja} . Since in the present trapping experiment, thermalization of the initially hot FS population competes with hydrogen abstraction, the evaluation of the decay of N{sup +} ions over long storage times and at various He and H{sub 2} gas densities provides information on these processes. First assuming strict adiabatic behavior, a set of state specific rate coefficients is derived from the measured thermal rate coefficients. In addition, by recording the disappearance of the N{sup +} ions over several orders of magnitude, information on nonadiabatic transitions is extracted including FS-changing collisions.« less

An original method for characterizing internal waves

NASA Astrophysics Data System (ADS)

Casagrande, Gaëlle; Varnas, Alex Warn; Folégot, Thomas; Stéphan, Yann

This study consisted in the characterization of internal waves in the south of the Strait of Messina (Italy). The observational data consisted in thermistor string profiles from the Coastal Ocean Acoustic Changes at High frequencies (COACH06) sea trial. An empirical orthogonal function analysis is applied to the data. The first two spatial empirical modes represent over 99% of the variability, and their corresponding time-dependent expansion coefficients take higher absolute values during internal wave events. In order to check how the expansion coefficients vary during an internal wave event, their time derivative, called here changing rates, are computed. It shows that each wave of an internal wave train is characterized by a double oscillation of the changing rates. At the front of the wave, both changing rates increase in absolute value with opposite sign, and then decrease to become null at the maximum amplitude of the wave. At the rear of the wave, the changing rates describe another period, again with opposite sign. This double oscillation can be used as a detector of internal waves, but it can also give information on the width of the wave, by measuring the length of the oscillation, as this information may sometimes be hard to read straight out of the data. When plotting the changing rates one versus another, the resulting scatter diagram puts on a butterfly shape that illustrates well this behaviour.

Numerical simulation of transmission coefficient using c-number Langevin equation

NASA Astrophysics Data System (ADS)

Barik, Debashis; Bag, Bidhan Chandra; Ray, Deb Shankar

2003-12-01

We numerically implement the reactive flux formalism on the basis of a recently proposed c-number Langevin equation [Barik et al., J. Chem. Phys. 119, 680 (2003); Banerjee et al., Phys. Rev. E 65, 021109 (2002)] to calculate transmission coefficient. The Kramers' turnover, the T2 enhancement of the rate at low temperatures and other related features of temporal behavior of the transmission coefficient over a range of temperature down to absolute zero, noise correlation, and friction are examined for a double well potential and compared with other known results. This simple method is based on canonical quantization and Wigner quasiclassical phase space function and takes care of quantum effects due to the system order by order.

Observation of exchange of micropore water in cement pastes by two-dimensional T(2)-T(2) nuclear magnetic resonance relaxometry.

PubMed

Monteilhet, L; Korb, J-P; Mitchell, J; McDonald, P J

2006-12-01

The first detailed analysis of the two-dimensional (2D) NMR T(2)-T(2) exchange experiment with a period of magnetization storage between the two T(2) relaxation encoding periods (T(2)-store-T(2)) is presented. It is shown that this experiment has certain advantages over the T(1)-T(2) variant for the quantization of chemical exchange. New T(2)-store-T(2) 2D 1H NMR spectra of the pore water within white cement paste are presented. Based on these spectra, the exchange rate of water between the two smallest porosity reservoirs is estimated for the first time. It is found to be of the order of 5 ms{-1}. Further, a careful estimate of the pore sizes of these reservoirs is made. They are found to be of the order of 1.4 nm and 10-30 nm , respectively. A discussion of the results is developed in terms of possible calcium silicate hydrate products. A water diffusion coefficient inferred from the exchange rate and the cement particle size is found to compare favorably with the results of molecular-dynamics simulations to be found in the literature.

Analysis of the impacts of horizontal translation and scaling on wavefront approximation coefficients with rectangular pupils for Chebyshev and Legendre polynomials.

PubMed

Sun, Wenqing; Chen, Lei; Tuya, Wulan; He, Yong; Zhu, Rihong

2013-12-01

Chebyshev and Legendre polynomials are frequently used in rectangular pupils for wavefront approximation. Ideally, the dataset completely fits with the polynomial basis, which provides the full-pupil approximation coefficients and the corresponding geometric aberrations. However, if there are horizontal translation and scaling, the terms in the original polynomials will become the linear combinations of the coefficients of the other terms. This paper introduces analytical expressions for two typical situations after translation and scaling. With a small translation, first-order Taylor expansion could be used to simplify the computation. Several representative terms could be selected as inputs to compute the coefficient changes before and after translation and scaling. Results show that the outcomes of the analytical solutions and the approximated values under discrete sampling are consistent. With the computation of a group of randomly generated coefficients, we contrasted the changes under different translation and scaling conditions. The larger ratios correlate the larger deviation from the approximated values to the original ones. Finally, we analyzed the peak-to-valley (PV) and root mean square (RMS) deviations from the uses of the first-order approximation and the direct expansion under different translation values. The results show that when the translation is less than 4%, the most deviated 5th term in the first-order 1D-Legendre expansion has a PV deviation less than 7% and an RMS deviation less than 2%. The analytical expressions and the computed results under discrete sampling given in this paper for the multiple typical function basis during translation and scaling in the rectangular areas could be applied in wavefront approximation and analysis.

Determination of the mass transfer limiting step of dye adsorption onto commercial adsorbent by using mathematical models.

PubMed

Marin, Pricila; Borba, Carlos Eduardo; Módenes, Aparecido Nivaldo; Espinoza-Quiñones, Fernando R; de Oliveira, Silvia Priscila Dias; Kroumov, Alexander Dimitrov

2014-01-01

Reactive blue 5G dye removal in a fixed-bed column packed with Dowex Optipore SD-2 adsorbent was modelled. Three mathematical models were tested in order to determine the limiting step of the mass transfer of the dye adsorption process onto the adsorbent. The mass transfer resistance was considered to be a criterion for the determination of the difference between models. The models contained information about the external, internal, or surface adsorption limiting step. In the model development procedure, two hypotheses were applied to describe the internal mass transfer resistance. First, the mass transfer coefficient constant was considered. Second, the mass transfer coefficient was considered as a function of the dye concentration in the adsorbent. The experimental breakthrough curves were obtained for different particle diameters of the adsorbent, flow rates, and feed dye concentrations in order to evaluate the predictive power of the models. The values of the mass transfer parameters of the mathematical models were estimated by using the downhill simplex optimization method. The results showed that the model that considered internal resistance with a variable mass transfer coefficient was more flexible than the other ones and this model described the dynamics of the adsorption process of the dye in the fixed-bed column better. Hence, this model can be used for optimization and column design purposes for the investigated systems and similar ones.

Preparation of steam activated carbon from rubberwood sawdust (Hevea brasiliensis) and its adsorption kinetics.

PubMed

Prakash Kumar, B G; Shivakamy, K; Miranda, Lima Rose; Velan, M

2006-08-25

Activated carbon was produced from a biowaste product, rubberwood sawdust (RWSD) using steam in a high temperature fluidized bed reactor. Experiments were carried out to investigate the influence of various process parameters such as activation time, activation temperature, particle size and fluidising velocity on the quality of the activated carbon. The activated carbon was characterized based on its iodine number, methylene blue number, Brauner Emmet Teller (BET) surface area and surface area obtained using the ethylene glycol mono ethyl ether (EGME) retention method. The best quality activated carbon was obtained at an activation time and temperature of 1h and 750 degrees C for an average particle size of 0.46 mm. The adsorption kinetics shows that pseudo-second-order rate fitted the adsorption kinetics better than pseudo-first-order rate equation. The adsorption capacity of carbon produced from RWSD was found to be 1250 mg g(-1) for the Bismark Brown dye. The rate constant and diffusion coefficient for intraparticle transport were determined for steam activated carbon. The characteristic of the prepared activated carbon was found comparable to the commercial activated carbon.

Numerical simulation of transport and sequential biodegradation of chlorinated aliphatic hydrocarbons using CHAIN_2D

NASA Astrophysics Data System (ADS)

Schaerlaekens, J.; Mallants, D.; Imûnek, J.; van Genuchten, M. Th.; Feyen, J.

1999-12-01

Microbiological degradation of perchloroethylene (PCE) under anaerobic conditions follows a series of chain reactions, in which, sequentially, trichloroethylene (TCE), cis-dichloroethylene (c-DCE), vinylchloride (VC) and ethene are generated. First-order degradation rate constants, partitioning coefficients and mass exchange rates for PCE, TCE, c-DCE and VC were compiled from the literature. The parameters were used in a case study of pump-and-treat remediation of a PCE-contaminated site near Tilburg, The Netherlands. Transport, non-equilibrium sorption and biodegradation chain processes at the site were simulated using the CHAIN_2D code without further calibration. The modelled PCE compared reasonably well with observed PCE concentrations in the pumped water. We also performed a scenario analysis by applying several increased reductive dechlorination rates, reflecting different degradation conditions (e.g. addition of yeast extract and citrate). The scenario analysis predicted considerably higher concentrations of the degradation products as a result of enhanced reductive dechlorination of PCE. The predicted levels of the very toxic compound VC were now an order of magnitude above the maximum permissible concentration levels.

Spatially adaptive bases in wavelet-based coding of semi-regular meshes

NASA Astrophysics Data System (ADS)

Denis, Leon; Florea, Ruxandra; Munteanu, Adrian; Schelkens, Peter

2010-05-01

In this paper we present a wavelet-based coding approach for semi-regular meshes, which spatially adapts the employed wavelet basis in the wavelet transformation of the mesh. The spatially-adaptive nature of the transform requires additional information to be stored in the bit-stream in order to allow the reconstruction of the transformed mesh at the decoder side. In order to limit this overhead, the mesh is first segmented into regions of approximately equal size. For each spatial region, a predictor is selected in a rate-distortion optimal manner by using a Lagrangian rate-distortion optimization technique. When compared against the classical wavelet transform employing the butterfly subdivision filter, experiments reveal that the proposed spatially-adaptive wavelet transform significantly decreases the energy of the wavelet coefficients for all subbands. Preliminary results show also that employing the proposed transform for the lowest-resolution subband systematically yields improved compression performance at low-to-medium bit-rates. For the Venus and Rabbit test models the compression improvements add up to 1.47 dB and 0.95 dB, respectively.

A mechanistic approach on the self-organization of the two-component thermoreversible hydrogel of riboflavin and melamine.

PubMed

Saha, Abhijit; Manna, Swarup; Nandi, Arun K

2007-12-18

The riboflavin (R) and melamine (M) supramolecular complex in the mole ratio of 3:1 (RM31) produces a thermoreversible gel in aqueous medium. The gelation mechanism has been elucidated from morphological investigations using optical, electron, and atomic force microscopy together with time-dependent circular dichroism (CD) and photoluminescence (PL) spectroscopy. Optical microscopy indicates spherulitic morphology at lower gelation temperature (

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, J. F.; Ma, Q. M.; Song, T.

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusionmore » coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.« less

Backscattering from a randomly rough dielectric surface

NASA Technical Reports Server (NTRS)

Fung, Adrian K.; Li, Zongqian; Chen, K. S.

1992-01-01

A backscattering model for scattering from a randomly rough dielectric surface is developed based on an approximate solution of a pair of integral equations for the tangential surface fields. Both like and cross-polarized scattering coefficients are obtained. It is found that the like polarized scattering coefficients contain two types of terms: single scattering terms and multiple scattering terms. The single scattering terms in like polarized scattering are shown to reduce the first-order solutions derived from the small perturbation method when the roughness parameters satisfy the slightly rough conditions. When surface roughnesses are large but the surface slope is small, only a single scattering term corresponding to the standard Kirchhoff model is significant. If the surface slope is large, the multiple scattering term will also be significant. The cross-polarized backscattering coefficients satisfy reciprocity and contain only multiple scattering terms. The difference between vertical and horizontal scattering coefficients is found to increase with the dielectric constant and is generally smaller than that predicted by the first-order small perturbation model. Good agreements are obtained between this model and measurements from statistically known surfaces.

Evaluation of evaporation coefficient for micro-droplets exposed to low pressure: A semi-analytical approach

NASA Astrophysics Data System (ADS)

Chakraborty, Prodyut R.; Hiremath, Kirankumar R.; Sharma, Manvendra

2017-02-01

Evaporation rate of water is strongly influenced by energy barrier due to molecular collision and heat transfer limitations. The evaporation coefficient, defined as the ratio of experimentally measured evaporation rate to that maximum possible theoretical limit, varies over a conflicting three orders of magnitude. In the present work, a semi-analytical transient heat diffusion model of droplet evaporation is developed considering the effect of change in droplet size due to evaporation from its surface, when the droplet is injected into vacuum. Negligible effect of droplet size reduction due to evaporation on cooling rate is found to be true. However, the evaporation coefficient is found to approach theoretical limit of unity, when the droplet radius is less than that of mean free path of vapor molecules on droplet surface contrary to the reported theoretical predictions. Evaporation coefficient was found to reduce rapidly when the droplet under consideration has a radius larger than the mean free path of evaporating molecules, confirming the molecular collision barrier to evaporation rate. The trend of change in evaporation coefficient with increasing droplet size predicted by the proposed model will facilitate obtaining functional relation of evaporation coefficient with droplet size, and can be used for benchmarking the interaction between multiple droplets during evaporation in vacuum.

Electron-impact excitation of diatomic hydride cations II: OH+ and SH+

NASA Astrophysics Data System (ADS)

Hamilton, James R.; Faure, Alexandre; Tennyson, Jonathan

2018-05-01

R-matrix calculations combined with the adiabatic-nuclei-rotation and Coulomb-Born approximations are used to compute electron-impact rotational rate coefficients for two open-shell diatomic cations of astrophysical interest: the hydoxyl and sulphanyl ions, OH+ and SH+. Hyperfine resolved rate coefficients are deduced using the infinite-order-sudden approximation. The propensity rule ΔF = Δj = ΔN = ±1 is observed, as is expected for cations with a large dipole moment. A model for OH+ excitation in the Orion Bar photon-dominated region is presented which nicely reproduces Herschel observations for an electron fraction xe = 10-4 and an OH+ column density of 3 × 1013 cm-2. Electron-impact electronic excitation cross-sections and rate coefficients for the ions are also presented.

Comparisons of monthly mean cosmic ray counting rates observes from worldwide network of neutron monitors

NASA Technical Reports Server (NTRS)

Ryu, J. Y.; Wada, M.

1985-01-01

In order to examine the stability of neutron monitor observation, each of the monthly average counting rates of a neutron monitors is correlated to those of Kiel neutron monitor. The regression coefficients thus obtained are compared with the coupling coefficients of isotropic intensity radiation. The results of the comparisons for five year periods during 1963 to 1982, and for whole period are given. The variation spectrum with a single power law with an exponent of -0.75 up to 50 GV is not so unsatisfactory one. More than one half of the stations show correlations with the coefficient greater than 0.9. Some stations have shifted the level of mean counting rates by changing the instrumental characteristics which can be adjusted.

Transport of bisphenol-A in sandy aquifer sediment: Column experiment.

PubMed

Zakari, Sissou; Liu, Hui; Tong, Lei; Wang, Yan; Liu, Jianfeng

2016-02-01

The present paper aims to study the transport behavior of bisphenol-A (BPA) in sandy aquifer so as to provide important parameters for the prediction and control of contaminant plume in aquifer. Miscible displacement experiments were conducted and the breakthrough curves (BTCs) were simulated using HYDRUS-1D software. The effects of pore-water velocity (10-52 cm h(-1)) and initial concentration (2.5-40 mg L(-1)) on the sorption were also investigated. The BTCs of BPA fit the linear first-order non-equilibrium two-site model. The parameters such as partition coefficient (K(d)), the fraction of instantaneous adsorption on "Type-1" sites (F), the first order sorption rate coefficient for the kinetic non-equilibrium (type-2) sites (α), the retardation coefficient (R), and sorption capacity (q(column)) were computed. Results showed that BPA transported 0.11-0.83 m with various pore water velocity in sandy sediment column when water flowed 1 m. The sorption of BPA was mainly caused by the instantaneous surface adsorption as F varied from 0.596 to 0.908. The transport velocity of BPA was affected by pore water velocity (v) and followed the linear equation 1/R = 0.0600 + 0.0110v (r(2) = 0.9724). The parameter K(d) were also closely related to v and followed the equation LnK(d) = 1.0023-0.0482v (r(2) = 0.9690). The sorption capacity was more related to the initial BPA concentration (C0) and followed the linear equation q(column) = 0.265 + 0.253C0 (r(2) = 0.9727). The parameter α was affected by both v and C0 whereas F was not dramatically affected by both. Copyright © 2015 Elsevier Ltd. All rights reserved.

All-optical 1st- and 2nd-order differential equation solvers with large tuning ranges using Fabry-Pérot semiconductor optical amplifiers.

PubMed

Chen, Kaisheng; Hou, Jie; Huang, Zhuyang; Cao, Tong; Zhang, Jihua; Yu, Yuan; Zhang, Xinliang

2015-02-09

We experimentally demonstrate an all-optical temporal computation scheme for solving 1st- and 2nd-order linear ordinary differential equations (ODEs) with tunable constant coefficients by using Fabry-Pérot semiconductor optical amplifiers (FP-SOAs). By changing the injection currents of FP-SOAs, the constant coefficients of the differential equations are practically tuned. A quite large constant coefficient tunable range from 0.0026/ps to 0.085/ps is achieved for the 1st-order differential equation. Moreover, the constant coefficient p of the 2nd-order ODE solver can be continuously tuned from 0.0216/ps to 0.158/ps, correspondingly with the constant coefficient q varying from 0.0000494/ps(2) to 0.006205/ps(2). Additionally, a theoretical model that combining the carrier density rate equation of the semiconductor optical amplifier (SOA) with the transfer function of the Fabry-Pérot (FP) cavity is exploited to analyze the solving processes. For both 1st- and 2nd-order solvers, excellent agreements between the numerical simulations and the experimental results are obtained. The FP-SOAs based all-optical differential-equation solvers can be easily integrated with other optical components based on InP/InGaAsP materials, such as laser, modulator, photodetector and waveguide, which can motivate the realization of the complicated optical computing on a single integrated chip.

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

DOE PAGES

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

2016-09-14

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

Kinetic parameter estimation model for anaerobic co-digestion of waste activated sludge and microalgae.

PubMed

Lee, Eunyoung; Cumberbatch, Jewel; Wang, Meng; Zhang, Qiong

2017-03-01

Anaerobic co-digestion has a potential to improve biogas production, but limited kinetic information is available for co-digestion. This study introduced regression-based models to estimate the kinetic parameters for the co-digestion of microalgae and Waste Activated Sludge (WAS). The models were developed using the ratios of co-substrates and the kinetic parameters for the single substrate as indicators. The models were applied to the modified first-order kinetics and Monod model to determine the rate of hydrolysis and methanogenesis for the co-digestion. The results showed that the model using a hyperbola function was better for the estimation of the first-order kinetic coefficients, while the model using inverse tangent function closely estimated the Monod kinetic parameters. The models can be used for estimating kinetic parameters for not only microalgae-WAS co-digestion but also other substrates' co-digestion such as microalgae-swine manure and WAS-aquatic plants. Copyright © 2016 Elsevier Ltd. All rights reserved.

Adsorption of pharmaceuticals onto trimethylsilylated mesoporous SBA-15.

PubMed

Bui, Tung Xuan; Pham, Viet Hung; Le, Son Thanh; Choi, Heechul

2013-06-15

The adsorption of a complex mixture of 12 selected pharmaceuticals to trimethylsilylated mesoporous SBA-15 (TMS-SBA-15) has been investigated by batch adsorption experiments. The adsorption of pharmaceuticals to TMS-SBA-15 was highly dependent on the solution pH and pharmaceutical properties (i.e., hydrophobicity (logKow) and acidity (pKa)). Good log-log linear relationships between the adsorption (Kd) and pH-dependent octanol-water coefficients (Kow(pH)) were then established among the neutral, anionic, and cationic compounds, suggesting hydrophobic interaction as a primary driving force in the adsorption. In addition, the neutral species of each compound accounted for a major contribution to the overall compound adsorption onto TMS-SBA-15. The adsorption kinetics of pharmaceuticals was evaluated by the nonlinear first-order and pseudo-second-order models. The first-order model gave a better fit for five pharmaceuticals with lower adsorption capacity, whereas the pseudo-second-order model fitted better for seven pharmaceuticals having higher adsorption capacity. In the same group of properties, pharmaceuticals having higher adsorption capacity exhibited faster adsorption rates. The rate-limiting steps for adsorption of pharmaceuticals onto TMS-SBA-15 are boundary layer diffusion and intraparticle diffusion including diffusion in mesopores and micropores. In addition, the adsorption of pharmaceuticals to TMS-SBA-15 was not influenced by the change of initial pharmaceutical concentration (10-100μgL(-1)) and the presence of natural organic matter. Copyright © 2013 Elsevier B.V. All rights reserved.

Effect of drug lipophilicity on in vitro release rate from oil vehicles using nicotinic acid esters as model prodrug derivatives.

PubMed

Weng Larsen, S; Engelbrecht Thomsen, A E; Rinvar, E; Friis, G J; Larsen, C

2001-03-23

The rate constants for transfer of a homologous series of nicotinic acid esters from oil vehicles to aqueous buffer phases were determined using a rotating dialysis cell. The chemical stability of butyl nicotinate has been investigated at 60 degrees C over pH range 0.5--10. Maximum stability occurs at pH 4--5 and an inflection point was seen around the pK(a). For the nicotinic acid esters, a linear correlation was established between the first-order rate constant related to attainment of equilibrium, k(obs) and the apparent partition coefficient, P(app): log k(obs)=-0.83log P(app)+0.26 (k(obs) in h(-1), n=9). For hexyl nicotinate with a true partition coefficient of 4 it was possible to determine k(obs) by decreasing pH in the aqueous release medium to 2.05. Thus, under the latter experimental conditions estimation of the relative release rates for the esters were performed. The ratio between the specific rate constant k(ow), related to the transport from oil vehicle to aqueous phase, for ethyl and hexyl nicotinate was 139. The hydrophobic substituent constant for a methylene group, pi(CH(2)), was determined for nicotinic acid esters in different oil/buffer partitioning systems to 0.54--0.58. Addition of hydroxypropyl-beta-cyclodextrin to the aqueous release medium did not enhance the transport rate of the esters from the oil phase.

A spline-based parameter estimation technique for static models of elastic structures

NASA Technical Reports Server (NTRS)

Dutt, P.; Taasan, S.

1986-01-01

The problem of identifying the spatially varying coefficient of elasticity using an observed solution to the forward problem is considered. Under appropriate conditions this problem can be treated as a first order hyperbolic equation in the unknown coefficient. Some continuous dependence results are developed for this problem and a spline-based technique is proposed for approximating the unknown coefficient, based on these results. The convergence of the numerical scheme is established and error estimates obtained.

The equilibrium constant for N2O5 = NO2 + NO3 - Absolute determination by direct measurement from 243 to 397 K

NASA Technical Reports Server (NTRS)

Cantrell, C. A.; Davidson, J. A.; Mcdaniel, A. H.; Shetter, R. E.; Calvert, J. G.

1988-01-01

Direct determinations of the equilibrium constant for the reaction N2O5 = NO2 + NO3 were carried out by measuring NO2, NO3, and N2O5 using long-path visible and infrared absorption spectroscopy as a function of temperature from 243 to 397 K. The first-order decay rate constant of N2O5 was experimentally measured as a function of temperature. These results are in turn used to derive a value for the rate coefficient for the NO-forming channel in the reaction of NO3 with NO2. The implications of the results for atmospheric chemistry, the thermodynamics of NO3, and for laboratory kinetics studies are discussed.

Heavy quarkonium production at collider energies: Partonic cross section and polarization

DOE PAGES

Qiu, Jian -Wei; Kang, Zhong -Bo; Ma, Yan -Qing; ...

2015-01-27

We calculate the O(α³ s) short-distance, QCD collinear-factorized coefficient functions for all partonic channels that include the production of a heavy quark pair at short distances. Thus, this provides the first power correction to the collinear-factorized inclusive hadronic production of heavy quarkonia at large transverse momentum, pT, including the full leading-order perturbative contributions to the production of heavy quark pairs in all color and spin states employed in NRQCD treatments of this process. We discuss the role of the first power correction in the production rates and the polarizations of heavy quarkonia in high-energy hadronic collisions. The consistency of QCDmore » collinear factorization and nonrelativistic QCD factorization applied to heavy quarkonium production is also discussed.« less

Effect of mesh distortion on the accuracy of transverse shear stresses and their sensitivity coefficients in multilayered composites

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Kim, Yong H.

1995-01-01

A study is made of the effect of mesh distortion on the accuracy of transverse shear stresses and their first-order and second-order sensitivity coefficients in multilayered composite panels subjected to mechanical and thermal loads. The panels are discretized by using a two-field degenerate solid element, with the fundamental unknowns consisting of both displacement and strain components, and the displacement components having a linear variation throughout the thickness of the laminate. A two-step computational procedure is used for evaluating the transverse shear stresses. In the first step, the in-plane stresses in the different layers are calculated at the numerical quadrature points for each element. In the second step, the transverse shear stresses are evaluated by using piecewise integration, in the thickness direction, of the three-dimensional equilibrium equations. The same procedure is used for evaluating the sensitivity coefficients of transverse shear stresses. Numerical results are presented showing no noticeable degradation in the accuracy of the in-plane stresses and their sensitivity coefficients with mesh distortion. However, such degradation is observed for the transverse shear stresses and their sensitivity coefficients. The standard of comparison is taken to be the exact solution of the three-dimensional thermoelasticity equations of the panel.

Kinetics from Replica Exchange Molecular Dynamics Simulations.

PubMed

Stelzl, Lukas S; Hummer, Gerhard

2017-08-08

Transitions between metastable states govern many fundamental processes in physics, chemistry and biology, from nucleation events in phase transitions to the folding of proteins. The free energy surfaces underlying these processes can be obtained from simulations using enhanced sampling methods. However, their altered dynamics makes kinetic and mechanistic information difficult or impossible to extract. Here, we show that, with replica exchange molecular dynamics (REMD), one can not only sample equilibrium properties but also extract kinetic information. For systems that strictly obey first-order kinetics, the procedure to extract rates is rigorous. For actual molecular systems whose long-time dynamics are captured by kinetic rate models, accurate rate coefficients can be determined from the statistics of the transitions between the metastable states at each replica temperature. We demonstrate the practical applicability of the procedure by constructing master equation (Markov state) models of peptide and RNA folding from REMD simulations.

Correction of contaminated yaw rate signal and estimation of sensor bias for an electric vehicle under normal driving conditions

NASA Astrophysics Data System (ADS)

Zhang, Guoguang; Yu, Zitian; Wang, Junmin

2017-03-01

Yaw rate is a crucial signal for the motion control systems of ground vehicles. Yet it may be contaminated by sensor bias. In order to correct the contaminated yaw rate signal and estimate the sensor bias, a robust gain-scheduling observer is proposed in this paper. First of all, a two-degree-of-freedom (2DOF) vehicle lateral and yaw dynamic model is presented, and then a Luenberger-like observer is proposed. To make the observer more applicable to real vehicle driving operations, a 2DOF vehicle model with uncertainties on the coefficients of tire cornering stiffness is employed. Further, a gain-scheduling approach and a robustness enhancement are introduced, leading to a robust gain-scheduling observer. Sensor bias detection mechanism is also designed. Case studies are conducted using an electric ground vehicle to assess the performance of signal correction and sensor bias estimation under difference scenarios.

Homogeneous ice nucleation from aqueous inorganic/organic particles representative of biomass burning: water activity, freezing temperatures, nucleation rates.

PubMed

Knopf, Daniel A; Rigg, Yannick J

2011-02-10

Homogeneous ice nucleation plays an important role in the formation of cirrus clouds with subsequent effects on the global radiative budget. Here we report on homogeneous ice nucleation temperatures and corresponding nucleation rate coefficients of aqueous droplets serving as surrogates of biomass burning aerosol. Micrometer-sized (NH(4))(2)SO(4)/levoglucosan droplets with mass ratios of 10:1, 1:1, 1:5, and 1:10 and aqueous multicomponent organic droplets with and without (NH(4))(2)SO(4) under typical tropospheric temperatures and relative humidities are investigated experimentally using a droplet conditioning and ice nucleation apparatus coupled to an optical microscope with image analysis. Homogeneous freezing was determined as a function of temperature and water activity, a(w), which was set at droplet preparation conditions. The ice nucleation data indicate that minor addition of (NH(4))(2)SO(4) to the aqueous organic droplets renders the temperature dependency of water activity negligible in contrast to the case of aqueous organic solution droplets. The mean homogeneous ice nucleation rate coefficient derived from 8 different aqueous droplet compositions with average diameters of ∼60 μm for temperatures as low as 195 K and a(w) of 0.82-1 is 2.18 × 10(6) cm(-3) s(-1). The experimentally derived freezing temperatures and homogeneous ice nucleation rate coefficients are in agreement with predictions of the water activity-based homogeneous ice nucleation theory when taking predictive uncertainties into account. However, the presented ice nucleation data indicate that the water activity-based homogeneous ice nucleation theory overpredicts the freezing temperatures by up to 3 K and corresponding ice nucleation rate coefficients by up to ∼2 orders of magnitude. A shift of 0.01 in a(w), which is well within the uncertainty of typical field and laboratory relative humidity measurements, brings experimental and predicted freezing temperatures and homogeneous ice nucleation rate coefficients into agreement. The experimentally derived ice nucleation data are applied to constrain the water activity-based homogeneous ice nucleation theory to smaller than ±1 order of magnitude compared to the predictive uncertainty of larger than ±6 orders of magnitude. The atmospheric implications of these findings are discussed.

Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. I. General axially nonadiabatic channel treatment.

PubMed

Auzinsh, M; Dashevskaya, E I; Litvin, I; Nikitin, E E; Troe, J

2013-08-28

The rate coefficients for capture of charged particles by dipolar polarizable symmetric top molecules in the quantum collision regime are calculated within an axially nonadiabatic channel approach. It uses the adiabatic approximation with respect to rotational transitions of the target within first-order charge-dipole interaction and takes into account the gyroscopic effect that decouples the intrinsic angular momentum from the collision axis. The results are valid for a wide range of collision energies (from single-wave capture to the classical limit) and dipole moments (from the Vogt-Wannier and fly-wheel to the adiabatic channel limit).

Time-dependent oral absorption models

NASA Technical Reports Server (NTRS)

Higaki, K.; Yamashita, S.; Amidon, G. L.

2001-01-01

The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.

Wittichenite Cu3BiS3: Synthesis and Physical Properties

NASA Astrophysics Data System (ADS)

Wei, Kaya; Hobbis, Dean; Wang, Hsin; Nolas, George S.

2018-04-01

Polycrystalline Cu3BiS3 was synthesized and densified using hot pressing in order to investigate the physical properties of this material. Both the thermal conductivity and the Seebeck coefficient of Cu3BiS3 are reported for the first time in order to investigate the thermoelectric properties of this material. The ultralow thermal conductivity coupled with the relatively high Seebeck coefficient, 0.17 W/m-K and 540 μV/K at room temperature, respectively, suggest Cu3BiS3 may show promise for thermoelectric applications.

Wittichenite Cu3BiS3: Synthesis and Physical Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wei, Kaya; Hobbis, Dean; Wang, Hsin

Polycrystalline Cu 3BiS 3 was synthesized and densified using hot pressing in order to investigate the physical properties of this material. Both the thermal conductivity and the Seebeck coefficient of Cu 3BiS 3 are reported for the first time in order to investigate the thermoelectric properties of this material. The ultralow thermal conductivity coupled with the relatively high Seebeck coefficient, 0.17 W/m-K and 540 μV/K at room temperature, respectively, suggest Cu 3BiS 3 may show promise for thermoelectric applications.

Wittichenite Cu3BiS3: Synthesis and Physical Properties

DOE PAGES

Wei, Kaya; Hobbis, Dean; Wang, Hsin; ...

2018-01-18

Polycrystalline Cu 3BiS 3 was synthesized and densified using hot pressing in order to investigate the physical properties of this material. Both the thermal conductivity and the Seebeck coefficient of Cu 3BiS 3 are reported for the first time in order to investigate the thermoelectric properties of this material. The ultralow thermal conductivity coupled with the relatively high Seebeck coefficient, 0.17 W/m-K and 540 μV/K at room temperature, respectively, suggest Cu 3BiS 3 may show promise for thermoelectric applications.

Algorithms for bioluminescence tomography incorporating anatomical information and reconstruction of tissue optical properties

PubMed Central

Naser, Mohamed A.; Patterson, Michael S.

2010-01-01

Reconstruction algorithms are presented for a two-step solution of the bioluminescence tomography (BLT) problem. In the first step, a priori anatomical information provided by x-ray computed tomography or by other methods is used to solve the continuous wave (cw) diffuse optical tomography (DOT) problem. A Taylor series expansion approximates the light fluence rate dependence on the optical properties of each region where first and second order direct derivatives of the light fluence rate with respect to scattering and absorption coefficients are obtained and used for the reconstruction. In the second step, the reconstructed optical properties at different wavelengths are used to calculate the Green’s function of the system. Then an iterative minimization solution based on the L1 norm shrinks the permissible regions where the sources are allowed by selecting points with higher probability to contribute to the source distribution. This provides an efficient BLT reconstruction algorithm with the ability to determine relative source magnitudes and positions in the presence of noise. PMID:21258486

Transverse parton distribution functions at next-to-next-to-leading order: the quark-to-quark case.

PubMed

Gehrmann, Thomas; Lübbert, Thomas; Yang, Li Lin

2012-12-14

We present a calculation of the perturbative quark-to-quark transverse parton distribution function at next-to-next-to-leading order based on a gauge invariant operator definition. We demonstrate for the first time that such a definition works beyond the first nontrivial order. We extract from our calculation the coefficient functions relevant for a next-to-next-to-next-to-leading logarithmic Q(T) resummation in a large class of processes at hadron colliders.

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

PubMed

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

2017-02-09

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

Second-Order Fermi Acceleration and Emission in Blazar Jets

NASA Astrophysics Data System (ADS)

Asano, Katsuaki; Takahara, Fumio; Toma, Kenji; Kusunose, Masaaki; Kakuwa, Jun

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations, adopt it for 1ES 1101-232, and Mrk 421. The Fermi-II model with radial evolution of the electron injection rate and/or diffusion coefficient can reproduce the spectra from the radio to the gamma-ray regime. For Mrk 421, an external radio photon field with a luminosity of 4.9 begin{math} {times} 10 (38) erg s (-1) is required to agree with the observed GeV flux. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.

Prediction of Chemoresistance in Women Undergoing Neo-Adjuvant Chemotherapy for Locally Advanced Breast Cancer: Volumetric Analysis of First-Order Textural Features Extracted from Multiparametric MRI

PubMed Central

Losio, C.; Della Corte, A.; Venturini, E.; Ambrosi, A.; Panizza, P.; De Cobelli, F.

2018-01-01

Purpose To assess correlations between volumetric first-order texture parameters on baseline MRI and pathological response after neoadjuvant chemotherapy (NAC) for locally advanced breast cancer (BC). Materials and Methods 69 patients with locally advanced BC candidate to neoadjuvant chemotherapy underwent MRI within 4 weeks from the start of therapeutic regimen. T2, DWI, and DCE sequences were analyzed and maps were generated for Apparent Diffusion Coefficient (ADC), T2 signal intensity, and the following dynamic parameters: k-trans, peak enhancement, area under curve (AUC), time to maximal enhancement (TME), wash-in rate, and washout rate. Volumetric analysis of these parameters was performed, yielding a histogram analysis including first-order texture kinetics (percentiles, maximum value, minimum value, range, standard deviation, mean, median, mode, skewness, and kurtosis). Finally, correlations between these values and response to NAC (evaluated on the surgical specimen according to RECIST 1.1 criteria) were assessed. Results Out of 69 tumors, 33 (47.8%) achieved complete pathological response, 26 (37.7%) partial response, and 10 (14.5%) no response. Higher levels of AUCmax (p value = 0.0338), AUCrange (p value = 0.0311), and TME75 (p value = 0.0452) and lower levels of washout10 (p value = 0.0417), washout20 (p value = 0.0138), washout25 (p value = 0.0114), and washout30 (p value = 0.05) were predictive of noncomplete response. Conclusion Histogram-derived texture analysis of MRI images allows finding quantitative parameters predictive of nonresponse to NAC in women affected by locally advanced BC. PMID:29853811

Prediction of Chemoresistance in Women Undergoing Neo-Adjuvant Chemotherapy for Locally Advanced Breast Cancer: Volumetric Analysis of First-Order Textural Features Extracted from Multiparametric MRI.

PubMed

Panzeri, M M; Losio, C; Della Corte, A; Venturini, E; Ambrosi, A; Panizza, P; De Cobelli, F

2018-01-01

To assess correlations between volumetric first-order texture parameters on baseline MRI and pathological response after neoadjuvant chemotherapy (NAC) for locally advanced breast cancer (BC). 69 patients with locally advanced BC candidate to neoadjuvant chemotherapy underwent MRI within 4 weeks from the start of therapeutic regimen. T2, DWI, and DCE sequences were analyzed and maps were generated for Apparent Diffusion Coefficient (ADC), T2 signal intensity, and the following dynamic parameters: k -trans, peak enhancement, area under curve (AUC), time to maximal enhancement (TME), wash-in rate, and washout rate. Volumetric analysis of these parameters was performed, yielding a histogram analysis including first-order texture kinetics (percentiles, maximum value, minimum value, range, standard deviation, mean, median, mode, skewness, and kurtosis). Finally, correlations between these values and response to NAC (evaluated on the surgical specimen according to RECIST 1.1 criteria) were assessed. Out of 69 tumors, 33 (47.8%) achieved complete pathological response, 26 (37.7%) partial response, and 10 (14.5%) no response. Higher levels of AUCmax ( p value = 0.0338), AUCrange ( p value = 0.0311), and TME 75 ( p value = 0.0452) and lower levels of washout 10 ( p value = 0.0417), washout 20 ( p value = 0.0138), washout 25 ( p value = 0.0114), and washout 30 ( p value = 0.05) were predictive of noncomplete response. Histogram-derived texture analysis of MRI images allows finding quantitative parameters predictive of nonresponse to NAC in women affected by locally advanced BC.

Relativistic Many-Body Approach to Calculating Radiation and Autoionization Probabilities, Electron Collision Strengths For Multicharged Ions in a Plasma: Debae Approximation

NASA Astrophysics Data System (ADS)

Glushkov, Alexander; Loboda, Andrey; Nikola, Ludmila

2011-10-01

We present the uniform energy approach, formally based on the gauge-invariant relativistic many-body perturbation theory for the calculation of the radiative and autoionization probabilities, electron collision strengths and rate coefficients in a multicharged ions (in a collisionally pumped plasma). An account for the plasma medium influence is carried out within a Debae shielding approach. The aim is to study, in a uniform manner, elementary processes responsible for emission-line formation in a plasma. The energy shift due to the collision is arisen at first in the second PT order in the form of integral on the scattered electron energy. The cross-section is linked with imaginary part of the scattering energy shift. The electron collision excitation cross-sections and rate coefficients for some plasma Ne-, Ar-like multicharged ions are calculated within relativistic energy approach. We present the results of calculation the autoionization resonances energies and widths in heavy He-like multicharged ions and rare-earth atoms of Gd and Tm. To test the results of calculations we compare the obtained data for some Ne-like ions with other authors' calculations and available experimental data for a wide range of plasma conditions.

Quantum chemistry and TST study of the mechanism and kinetics of the butadiene and isoprene reactions with mercapto radicals

NASA Astrophysics Data System (ADS)

Francisco-Márquez, Misaela; Alvarez-Idaboy, J. Raul; Galano, Annia; Vivier-Bunge, Annik

2008-03-01

The reactions of isoprene and butadiene with SH rad radicals have been investigated by density functional theory and ab initio molecular orbital theories. We report the thermodynamics and kinetics of four different pathways, involving addition of SH rad radicals to all double-bonded carbon atoms. Calculations have been performed on all stationary points using BHandHLYP functional, Moller-Plesset perturbation theory to second-order (MP2) and the composite CBS-QB3 method at the MP2 optimized geometries and frequencies. Pre-reactive complexes have been identified. The apparent activation energies are negative for SH rad addition at the terminal carbon atoms and are slightly smaller than those for OH rad addition at the same positions. The calculated overall rate coefficient for butadiene + SH rad reaction at 298 K is in excellent agreement with the only available experimentally measured value. Activation energies and overall rate coefficients at different temperatures are predicted for the first time for butadiene + SH rad and isoprene + SH rad reactions. The reactions of butadiene and isoprene with SH rad radicals were found to be about four times faster than with OH rad radicals.

Application of the method of temporal moments to interpret solute transport with sorption and degradation

NASA Astrophysics Data System (ADS)

Pang, Liping; Goltz, Mark; Close, Murray

2003-01-01

In this note, we applied the temporal moment solutions of [Das and Kluitenberg, 1996. Soil Sci. Am. J. 60, 1724] for one-dimensional advective-dispersive solute transport with linear equilibrium sorption and first-order degradation for time pulse sources to analyse soil column experimental data. Unlike most other moment solutions, these solutions consider the interplay of degradation and sorption. This permits estimation of a first-order degradation rate constant using the zeroth moment of column breakthrough data, as well as estimation of the retardation factor or sorption distribution coefficient of a degrading solute using the first moment. The method of temporal moment (MOM) formulae was applied to analyse breakthrough data from a laboratory column study of atrazine, hexazinone and rhodamine WT transport in volcanic pumice sand, as well as experimental data from the literature. Transport and degradation parameters obtained using the MOM were compared to parameters obtained by fitting breakthrough data from an advective-dispersive transport model with equilibrium sorption and first-order degradation, using the nonlinear least-square curve-fitting program CXTFIT. The results derived from using the literature data were also compared with estimates reported in the literature using different equilibrium models. The good agreement suggests that the MOM could provide an additional useful means of parameter estimation for transport involving equilibrium sorption and first-order degradation. We found that the MOM fitted breakthrough curves with tailing better than curve fitting. However, the MOM analysis requires complete breakthrough curves and relatively frequent data collection to ensure the accuracy of the moments obtained from the breakthrough data.

Aerial dispersal of particles emitted inside plant canopies: Application to the spread of plant diseases

NASA Astrophysics Data System (ADS)

Pan, Ying

This work combines numerical, experimental, and theoretical methods to investigate the dispersion of particles inside and above plant canopies. The large-eddy simulation (LES) approach is used to reproduce turbulence statistics and three-dimensional particle dispersion within the canopy roughness sublayer. The Eulerian description of conservation laws of fluid momentum and particle concentration implies that the continuous concentration field is advected by the continuous flow field. Within the canopy, modifications are required for the filtered momentum and concentration equations, because spatial filtering of flow variables and concentration field is inapplicable to a control volume consisting of both fluid and solid elements. In this work, the canopy region is viewed as a space occupied by air only. The sink of airflow momentum induced by forces acting on the surfaces of canopy elements is parameterized as a non-conservative virtual body force that dissipates the kinetic energy of the air. This virtual body force must reflect the characteristic of the surface forces exerted by canopy elements within the control volume, and is parameterized as a "drag force" following standard practice in LES studies. Specifically, the "drag force" is calculated as a product of a drag coefficient, the projected leaf area density, and the square of velocity. Using a constant drag coefficient, this model allows first-order accuracy in reproducing the vertically integrated sink of momentum within the canopy layer for airflows of high Reynolds number. The corresponding LES results of first- and second-order turbulence statistics are in good agreement with experimental data obtained in the field interior, within and just above mature maize canopies. However, the distribution of momentum sink among weak and strong events has not been well reproduced, inferred from the significant underestition of streamwise and vertical velocity skewness as well as the fractions of vertical momentum flux transported by strong events. Using a velocity-dependent drag coefficient that accounts for the effect of plant reconfiguration, the "drag force" model leads to LES results of streamwise and vertical velocity skewness as well as the fractions of vertical momentum flux transported by strong events in better agreement with field experimental data. The link between plant reconfiguration and turbulence dynamics within the canopy roughness sublayer is further investigated. The "reconfiguration drag model" using velocity-dependent drag coefficient is revised to incorporate a theoretical model of the force balance on individual crosswind blades. In the LES, the dimension and degree of the reconfiguration of canopy elements affect the magnitude and position of peak streamwise velocity skewness within the canopy as well as the fractions of vertical momentum flux transported by strong events. The streamwise velocity skewness is shown to be related to the penetration of strong events into the canopy, which is associated with the passage of canopy-scale coherent eddies. With the profile of mean vertical momentum flux constrained by field experimental data, changing the model of drag coefficient induces negligible changes in the vertically integrated "drag force" within the canopy layer. Consequently, first- and second-order turbulence statistics remain approximately the same. However, enhancing the rate of decrease of drag coefficient with increasing velocity increases the streamwise and vertical velocity skewness, the fractions of vertical momentum flux transported by strong events, as well as the ratio between vertical momentum flux transported by relatively strong head-down "sweeps" and relatively weak head-up "ejections." These results confirmed the inadequacy of describing the effects of canopy-scale coherent structures using just first- and second-order turbulence statistics. The filtered concentration equation is applied to the dispersion of particles within the canopy roughness sublayer, assuming that a virtual continuous concentration field is advected by a virtual continuous velocity field. A canopy deposition model is used to model the sink of particle concentration associated with the impaction, sedimentation, retention, and re-entrainment of particles on the surfaces of canopy elements. LES results of mean particle concentration field and mean ground deposition rate were evaluated against data obtained during an artificial continuous point-source release experiment. Accounting for the effect of reconfiguration by using a velocity dependent drag coefficient leads to better agreement between LES results and field experimental data of the mean particle concentration field, suggesting the importance of reproducing the distribution of momentum sink among weak and strong events for reproducing the dispersion of particles. LES results obtained using a velocity-dependent drag coefficient are analyzed to estimate essential properties for the occurrence of plant disease epidemics. The most interesting finding is that an existing analytical function can be used to model the crosswind-integrated mean concentration field above the canopy normalized by the escape fraction for particles released from the field interior. (Abstract shortened by ProQuest.).

Determination of the apparent transfer coefficient for CO oxidation on Pt(poly), Pt(111), Pt(665) and Pt(332) using a potential modulation technique.

PubMed

Wang, Han-Chun; Ernst, Siegfried; Baltruschat, Helmut

2010-03-07

The apparent transfer coefficient, which gives the magnitude of the potential dependence of the electrochemical reaction rates, is the key quantity for the elucidation of electrochemical reaction mechanisms. We introduce the application of an ac method to determine the apparent transfer coefficient alpha' for the oxidation of pre-adsorbed CO at polycrystalline and single-crystalline Pt electrodes in sulfuric acid. The method allows to record alpha' quasi continuously as a function of potential (and time) in cyclic voltammetry or at a fixed potential, with the reaction rate varying with time. At all surfaces (Pt(poly), Pt(111), Pt(665), and Pt(332)) we clearly observed a transition of the apparent transfer coefficient from values around 1.5 at low potentials to values around 0.5 at higher potentials. Changes of the apparent transfer coefficients for the CO oxidation with potential were observed previously, but only from around 0.7 to values as low as 0.2. In contrast, our experimental findings completely agree with the simulation by Koper et al., J. Chem. Phys., 1998, 109, 6051-6062. They can be understood in the framework of a Langmuir-Hinshelwood mechanism. The transition occurs when the sum of the rate constants for the forward reaction (first step: potential dependent OH adsorption, second step: potential dependent oxidation of CO(ad) with OH(ad)) exceeds the rate constant for the back-reaction of the first step. We expect that the ac method for the determination of the apparent transfer coefficient, which we used here, will be of great help also in many other cases, especially under steady conditions, where the major limitations of the method are avoided.

Atomic data on inelastic processes in low-energy manganese-hydrogen collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Voronov, Yaroslav V.

2017-10-01

Aims: The aim of this paper is to calculate cross sections and rate coefficients for inelastic processes in low-energy Mn + H and Mn+ + H- collisions, especially, for processes with high and moderate rate coefficients. These processes are required for non-local thermodynamic equilibrium (non-LTE) modeling of manganese spectra in cool stellar atmospheres, and in particular, for metal-poor stars. Methods: The calculations of the cross sections and the rate coefficients were performed by means of the quantum model approach within the framework of the Born-Oppenheimer formalism, that is, the asymptotic semi-empirical method for the electronic MnH molecular structure calculation followed by the nonadiabatic nuclear dynamical calculation by means of the multichannel analytic formulas. Results: The cross sections and the rate coefficients for low-energy inelastic processes in manganese-hydrogen collisions are calculated for all transitions between 21 low-lying covalent states and one ionic state. We show that the highest values of the cross sections and the rate coefficients correspond to the mutual neutralization processes into the final atomic states Mn(3d54s(7S)5s e 6S), Mn(3d54s(7S)5p y 8P°), Mn(3d54s(7S)5s e 8S), Mn(3d54s(7S)4d e 8D) [the first group], the processes with the rate coefficients (at temperature T = 6000 K) of the values 4.38 × 10-8, 2.72 × 10-8, 1.98 × 10-8, and 1.59 × 10-8 cm3/ s, respectively, that is, with the rate coefficients exceeding 10-8 cm3/ s. The processes with moderate rate coefficients, that is, with values between 10-10 and 10-8 cm3/ s include many excitation, de-excitation, mutual neutralization and ion-pair formation processes. In addition to other processes involving the atomic states from the first group, the processes from the second group include those involving the following atomic states: Mn(3d5(6S)4s4p (1P°) y 6P°), Mn(3d54s(7S)4d e 6D), Mn(3d54s(7S)5p w 6P°), Mn(3d5(4P)4s4p (3P°) y 6D°), Mn(3d5(4G)4s4p (3P°) y 6F°). The processes with the highest and moderate rate coefficients are expected to be important for non-LTE modeling of manganese spectra in stellar atmospheres. Rate coefficients Kif(T) for the excitation, de-excitation, mutual neutralization, and ion-pair formation processes in manganese-hydrogen collisions are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/606/A106

Kinetics of nitrosamine and amine reactions with NO3 radical and ozone related to aqueous particle and cloud droplet chemistry

NASA Astrophysics Data System (ADS)

Weller, Christian; Herrmann, Hartmut

2015-01-01

Aqueous phase reactivity experiments with the amines dimethylamine (DMA), diethanolamine (DEA) and pyrrolidine (PYL) and their corresponding nitrosamines nitrosodimethylamine (NDMA), nitrosodiethanolamine (NDEA) and nitrosopyrrolidine (NPYL) have been performed. NO3 radical reaction rate coefficients for DMA, DEA and PYL were measured for the first time and are 3.7 × 105, 8.2 × 105 and 8.7 × 105 M-1 s-1, respectively. Rate coefficients for NO3 + NDMA, NDEA and NPYL are 1.2 × 108, 2.3 × 108 and 2.4 × 108 M-1 s-1. Compared to OH radical rate coefficients for reactions with amines, the NO3 radical will most likely not be an important oxidant but it is a potential nighttime oxidant for nitrosamines in cloud droplets or deliquescent particles. Ozone is unreactive towards amines and nitrosamines and upper limits of rate coefficients suggest that aqueous ozone reactions are not important in atmospheric waters.

Integrated horizontal-flow anaerobic and radial-flow aerobic reactors for the removal of organic matter and nitrogen from domestic sewage.

PubMed

Vieira, L G T; Fazolo, A; Zaiat, M; Foresti, E

2003-01-01

This paper presents the conception and discusses the results obtained from the operation of an integrated biological anaerobic/aerobic/anaerobic system composed of horizontal-flow anaerobic and radial-flow aerobic reactors for domestic sewage treatment. The performance of a horizontal-flow anaerobic immobilized biomass reactor, with five stages,followed by a radial-flow aerobic immobilized biomass reactor was evaluated along 22 weeks. After the 14th week, the last stage of the HAIB reactor was used as a denitrifying unit. Polyurethane foam cubic matrices with 1-cm sides were used as support for biomass immobilization in all the units. The influent domestic sewage presented mean chemical oxygen demand of 365 +/- 71 mg. 1(-1) and the temperature was 23 +/- 3degrees C. The integrated system achieved COD removal efficiency of 90% while the maximum ammonium removal efficiency was 97% in the aerobic post-treatment unit. The nitrification process was found to be better represented by first-order reactions in series model. The apparent first-order kinetic coefficient for nitrate formation was about 50 times higher than that estimated for the nitrite formation. The denitrification process was well represented by a Monod-type kinetic model. The maximum specific denitrifying rate and the half-saturation coefficient were 2.9 x 10(-4) mg NO(3)(-)-N mg(-1) VSS h(-1) and 19.4 mg NO(3)(-)-N 1(-1), respectively.

Determination of reaction rates and activation energy in aerobic composting processes for yard waste.

PubMed

Uma, R N; Manjula, G; Meenambal, T

2007-04-01

The reaction rates and activation energy in aerobic composting processes for yard waste were determined using specifically designed reactors. Different mixture ratios were fixed before the commencement of the process. The C/N ratio was found to be optimum for a mixture ratio of 1:6 containing one part of coir pith to six parts of other waste which included yard waste, yeast sludge, poultry yard waste and decomposing culture (Pleurotosis). The path of stabilization of the wastes was continuously monitored by observing various parameters such as temperature, pH, Electrical Conductivity, C.O.D, VS at regular time intervals. Kinetic analysis was done to determine the reaction rates and activation energy for the optimum mixture ratio under forced aeration condition. The results of the analysis clearly indicated that the temperature dependence of the reaction rates followed the Arrhenius equation. The temperature coefficients were also determined. The degradation of the organic fraction of the yard waste could be predicted using first order reaction model.

Quantum treatment of field propagation in a fiber near the zero dispersion wavelength

NASA Astrophysics Data System (ADS)

Safaei, A.; Bassi, A.; Bolorizadeh, M. A.

2018-05-01

In this report, we present a quantum theory describing the propagation of the electromagnetic radiation in a fiber in the presence of the third order dispersion coefficient. We obtained the quantum photon-polariton field, hence, we provide herein a coupled set of operator forms for the corresponding nonlinear Schrödinger equations when the third order dispersion coefficient is included. Coupled stochastic nonlinear Schrödinger equations were obtained by applying a positive P-representation that governs the propagation and interaction of quantum solitons in the presence of the third-order dispersion term. Finally, to reduce the fluctuations near solitons in the first approximation, we developed coupled stochastic linear equations.

Thermal expansion behavior study of Co nanowire array with in situ x-ray diffraction and x-ray absorption fine structure techniques

NASA Astrophysics Data System (ADS)

Mo, Guang; Cai, Quan; Jiang, Longsheng; Wang, Wei; Zhang, Kunhao; Cheng, Weidong; Xing, Xueqing; Chen, Zhongjun; Wu, Zhonghua

2008-10-01

In situ x-ray diffraction and x-ray absorption fine structure techniques were used to study the structural change of ordered Co nanowire array with temperature. The results show that the Co nanowires are polycrystalline with hexagonal close packed structure without phase change up until 700 °C. A nonlinear thermal expansion behavior has been found and can be well described by a quadratic equation with the first-order thermal expansion coefficient of 4.3×10-6/°C and the second-order thermal expansion coefficient of 5.9×10-9/°C. The mechanism of this nonlinear thermal expansion behavior is discussed.

Solving ay'' + by' + cy = 0 with a Simple Product Rule Approach

ERIC Educational Resources Information Center

Tolle, John

2011-01-01

When elementary ordinary differential equations (ODEs) of first and second order are included in the calculus curriculum, second-order linear constant coefficient ODEs are typically solved by a method more appropriate to differential equations courses. This method involves the characteristic equation and its roots, complex-valued solutions, and…

Steady and transient sliding under rate-and-state friction

NASA Astrophysics Data System (ADS)

Putelat, Thibaut; Dawes, Jonathan H. P.

2015-05-01

The physics of dry friction is often modelled by assuming that static and kinetic frictional forces can be represented by a pair of coefficients usually referred to as μs and μk, respectively. In this paper we re-examine this discontinuous dichotomy and relate it quantitatively to the more general, and smooth, framework of rate-and-state friction. This is important because it enables us to link the ideas behind the widely used static and dynamic coefficients to the more complex concepts that lie behind the rate-and-state framework. Further, we introduce a generic framework for rate-and-state friction that unifies different approaches found in the literature. We consider specific dynamical models for the motion of a rigid block sliding on an inclined surface. In the Coulomb model with constant dynamic friction coefficient, sliding at constant velocity is not possible. In the rate-and-state formalism steady sliding states exist, and analysing their existence and stability enables us to show that the static friction coefficient μs should be interpreted as the local maximum at very small slip rates of the steady state rate-and-state friction law. Next, we revisit the often-cited experiments of Rabinowicz (J. Appl. Phys., 22:1373-1379, 1951). Rabinowicz further developed the idea of static and kinetic friction by proposing that the friction coefficient maintains its higher and static value μs over a persistence length before dropping to the value μk. We show that there is a natural identification of the persistence length with the distance that the block slips as measured along the stable manifold of the saddle point equilibrium in the phase space of the rate-and-state dynamics. This enables us explicitly to define μs in terms of the rate-and-state variables and hence link Rabinowicz's ideas to rate-and-state friction laws. This stable manifold naturally separates two basins of attraction in the phase space: initial conditions in the first one lead to the block eventually stopping, while in the second basin of attraction the sliding motion continues indefinitely. We show that a second definition of μs is possible, compatible with the first one, as the weighted average of the rate-and-state friction coefficient over the time the block is in motion.

Total Variation Diminishing (TVD) schemes of uniform accuracy

NASA Technical Reports Server (NTRS)

Hartwich, PETER-M.; Hsu, Chung-Hao; Liu, C. H.

1988-01-01

Explicit second-order accurate finite-difference schemes for the approximation of hyperbolic conservation laws are presented. These schemes are nonlinear even for the constant coefficient case. They are based on first-order upwind schemes. Their accuracy is enhanced by locally replacing the first-order one-sided differences with either second-order one-sided differences or central differences or a blend thereof. The appropriate local difference stencils are selected such that they give TVD schemes of uniform second-order accuracy in the scalar, or linear systems, case. Like conventional TVD schemes, the new schemes avoid a Gibbs phenomenon at discontinuities of the solution, but they do not switch back to first-order accuracy, in the sense of truncation error, at extrema of the solution. The performance of the new schemes is demonstrated in several numerical tests.

Measurement and modelling of forced convective heat transfer coefficient and pressure drop of Al2O3- and SiO2-water nanofluids

NASA Astrophysics Data System (ADS)

Julia, J. E.; Hernández, L.; Martínez-Cuenca, R.; Hibiki, T.; Mondragón, R.; Segarra, C.; Jarque, J. C.

2012-11-01

Forced convective heat transfer coefficient and pressure drop of SiO2- and Al2O3-water nanofluids were characterized. The experimental facility was composed of thermal-hydraulic loop with a tank with an immersed heater, a centrifugal pump, a bypass with a globe valve, an electromagnetic flow-meter, a 18 kW in-line pre-heater, a test section with band heaters, a differential pressure transducer and a heat exchanger. The test section consists of a 1000 mm long aluminium pipe with an inner diameter of 31.2 mm. Eighteen band heaters were placed all along the test section in order to provide a uniform heat flux. Heat transfer coefficient was calculated measuring fluid temperature using immersed thermocouples (Pt100) placed at both ends of the test section and surface thermocouples in 10 axial locations along the test section (Pt1000). The measurements have been performed for different nanoparticles (Al2O3 and SiO2 with primary size of 11 nm and 12 nm, respectively), volume concentrations (1% v., 5% v.), and flow rates (3 103Re<105). Maximum heat transfer coefficient enhancement (300%) and pressure drop penalty (1000%) is obtained with 5% v. SiO2 nanofluid. Existing correlations can predict, at least in a first approximation, the heat transfer coefficient and pressure drop of nanofluids if thermal conductivity, viscosity and specific heat were properly modelled.

Potential energy surface and rate coefficients of protonated cyanogen (HNCCN+) induced by collision with helium (He) at low temperature

NASA Astrophysics Data System (ADS)

Bop, Cheikh T.; Faye, N. AB; Hammami, K.

2018-05-01

Nitriles have been identified in space. Accurately modeling their abundance requires calculations of collisional rate coefficients. These data are obtained by first computing potential energy surfaces (PES) and cross-sections using high accurate quantum methods. In this paper, we report the first interaction potential of the HNCCN+-He collisional system along with downward rate coefficients among the 11 lowest rotational levels of HNCCN+. The PES was calculated using the explicitly correlated coupled cluster approach with simple, second and non-iterative triple excitation (CCSD(T)-F12) in conjunction with the augmented-correlation consistent-polarized valence triple zeta (aug-cc-pVTZ) Gaussian basis set. It presents two local minima of ˜283 and ˜136 cm-1, the deeper one is located at R = 9 a0 towards the H end (HeṡṡṡHNCCN+). Using the so-computed PES, we calculated rotational cross-sections of HNCCN+ induced by collision with He for energies ranging up to 500 cm-1 with the exact quantum mechanical close coupling (CC) method. Downward rate coefficients were then worked out by thermally averaging the cross-sections at low temperature (T ≤ 100 K). The discussion on propensity rules showed that the odd Δj transitions were favored. The results obtained in this work may be crucially needed to accurately model the abundance of cyanogen and its protonated form in space.

Species-to-species rate coefficients for the H3+ + H2 reacting system

NASA Astrophysics Data System (ADS)

Sipilä, O.; Harju, J.; Caselli, P.

2017-10-01

Aims: We study whether or not rotational excitation can make a large difference to chemical models of the abundances of the H3+ isotopologs, including spin states, in physical conditions corresponding to starless cores and protostellar envelopes. Methods: We developed a new rate coefficient set for the chemistry of the H3+ isotopologs, allowing for rotational excitation, using previously published state-to-state rate coefficients. These new so-called species-to-species rate coefficients are compared with previously-used ground-state-to-species rate coefficients by calculating chemical evolution in variable physical conditions using a pseudo-time-dependent chemical code. Results: We find that the new species-to-species model produces different results to the ground state-to-species model at high density and toward increasing temperatures (T> 10 K). The most prominent difference is that the species-to-species model predicts a lower H3+ deuteration degree at high density owing to an increase of the rate coefficients of endothermic reactions that tend to decrease deuteration. For example at 20 K, the ground-state-to-species model overestimates the abundance of H2D+ by a factor of about two, while the abundance of D3+ can differ by up to an order of magnitude between the models. The spin-state abundance ratios of the various H3+ isotopologs are also affected, and the new model better reproduces recent observations of the abundances of ortho and para H2D+ and D2H+. The main caveat is that the applicability regime of the new rate coefficients depends on the critical densities of the various rotational transitions which vary with the abundances of the species and the temperature in dense clouds. Conclusions: The difference in the abundances of the H3+ isotopologs predicted by the species-to-species and ground state-to-species models is negligible at 10 K corresponding to physical conditions in starless cores, but inclusion of the excited states is very important in studies of deuteration at higher temperatures, for example in protostellar envelopes. The species-to-species rate coefficients provide a more realistic approach to the chemistry of the H3+ isotopologs than the ground-state-to-species rate coefficients do, and so the former should be adopted in chemical models describing the chemistry of the H3+ + H2 reacting system.

A comparison of the reactivity of germylene and dimethylgermylene with some methylgermanes. Direct kinetic and quantum chemical studies.

PubMed

Becerra, Rosa; Boganov, Sergey E; Egorov, Mikhail P; Faustov, Valery I; Krylova, Irina V; Nefedov, Oleg M; Promyslov, Vladimir M; Walsh, Robin

2007-08-21

Time-resolved studies of germylene, GeH(2), and dimethygermylene, GeMe(2), generated by the 193 nm laser flash photolysis of appropriate precursor molecules have been carried out to try to obtain rate coefficients for their bimolecular reactions with dimethylgermane, Me(2)GeH(2), in the gas-phase. GeH(2) + Me(2)GeH(2) was studied over the pressure range 1-100 Torr with SF(6) as bath gas and at five temperatures in the range 296-553 K. Only slight pressure dependences were found (at 386, 447 and 553 K). RRKM modelling was carried out to fit these pressure dependences. The high pressure rate coefficients gave the Arrhenius parameters: log(A/cm(3) molecule(-1) s(-1)) = -10.99 +/- 0.07 and E(a) =-(7.35 +/- 0.48) kJ mol(-1). No reaction could be found between GeMe(2) + Me(2)GeH(2) at any temperature up to 549 K, and upper limits of ca. 10(-14) cm(3) molecule(-1) s(-1) were set for the rate coefficients. A rate coefficient of (1.33 +/- 0.04) x 10(-10) cm(3) molecule(-1) s(-1) was also obtained for GeH(2) + MeGeH(3) at 296 K. No reaction was found between GeMe(2) and MeGeH(3). Rate coefficient comparisons showed, inter alia, that in the substrate germane Me-for-H substitution increased the magnitudes of rate coefficients significantly, while in the germylene Me-for-H substitution decreased the magnitudes of rate coefficients by at least four orders of magnitude. Quantum chemical calculations (G2(MP2,SVP)//B3LYP level) supported these findings and showed that the lack of reactivity of GeMe(2) is caused by a positive energy barrier for rearrangement of the initially formed complexes. Full details of the structures of intermediate complexes and the discussion of their stabilities are given in the paper.

Rotational relaxation of CF+(X1Σ) in collision with He(1S)

NASA Astrophysics Data System (ADS)

Denis-Alpizar, O.; Inostroza, N.; Castro Palacio, J. C.

2018-01-01

The carbon monofluoride cation (CF+) has been detected recently in Galactic and extragalactic regions. Therefore, excitation rate coefficients of this molecule in collision with He and H2 are necessary for a correct interpretation of the astronomical observations. The main goal of this work is to study the collision of CF+ with He in full dimensionality at the close-coupling level and to report a large set of rotational rate coefficients. New ab initio interaction energies at the CCSD(T)/aug-cc-pv5z level of theory were computed, and a three-dimensional potential energy surface was represented using a reproducing kernel Hilbert space. Close-coupling scattering calculations were performed at collisional energies up to 1600 cm-1 in the ground vibrational state. The vibrational quenching cross-sections were found to be at least three orders of magnitude lower than the pure rotational cross-sections. Also, the collisional rate coefficients were reported for the lowest 20 rotational states of CF+ and an even propensity rule was found to be in action only for j > 4. Finally, the hyperfine rate coefficients were explored. These data can be useful for the determination of the interstellar conditions where this molecule has been detected.

Theoretical investigation of exchange and recombination reactions in O(3P)+NO(2Π) collisions

NASA Astrophysics Data System (ADS)

Ivanov, M. V.; Zhu, H.; Schinke, R.

2007-02-01

We present a detailed dynamical study of the kinetics of O(P3)+NO(Π2) collisions including O atom exchange reactions and the recombination of NO2. The classical trajectory calculations are performed on the lowest A'2 and A″2 potential energy surfaces, which were calculated by ab initio methods. The calculated room temperature exchange reaction rate coefficient, kex, is in very good agreement with the measured one. The high-pressure recombination rate coefficient, which is given by the formation rate coefficient and to a good approximation equals 2kex, overestimates the experimental data by merely 20%. The pressure dependence of the recombination rate, kr, is described within the strong-collision model by assigning a stabilization probability to each individual trajectory. The measured falloff curve is well reproduced over five orders of magnitude by a single parameter, i.e., the strong-collision stabilization frequency. The calculations also yield the correct temperature dependence, kr∝T-1.5, of the low-pressure recombination rate coefficient. The dependence of the rate coefficients on the oxygen isotopes are investigated by incorporating the difference of the zero-point energies between the reactant and product NO radicals, ΔZPE, into the potential energy surface. Similar isotope effects as for ozone are predicted for both the exchange reaction and the recombination. Finally, we estimate that the chaperon mechanism is not important for the recombination of NO2, which is in accord with the overall T-1.4 dependence of the measured recombination rate even in the low temperature range.

Rotational excitation of HCN by para- and ortho-H₂.

PubMed

Vera, Mario Hernández; Kalugina, Yulia; Denis-Alpizar, Otoniel; Stoecklin, Thierry; Lique, François

2014-06-14

Rotational excitation of the hydrogen cyanide (HCN) molecule by collisions with para-H2(j = 0, 2) and ortho-H2(j = 1) is investigated at low temperatures using a quantum time independent approach. Both molecules are treated as rigid rotors. The scattering calculations are based on a highly correlated ab initio 4-dimensional (4D) potential energy surface recently published. Rotationally inelastic cross sections among the 13 first rotational levels of HCN were obtained using a pure quantum close coupling approach for total energies up to 1200 cm(-1). The corresponding thermal rate coefficients were computed for temperatures ranging from 5 to 100 K. The HCN rate coefficients are strongly dependent on the rotational level of the H2 molecule. In particular, the rate coefficients for collisions with para-H2(j = 0) are significantly lower than those for collisions with ortho-H2(j = 1) and para-H2(j = 2). Propensity rules in favor of even Δj transitions were found for HCN in collisions with para-H2(j = 0) whereas propensity rules in favor of odd Δj transitions were found for HCN in collisions with H2(j ⩾ 1). The new rate coefficients were compared with previously published HCN-para-H2(j = 0) rate coefficients. Significant differences were found due the inclusion of the H2 rotational structure in the scattering calculations. These new rate coefficients will be crucial to improve the estimation of the HCN abundance in the interstellar medium.

Rapid solidification of metallic particulates

NASA Technical Reports Server (NTRS)

Grant, N. J.

1982-01-01

In order to maximize the heat transfer coefficient the most important variable in rapid solidification is the powder particle size. The finer the particle size, the higher the solidification rate. Efforts to decrease the particle size diameter offer the greatest payoff in attained quench rate. The velocity of the liquid droplet in the atmosphere is the second most important variable. Unfortunately the choices of gas atmospheres are sharply limited both because of conductivity and cost. Nitrogen and argon stand out as the preferred gases, nitrogen where reactions are unimportant and argon where reaction with nitrogen may be important. In gas atomization, helium offers up to an order of magnitude increase in solidification rate over argon and nitrogen. By contrast, atomization in vacuum drops the quench rate several orders of magnitude.

Atmospheric autoxidation is increasingly important in urban and suburban North America

NASA Astrophysics Data System (ADS)

Praske, Eric; Otkjær, Rasmus V.; Crounse, John D.; Caleb Hethcox, J.; Stoltz, Brian M.; Kjaergaard, Henrik G.; Wennberg, Paul O.

2018-01-01

Gas-phase autoxidation—regenerative peroxy radical formation following intramolecular hydrogen shifts—is known to be important in the combustion of organic materials. The relevance of this chemistry in the oxidation of organics in the atmosphere has received less attention due, in part, to the lack of kinetic data at relevant temperatures. Here, we combine computational and experimental approaches to investigate the rate of autoxidation for organic peroxy radicals (RO2) produced in the oxidation of a prototypical atmospheric pollutant, n-hexane. We find that the reaction rate depends critically on the molecular configuration of the RO2 radical undergoing hydrogen transfer (H-shift). RO2 H-shift rate coefficients via transition states involving six- and seven-membered rings (1,5 and 1,6 H-shifts, respectively) of α-OH hydrogens (HOC-H) formed in this system are of order 0.1 s‑1 at 296 K, while the 1,4 H-shift is calculated to be orders of magnitude slower. Consistent with H-shift reactions over a substantial energetic barrier, we find that the rate coefficients of these reactions increase rapidly with temperature and exhibit a large, primary, kinetic isotope effect. The observed H-shift rate coefficients are sufficiently fast that, as a result of ongoing NOx emission reductions, autoxidation is now competing with bimolecular chemistry even in the most polluted North American cities, particularly during summer afternoons when NO levels are low and temperatures are elevated.

CONSANGUINITY AND INBREEDING COEFFICIENT IN TRIBAL PASHTUNS INHABITING THE TURBULENT AND WAR-AFFECTED TERRITORY OF BAJAUR AGENCY, NORTH-WEST PAKISTAN.

PubMed

Ahmad, Bashir; Rehman, Atta Ur; Malik, Sajid

2016-01-01

The north-western populations of Pakistan in the Federally Administered Tribal Areas (FATA) adjoining the Pakistan-Afghanistan border are an amalgamation of native and migrated Pashtun tribes. These tribal populations are in transition due to war conditions and geo-political turmoil on both sides of the border since the Soviet invasion in 1979. Bio-demographic and epidemiological data for these tribes are scarce. A prospective cross-sectional sample of 967 males was selected from a representative Pashtun population of Bajaur Agency, and information obtained on bio-demographic variables and marital union types. Analysis of these data revealed that consanguinity was 22.34% and the inbreeding coefficient F was calculated to be 0.0134. The inbreeding coefficient was observed to be higher in subjects who were illiterate, had unskilled jobs and who belonged to younger age categories, extended families and the Tarkalani tribe. Further analyses with respect to temporal variables like subject's age, year of marriage and age at marriage revealed that after a transition in marital union types in the early 80s, there has been a declining trend in the rate of consanguineous unions. Further, consanguineous unions in the parental generation were only 5%, but parental marriage types were predictors of subjects' marital union types. The data further establish that, contrary to a general notion about a high consanguinity rate in Pakistan, consanguineous unions are not common in Bajaur Agency and first cousin marriage is not the preferred type. Furthermore, this research shows that there is a great regional variation in the pattern of consanguinity in Pakistan that needs to be documented in order to draw a more comprehensive picture of the inbreeding coefficient in the country.

Characterization of architectural distortion on mammograms using a linear energy detector

NASA Astrophysics Data System (ADS)

Alvarez, Jorge; Narváez, Fabián.; Poveda, César; Romero, Eduardo

2013-11-01

Architectural distortion is a breast cancer sign, characterized by spiculated patterns that define the disease malignancy level. In this paper, the radial spiculae of a typical architectural distortion were characterized by a new strategy. Firstly, previously selected Regions of Interest are divided into a set of parallel and disjoint bands (4 pixels the ROI length), from which intensity integrals (coefficients) are calculated. This partition is rotated every two degrees, searching in the phase plane the characteristic radial spiculation. Then, these coefficients are used to construct a fully connected graph whose edges correspond to the integral values or coefficients and the nodes to x and y image positions. A centrality measure like the first eigenvector is used to extract a set of discriminant coefficients that represent the locations with higher linear energy. Finally, the approach is trained using a set of 24 Regions of Interest obtained from the MIAS database, namely, 12 Architectural Distortions and 12 controls. The first eigenvector is then used as input to a conventional Support Vector Machine classifier whose optimal parameters were obtained by a leave-one-out cross validation. The whole method was assessed in a set of 12 RoIs with different distribution of breast tissues (normal and abnormal), and the classification results were compared against a ground truth, already provided by the data base, showing a precision rate of 0.583%, a sensitivity rate of 0.833% and a specificity rate of 0.333%.

"Spin-dependent" \\varvec{μ → e} conversion on light nuclei

NASA Astrophysics Data System (ADS)

Davidson, Sacha; Kuno, Yoshitaka; Saporta, Albert

2018-02-01

The experimental sensitivity to μ → e conversion will improve by four or more orders of magnitude in coming years, making it interesting to consider the "spin-dependent" (SD) contribution to the rate. This process does not benefit from the atomic-number-squared enhancement of the spin-independent (SI) contribution, but probes different operators. We give details of our recent estimate of the spin-dependent rate, expressed as a function of operator coefficients at the experimental scale. Then we explore the prospects for distinguishing coefficients or models by using different targets, both in an EFT perspective, where a geometric representation of different targets as vectors in coefficient space is introduced, and also in three leptoquark models. It is found that comparing the rate on isotopes with and without spin could allow one to detect spin-dependent coefficients that are at least a factor of few larger than the spin-independent ones. Distinguishing among the axial, tensor and pseudoscalar operators that induce the SD rate would require calculating the nuclear matrix elements for the second two. Comparing the SD rate on nuclei with an odd proton vs. odd neutron could allow one to distinguish operators involving u quarks from those involving d quarks; this is interesting because the distinction is difficult to make for SI operators.

Evaluation of the difference in the rate coefficients of F2 + NOx (x = 1 or 2) → F + FNOx by the stereochemical arrangement using the density functional theory.

PubMed

Tajima, Satomi; Hayashi, Toshio; Hori, Masaru

2015-02-26

The rate coefficient of F2 + NO → F + FNO is 2 to 5 orders of magnitude higher than that of F2 + NO2 → F + FNO2 even though bond energies of FNO and FNO2 only differ by ∼0.2 eV. To understand the cause of having different rate coefficients of these two reactions, the change in total energies was calculated by varying the stereochemical arrangement of F2 with respect to NOx (x = 1 or 2) by the density functional theory (DFT), using CAM-B3LYP/6-311 G+(d) in the Gaussian program. The permitted approaching angle between the x-axis and the plane consisting of O, N, F, and ϕ plays a key role to restrict the reaction of NO2 and F2 compared to the reaction of NO and F2. This restriction in the reaction space is considered to be the main cause of different rate coefficients depending on the selection of x = 1 or 2 of the reaction of F2 + NOx → F + FNOx, which was also confirmed by the difference in Si etch rate using the F formed by those reactions.

Influence of Triply-Charged Ions and Ionization Cross-Sections in a Hybrid-PIC Model of a Hall Thruster Discharge

NASA Technical Reports Server (NTRS)

Smith, Brandon D.; Boyd, Iain D.; Kamhawi, Hani

2014-01-01

The sensitivity of xenon ionization rates to collision cross-sections is studied within the framework of a hybrid-PIC model of a Hall thruster discharge. A revised curve fit based on the Drawin form is proposed and is shown to better reproduce the measured crosssections at high electron energies, with differences in the integrated rate coefficients being on the order of 10% for electron temperatures between 20 eV and 30 eV. The revised fit is implemented into HPHall and the updated model is used to simulate NASA's HiVHAc EDU2 Hall thruster at discharge voltages of 300, 400, and 500 V. For all three operating points, the revised cross-sections result in an increase in the predicted thrust and anode efficiency, reducing the error relative to experimental performance measurements. Electron temperature and ionization reaction rates are shown to follow the trends expected based on the integrated rate coefficients. The effects of triply-charged xenon are also assessed. The predicted thruster performance is found to have little or no dependence on the presence of triply-charged ions. The fraction of ion current carried by triply-charged ions is found to be on the order of 1% and increases slightly with increasing discharge voltage. The reaction rates for the 0?III, I?III, and II?III ionization reactions are found to be of similar order of magnitude and are about one order of magnitude smaller than the rate of 0?II ionization in the discharge channel.

CFD simulation of simultaneous monotonic cooling and surface heat transfer coefficient

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mihálka, Peter, E-mail: usarmipe@savba.sk; Matiašovský, Peter, E-mail: usarmat@savba.sk

The monotonic heating regime method for determination of thermal diffusivity is based on the analysis of an unsteady-state (stabilised) thermal process characterised by an independence of the space-time temperature distribution on initial conditions. At the first kind of the monotonic regime a sample of simple geometry is heated / cooled at constant ambient temperature. The determination of thermal diffusivity requires the determination rate of a temperature change and simultaneous determination of the first eigenvalue. According to a characteristic equation the first eigenvalue is a function of the Biot number defined by a surface heat transfer coefficient and thermal conductivity ofmore » an analysed material. Knowing the surface heat transfer coefficient and the first eigenvalue the thermal conductivity can be determined. The surface heat transport coefficient during the monotonic regime can be determined by the continuous measurement of long-wave radiation heat flow and the photoelectric measurement of the air refractive index gradient in a boundary layer. CFD simulation of the cooling process was carried out to analyse local convective and radiative heat transfer coefficients more in detail. Influence of ambient air flow was analysed. The obtained eigenvalues and corresponding surface heat transfer coefficient values enable to determine thermal conductivity of the analysed specimen together with its thermal diffusivity during a monotonic heating regime.« less

Collisional excitation of HC3N by para- and ortho-H2

NASA Astrophysics Data System (ADS)

Faure, Alexandre; Lique, François; Wiesenfeld, Laurent

2016-08-01

New calculations for rotational excitation of cyanoacetylene by collisions with hydrogen molecules are performed to include the lowest 38 rotational levels of HC3N and kinetic temperatures to 300 K. Calculations are based on the interaction potential of Wernli et al. whose accuracy is checked against spectroscopic measurements of the HC3N-H2 complex. The quantum coupled-channel approach is employed and complemented by quasi-classical trajectory calculations. Rate coefficients for ortho-H2 are provided for the first time. Hyperfine resolved rate coefficients are also deduced. Collisional propensity rules are discussed and comparisons between quantum and classical rate coefficients are presented. This collisional data should prove useful in interpreting HC3N observations in the cold and warm ISM, as well as in protoplanetary discs.

Informed Conjecturing of Solutions for Differential Equations in a Modeling Context

ERIC Educational Resources Information Center

Winkel, Brian

2015-01-01

We examine two differential equations. (i) first-order exponential growth or decay; and (ii) second order, linear, constant coefficient differential equations, and show the advantage of learning differential equations in a modeling context for informed conjectures of their solution. We follow with a discussion of the complete analysis afforded by…

Soil clay content controls the turnover of slow soil carbon across Chinese cropland

NASA Astrophysics Data System (ADS)

Feng, W.; Jiang, J.; Li, J.

2017-12-01

Improving the prediction of changes in global soil organic carbon (SOC) lies in accurate estimate of C inputs to soils and SOC turnover time. Since C inputs to soils in cropland can be estimated due to well documented data of crop yields, SOC turnover rate becomes critical for accurate prediction of changes in SOC. The laboratory incubation is widely used but cannot well represent the turnover of slow soil C that accounts for the majority of total SOC, while the long-term observation of temporal changes in SOC stock offers an opportunity to estimate the turnover of slow soil C. Using time series data of SOC stock of twenty long-term agricultural trials that have initiated since 1990 in China, we estimated SOC turnover rates based on changes in soil C pool size and aimed to identify the dominant controls on SOC turnover rate across Chinese cropland. We used the two-pool first-order kinetic soil C model and the inverse modeling with Markov chain the Monte Carlo algorithm, and estimated humification coefficient (h) of C inputs to soils, turnover rates of fast and slow soil C pools, and the transfer coefficient between these two soil C pools. The preliminary results show that the turnover rate of slow soil C is positively correlated with climate (i.e. mean annual temperature and precipitation) but negatively correlated with the clay content, demonstrating that the clay content is important in regulating SOC turnover rates. The ratio of humification coefficient to C turnover rate (h/k) that indicates soil C sequestration efficiency, is negatively correlated with climate and positively correlated with the clay content. In addition, the quantity of C inputs is correlated with h/k and the turnover rate of slow soil C, suggesting that the quantity of C inputs plays an important role in mediating C sequestration efficiency. Further results will inform us the main controls on SOC turnover in Chinese cropland. Keywords: SOC; turnover; long-term trial; temporal change; clay content; inverse modeling

GROUND WATER ISSUE - CALCULATION AND USE OF FIRST-ORDER RATE CONSTANTS FOR MONITORED NATURAL ATTENUATION STUDIES

EPA Science Inventory

This issue paper explains when and how to apply first-order attenuation rate constant calculations in monitored natural attenuation (MNA) studies. First-order attenuation rate constant calculations can be an important tool for evaluating natural attenuation processes at ground-wa...

Removal Rate of Organic Matter Using Natural Cellulose via Adsorption Isotherm and Kinetic Studies.

PubMed

Din, Mohd Fadhil Md; Ponraj, Mohanadoss; Low, Wen-Pei; Fulazzaky, Mohamad Ali; Iwao, Kenzo; Songip, Ahmad Rahman; Chelliapan, Shreeshivadasan; Ismail, Zulhilmi; Jamal, Mohamad Hidayat

2016-02-01

In this study, the removal of natural organic matter (NOM) using coconut fiber (CF) and palm oil fiber (POF) was investigated. Preliminary analysis was performed using a jar test for the selection of optimal medium before the fabricated column model experiment. The equilibrium studies on isotherms and kinetic models for NOM adsorption were analyzed using linearized correlation coefficient. Results showed that the equilibrium data were fitted to Langmuir isotherm model for both CF and POF. The most suitable adsorption model was the pseudo-first-order kinetic model for POF and pseudo-second-order kinetic model for CF. The adsorption capacities achieved by the CF and POF were 15.67 and 30.8 mg/g respectively. Based on this investigation, it can be concluded that the POF is the most suitable material for the removal of NOM in semi polluted river water.

[Surface electromyography signal classification using gray system theory].

PubMed

Xie, Hongbo; Ma, Congbin; Wang, Zhizhong; Huang, Hai

2004-12-01

A new method based on gray correlation was introduced to improve the identification rate in artificial limb. The electromyography (EMG) signal was first transformed into time-frequency domain by wavelet transform. Singular value decomposition (SVD) was then used to extract feature vector from the wavelet coefficient for pattern recognition. The decision was made according to the maximum gray correlation coefficient. Compared with neural network recognition, this robust method has an almost equivalent recognition rate but much lower computation costs and less training samples.

Composition Dependence of the Hydrostatic Pressure Coefficients of the Bandgap of ZnSe(1-x)Te(x) Alloys

NASA Technical Reports Server (NTRS)

Wu, J.; Yu, K. M.; Walukiewicz, W.; Shan, W.; Ager, J. W., III; Haller, E. E.; Miotkowski, I.; Ramdas, A. K.; Su, Ching-Hua

2003-01-01

Optical absorption experiments have been performed using diamond anvil cells to measure the hydrostatic pressure dependence of the fundamental bandgap of ZnSe(sub 1-xTe(sub x) alloys over the entire composition range. The first and second-order pressure coefficients are obtained as a function of composition. Starting from the ZnSe side, the magnitude of both coefficients increases slowly until x approx. 0.7, where the ambient-pressure bandgap reaches a minimum. For larger values of x the coefficients rapidly approach the values of ZnTe. The large deviations of the pressure coefficients from the linear interpolation between ZnSe and ZnTe are explained in terms of the band anticrossing model.

N3LO corrections to jet production in deep inelastic scattering using the Projection-to-Born method

NASA Astrophysics Data System (ADS)

Currie, J.; Gehrmann, T.; Glover, E. W. N.; Huss, A.; Niehues, J.; Vogt, A.

2018-05-01

Computations of higher-order QCD corrections for processes with exclusive final states require a subtraction method for real-radiation contributions. We present the first-ever generalisation of a subtraction method for third-order (N3LO) QCD corrections. The Projection-to-Born method is used to combine inclusive N3LO coefficient functions with an exclusive second-order (NNLO) calculation for a final state with an extra jet. The input requirements, advantages, and potential applications of the method are discussed, and validations at lower orders are performed. As a test case, we compute the N3LO corrections to kinematical distributions and production rates for single-jet production in deep inelastic scattering in the laboratory frame, and compare them with data from the ZEUS experiment at HERA. The corrections are small in the central rapidity region, where they stabilize the predictions to sub per-cent level. The corrections increase substantially towards forward rapidity where large logarithmic effects are expected, thereby yielding an improved description of the data in this region.

Evolution of arbitrary moments of radiant intensity distribution for partially coherent general beams in atmospheric turbulence

NASA Astrophysics Data System (ADS)

Dan, Youquan; Xu, Yonggen

2018-04-01

The evolution law of arbitrary order moments of the Wigner distribution function, which can be applied to the different spatial power spectra, is obtained for partially coherent general beams propagating in atmospheric turbulence using the extended Huygens-Fresnel principle. A coupling coefficient of radiant intensity distribution (RID) in turbulence is introduced. Analytical expressions of the evolution of the first five-order moments, kurtosis parameter, coupling coefficient of RID for general beams in turbulence are derived, and the formulas are applied to Airy beams. Results show that there exist two types for general beams in turbulence. A larger value of kurtosis parameter for Airy beams also reveals that coupling effect due to turbulence is stronger. Both theoretical analysis and numerical results show that the maximum value of kurtosis parameter for an Airy beam in turbulence is independent of turbulence strength parameter and is only determined by inner scale of turbulence. Relative angular spread, kurtosis and coupling coefficient are less influenced by turbulence for Airy beams with a smaller decay factor and a smaller initial width of the first lobe.

Rotordynamic coefficients for stepped labyrinth gas seals

NASA Technical Reports Server (NTRS)

Scharrer, Joseph K.

1989-01-01

The basic equations are derived for compressible flow in a stepped labyrinth gas seal. The flow is assumed to be completely turbulent in the circumferential direction where the friction factor is determined by the Blasius relation. Linearized zeroth and first-order perturbation equations are developed for small motion about a centered position by an expansion in the eccentricity ratio. The zeroth-order pressure distribution is found by satisfying the leakage equation while the circumferential velocity distribution is determined by satisfying the momentum equations. The first order equations are solved by a separation of variables solution. Integration of the resultant pressure distribution along and around the seal defines the reaction force developed by the seal and the corresponding dynamic coefficients. The results of this analysis are presented in the form of a parametric study, since there are no known experimental data for the rotordynamic coefficients of stepped labyrinth gas seals. The parametric study investigates the relative rotordynamic stability of convergent, straight and divergent stepped labyrinth gas seals. The results show that, generally, the divergent seal is more stable, rotordynamically, than the straight or convergent seals. The results also show that the teeth-on-stator seals are not always more stable, rotordynamically, then the teeth-on-rotor seals as was shown by experiment by Childs and Scharrer (1986b) for a 15 tooth seal.

Equilibrium sorption and diffusion rate studies with halogenated organic chemical and sandy aquifer material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ball, W.P.

1990-01-01

Concepts for rate limitation of sorptive uptake of hydrophobic organic solutes by aquifer solids are reviewed, emphasizing physical diffusion models and in the context of effects on contaminant transport. Data for the sorption of tetrachloroethene (PCE) and 1,2,4,5-tetrachlorobenzene (TeCB) on Borden sand are presented, showing that equilibrium is attained very slowly, requiring equilibration times on the order of tens of days for PCE and hundreds of days for TeCB. The rate of approach to equilibrium decreased with increasing particle size and sorption distribution coefficient, in accordance with retarded intragranular diffusion models. Pulverization of the samples significantly decreased the required timemore » to equilibrium without changing the sorption capacity of the solids. Batch sorption methodology was refined to allow accurate measurement of long-term distribution coefficients, using purified {sup 14}C-labelled solute spikes and sealed glass ampules. Sorption isotherms for PCE and TeCB were conducted with size fractions of Borden sand over four to five orders of magnitude in aqueous concentration, and were found to be slightly nonlinear (Freundlich exponent = 0.8). A concentrated set of data in the low concentration range (<50 ug/L) revealed that sorption in this range could be equally well described by a linear isotherm. Distribution coefficients of the two solutes with seven size fractions of Borden sand, measured at low concentration and at full equilibrium, were between seven and sixty times the value predicted on the basis of recent correlations with organic carbon content. Rate results for coarse size fractions support a simple pore diffusion model, with pore diffusion coefficients estimated to be approximately 3 {times} 10{sup {minus}8} cm{sup 2}/sec, more than 200{times} lower than the aqueous diffusivities.« less

Adaptive threshold shearlet transform for surface microseismic data denoising

NASA Astrophysics Data System (ADS)

Tang, Na; Zhao, Xian; Li, Yue; Zhu, Dan

2018-06-01

Random noise suppression plays an important role in microseismic data processing. The microseismic data is often corrupted by strong random noise, which would directly influence identification and location of microseismic events. Shearlet transform is a new multiscale transform, which can effectively process the low magnitude of microseismic data. In shearlet domain, due to different distributions of valid signals and random noise, shearlet coefficients can be shrunk by threshold. Therefore, threshold is vital in suppressing random noise. The conventional threshold denoising algorithms usually use the same threshold to process all coefficients, which causes noise suppression inefficiency or valid signals loss. In order to solve above problems, we propose the adaptive threshold shearlet transform (ATST) for surface microseismic data denoising. In the new algorithm, we calculate the fundamental threshold for each direction subband firstly. In each direction subband, the adjustment factor is obtained according to each subband coefficient and its neighboring coefficients, in order to adaptively regulate the fundamental threshold for different shearlet coefficients. Finally we apply the adaptive threshold to deal with different shearlet coefficients. The experimental denoising results of synthetic records and field data illustrate that the proposed method exhibits better performance in suppressing random noise and preserving valid signal than the conventional shearlet denoising method.

Grey water biodegradability.

PubMed

Ghunmi, Lina Abu; Zeeman, Grietje; Fayyad, Manar; van Lier, Jules B

2011-02-01

Knowing the biodegradability characteristics of grey water constituents is imperative for a proper design and operation of a biological treatment system of grey water. This study characterizes the different COD fractions of dormitory grey water and investigates the effect of applying different conditions in the biodegradation test. The maximum aerobic and anaerobic biodegradability and conversion rate for the different COD fractions is determined. The results show that, on average, dormitory grey water COD fractions are 28% suspended, 32% colloidal and 40% dissolved. The studied factors incubation time, inoculum addition and temperature are influencing the determined biodegradability. The maximum biodegradability and biodegradation rate differ between different COD fractions, viz. COD(ss), COD(col) and COD(diss). The dissolved COD fraction is characterised by the lowest degradation rate, both for anaerobic and aerobic conditions. The maximum biodegradability for aerobic and anaerobic conditions is 86 and 70% respectively, whereas the first order conversion rate constant, k₂₀, is 0.119 and 0.005 day⁻¹, respectively. The anaerobic and aerobic conversion rates in relation to temperature can be described by the Arrhenius relation, with temperature coefficients of 1.069 and 1.099, respectively.

Transformation of carbon tetrachloride and chloroform by trichloroethene respiring anaerobic mixed cultures and supernatant.

PubMed

Vickstrom, Kyle E; Azizian, Mohammad F; Semprini, Lewis

2017-09-01

Carbon tetrachloride (CT) and chloroform (CF) were transformed in batch reactor experiments conducted with anaerobic dechlorinating cultures and supernatant (ADC + S) harvested from continuous flow reactors. The Evanite (EV) and Victoria/Stanford (VS) cultures, capable of respiring trichloroethene (TCE), 1,2-cis-dichloroethene (cDCE), and vinyl chloride (VC) to ethene (ETH), were grown in continuous flow reactors receiving an influent feed of saturated TCE (10 mM; 60 mEq) and formate (45 mM; 90 mEq) but no CT or CF. Cells and supernatant were harvested from the chemostats and inoculated into batch reactors at the onset of each experiment. CT transformation was complete following first order kinetics with CF, DCM and CS 2 as the measurable transformation products, representing 20-40% of the original mass of CT, with CO 2 likely the unknown transformation product. CF was transformed to DCM and likely CO 2 at an order of magnitude rate lower than CT, while DCM was not further transformed. An analytical first order model including multiple key reactions effectively simulated CT transformation, product formation and transformation, and provided reasonable estimates of transformation rate coefficients. Biotic and abiotic treatments indicated that CT was mainly transformed via abiotic processes. However, the presence of live cells was associated with the transformation of CF to DCM. In biotic tests both TCE and CT were simultaneously transformed, with TCE transformed to ETH and approximately 15-53% less CF formed via CT transformation. A 14-day exposure to CF (CF max  = 1.4 μM) reduced all rates of chlorinated ethene respiration by a factor of 10 or greater. Copyright © 2017 Elsevier Ltd. All rights reserved.

Higher-order rogue wave-like solutions for a nonautonomous nonlinear Schrödinger equation with external potentials

NASA Astrophysics Data System (ADS)

Liu, Lei; Tian, Bo; Wu, Xiao-Yu; Sun, Yan

2018-02-01

Under investigation in this paper is the higher-order rogue wave-like solutions for a nonautonomous nonlinear Schrödinger equation with external potentials which can be applied in the nonlinear optics, hydrodynamics, plasma physics and Bose-Einstein condensation. Based on the Kadomtsev-Petviashvili hierarchy reduction, we construct the Nth order rogue wave-like solutions in terms of the Gramian under the integrable constraint. With the help of the analytic and graphic analysis, we exhibit the first-, second- and third-order rogue wave-like solutions through the different dispersion, nonlinearity and linear potential coefficients. We find that only if the dispersion and nonlinearity coefficients are proportional to each other, heights of the background of those rogue waves maintain unchanged with time increasing. Due to the existence of complex parameters, such nonautonomous rogue waves in the higher-order cases have more complex features than those in the lower.

A multi-species reactive transport model to estimate biogeochemical rates based on single-well push-pull test data

NASA Astrophysics Data System (ADS)

Phanikumar, Mantha S.; McGuire, Jennifer T.

2010-08-01

Push-pull tests are a popular technique to investigate various aquifer properties and microbial reaction kinetics in situ. Most previous studies have interpreted push-pull test data using approximate analytical solutions to estimate (generally first-order) reaction rate coefficients. Though useful, these analytical solutions may not be able to describe important complexities in rate data. This paper reports the development of a multi-species, radial coordinate numerical model (PPTEST) that includes the effects of sorption, reaction lag time and arbitrary reaction order kinetics to estimate rates in the presence of mixing interfaces such as those created between injected "push" water and native aquifer water. The model has the ability to describe an arbitrary number of species and user-defined reaction rate expressions including Monod/Michelis-Menten kinetics. The FORTRAN code uses a finite-difference numerical model based on the advection-dispersion-reaction equation and was developed to describe the radial flow and transport during a push-pull test. The accuracy of the numerical solutions was assessed by comparing numerical results with analytical solutions and field data available in the literature. The model described the observed breakthrough data for tracers (chloride and iodide-131) and reactive components (sulfate and strontium-85) well and was found to be useful for testing hypotheses related to the complex set of processes operating near mixing interfaces.

Thermodynamic properties of diamond and wurtzite model fluids from computer simulation and thermodynamic perturbation theory

NASA Astrophysics Data System (ADS)

Zhou, S.; Solana, J. R.

2018-03-01

Monte Carlo NVT simulations have been performed to obtain the thermodynamic and structural properties and perturbation coefficients up to third order in the inverse temperature expansion of the Helmholtz free energy of fluids with potential models proposed in the literature for diamond and wurtzite lattices. These data are used to analyze performance of a coupling parameter series expansion (CPSE). The main findings are summarized as follows, (1) The CPSE provides accurate predictions of the first three coefficient in the inverse temperature expansion of Helmholtz free energy for the potential models considered and the thermodynamic properties of these fluids are predicted more accurately when the CPSE is truncated at second or third order. (2) The Barker-Henderson (BH) recipe is appropriate for determining the effective hard sphere diameter for strongly repulsive potential cores, but its performance worsens with increasing the softness of the potential core. (3) For some thermodynamic properties the first-order CPSE works better for the diamond potential, whose tail is dominated by repulsive interactions, than for the potential, whose tail is dominated by attractive interactions. However, the first-order CPSE provides unsatisfactory results for the excess internal energy and constant-volume excess heat capacity for the two potential models.

Rotationally inelastic scattering of PN by para-H2(j = 0) at low/moderate temperature

NASA Astrophysics Data System (ADS)

Najar, F.; Naouai, M.; Hanini, H. El; Jaidane, N.

2017-12-01

Calculation of the collisional rate coefficients with the most abundant species has been motivated by the desire to interpret observations of molecules in the interstellar medium. This paper will be concerned with rotational excitation of the phosphorus nitride (PN) molecule in its ground vibrational state by collisions with para-H2(j = 0). Ab intio potential energy surface for the PN-H2 van der Waals system, considering both molecules as rigid rotors, was computed via CCSD(T) method using the aug-cc-pVTZ basis sets, augmented by a bond functions placed at midway between the PN and H2 centres of mass. Cross-sections among the 40 first rotational levels of PN in collisions with para-H2(j = 0) were obtained using close coupling and coupled states calculations, for total energies up to 3000 cm- 1. Rate coefficients are presented for temperatures ranging from 5 to 300 K. A strong propensity favouring even Δj transitions is found. The comparison of the new PN-H2 rate coefficients with previously calculated PN-He rate coefficients shows that significant differences exist.

Predictions of nucleation theory applied to Ehrenfest thermodynamic transitions

NASA Technical Reports Server (NTRS)

Barker, R. E., Jr.; Campbell, K. W.

1984-01-01

A modified nucleation theory is used to determine a critical nucleus size and a critical activation-energy barrier for second-order Ehrenfest thermodynamic transitions as functions of the degree of undercooling, the interfacial energy, the heat-capacity difference, the specific volume of the transformed phase, and the equilibrium transition temperature. The customary approximations of nucleation theory are avoided by expanding the Gibbs free energy in a Maclaurin series and applying analytical thermodynamic expressions to evaluate the expansion coefficients. Nonlinear correction terms for first-order-transition calculations are derived, and numerical results are presented graphically for water and polystyrene as examples of first-order and quasi-second-order transitions, respectively.

Ammonia in comet P/Halley

NASA Technical Reports Server (NTRS)

Meier, R.; Eberhardt, P.; Krankowsky, D.; Hodges, R. R.

1994-01-01

In comet P/Halley the abundances of ammonia relative to water reported in the literature differ by about one order of magnitude from roughly 0.1% up to 2%. Different observational techniques seem to have inherent systematic errors. Using the ion mass channels m/q = 19 amu/e, 18 amu/e and 17 amu/e of the Neutral Mass Spectrometer experiment aboard the spacecraft Giotto, we derive a production rate of ammonia of (1.5(sub -0.7)(sup +0.5))% relative to water. Inside the contact surface we can explain our data by a nuclear source only. The uncertainty in our abundance of ammonia is primarily a result of uncertainties in some key reaction coefficients. We discuss in detail these reactions and the range of error indicated results from extreme assumptions in the rate coefficients. From our data, even in the worst case, we can exclude the ammonia abundance to be only of the order of a few per mill.

Effects of medium and trace metals on kinetics of carbon tetrachloride transformation by Pseudomonas sp. strain KC.

PubMed Central

Tatara, G M; Dybas, M J; Criddle, C S

1993-01-01

Under denitrifying conditions, Pseudomonas sp. strain KC transforms carbon tetrachloride (CT) to carbon dioxide via a complex but as yet undetermined mechanism. Transformation rates were first order with respect to CT concentration over the CT concentration range examined (0 to 100 micrograms/liter) and proportional to protein concentration, giving pseudo-second-order kinetics overall. Addition of ferric iron (1 to 20 microM) to an actively transforming culture inhibited CT transformation, and the degree of inhibition increased with increasing iron concentration. By removing iron from the trace metals solution or by removing iron-containing precipitate from the growth medium, higher second-order rate coefficients were obtained. Copper also plays a role in CT transformation. Copper was toxic at neutral pH. By adjusting the medium pH to 8.2, soluble iron and copper levels decreased as a precipitate formed, and CT transformation rates increased. However, cultures grown at high pH without any added trace copper (1 microM) exhibited slower growth rates and greatly reduced rates of CT transformation, indicating that copper is required for CT transformation. The use of pH adjustment to decrease iron solubility, to avoid copper toxicity, and to provide a selective advantage for strain KC was evaluated by using soil slurries and groundwater containing high levels of iron. In samples adjusted to pH 8.2 and inoculated with strain KC, CT disappeared rapidly in the absence or presence of acetate or nitrate supplements. CT did not disappear in pH-adjusted controls that were not inoculated with strain KC. PMID:8357248

Kinetics of hydrogen isotope exchange in β-phase Pd-H-D

DOE PAGES

Luo, Weifang; Cowgill, Donald F.

2015-07-22

Hydrogen isotope gas exchange within palladium powders is examined using a batch-type reactor coupled to a residual gas analyzer (RGA). Furthermore, the exchange rates in both directions (H 2 + PdD and D 2 + PdH) are measured in the temperature range 178–323 K for the samples with different particle sizes. The results show this batch-type exchange is closely approximated as a first-order kinetic process with a rate directly proportional to the surface area of the powder particles. An exchange rate constant of 1.40 ± 0.24 μmol H 2/atm cm 2 s is found for H 2 + PdD atmore » 298 K, 1.4 times higher than that for D 2 + PdH, with an activation energy of 25.0 ± 3.2 kJ/mol H for both exchange directions. Finally, a comparison of exchange measurement techniques shows these coefficients, and the fundamental exchange probabilities are in good agreement with those obtained by NMR and flow techniques.« less

Impact of Environmental Conditions on the Survival of Cryptosporidium and Giardia on Environmental Surfaces

PubMed Central

Alum, Absar; Absar, Isra M.; Asaad, Hamas; Rubino, Joseph R.; Ijaz, M. Khalid

2014-01-01

The objective of this study was to find out the impact of environmental conditions on the survival of intestinal parasites on environmental surfaces commonly implicated in the transmission of these parasites. The study was performed by incubating Cryptosporidium and Giardia (oo)cysts on environmentally relevant surfaces such as brushed stainless steel, formica, ceramic, fabric, and skin. Parallel experiments were conducted using clean and soiled coupons incubated under three temperatures. The die-off coefficient rates (K) were calculated using first-order exponential formula. For both parasites, the fastest die-off was recorded on fabric, followed by ceramic, formica, skin, and steel. Die-off rates were directly correlated to the incubation temperatures and surface porosity. The presence of organic matter enhanced the survivability of the resting stages of test parasites. The decay rates calculated in this study can be used in models for public health decision-making process and highlights the mitigation role of hand hygiene agents in their prevention and control. PMID:25045350

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

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

Kurtosis Approach Nonlinear Blind Source Separation

NASA Technical Reports Server (NTRS)

Duong, Vu A.; Stubbemd, Allen R.

2005-01-01

In this paper, we introduce a new algorithm for blind source signal separation for post-nonlinear mixtures. The mixtures are assumed to be linearly mixed from unknown sources first and then distorted by memoryless nonlinear functions. The nonlinear functions are assumed to be smooth and can be approximated by polynomials. Both the coefficients of the unknown mixing matrix and the coefficients of the approximated polynomials are estimated by the gradient descent method conditional on the higher order statistical requirements. The results of simulation experiments presented in this paper demonstrate the validity and usefulness of our approach for nonlinear blind source signal separation Keywords: Independent Component Analysis, Kurtosis, Higher order statistics.

Lines of Eigenvectors and Solutions to Systems of Linear Differential Equations

ERIC Educational Resources Information Center

Rasmussen, Chris; Keynes, Michael

2003-01-01

The purpose of this paper is to describe an instructional sequence where students invent a method for locating lines of eigenvectors and corresponding solutions to systems of two first order linear ordinary differential equations with constant coefficients. The significance of this paper is two-fold. First, it represents an innovative alternative…

A self-consistent, multivariate method for the determination of gas-phase rate coefficients, applied to reactions of atmospheric VOCs and the hydroxyl radical

NASA Astrophysics Data System (ADS)

Shaw, Jacob T.; Lidster, Richard T.; Cryer, Danny R.; Ramirez, Noelia; Whiting, Fiona C.; Boustead, Graham A.; Whalley, Lisa K.; Ingham, Trevor; Rickard, Andrew R.; Dunmore, Rachel E.; Heard, Dwayne E.; Lewis, Ally C.; Carpenter, Lucy J.; Hamilton, Jacqui F.; Dillon, Terry J.

2018-03-01

Gas-phase rate coefficients are fundamental to understanding atmospheric chemistry, yet experimental data are not available for the oxidation reactions of many of the thousands of volatile organic compounds (VOCs) observed in the troposphere. Here, a new experimental method is reported for the simultaneous study of reactions between multiple different VOCs and OH, the most important daytime atmospheric radical oxidant. This technique is based upon established relative rate concepts but has the advantage of a much higher throughput of target VOCs. By evaluating multiple VOCs in each experiment, and through measurement of the depletion in each VOC after reaction with OH, the OH + VOC reaction rate coefficients can be derived. Results from experiments conducted under controlled laboratory conditions were in good agreement with the available literature for the reaction of 19 VOCs, prepared in synthetic gas mixtures, with OH. This approach was used to determine a rate coefficient for the reaction of OH with 2,3-dimethylpent-1-ene for the first time; k = 5.7 (±0.3) × 10-11 cm3 molecule-1 s-1. In addition, a further seven VOCs had only two, or fewer, individual OH rate coefficient measurements available in the literature. The results from this work were in good agreement with those measurements. A similar dataset, at an elevated temperature of 323 (±10) K, was used to determine new OH rate coefficients for 12 aromatic, 5 alkane, 5 alkene and 3 monoterpene VOC + OH reactions. In OH relative reactivity experiments that used ambient air at the University of York, a large number of different VOCs were observed, of which 23 were positively identified. Due to difficulties with detection limits and fully resolving peaks, only 19 OH rate coefficients were derived from these ambient air samples, including 10 reactions for which data were previously unavailable at the elevated reaction temperature of T = 323 (±10) K.

Keep Your Distance! Using Second-Order Ordinary Differential Equations to Model Traffic Flow

ERIC Educational Resources Information Center

McCartney, Mark

2004-01-01

A simple mathematical model for how vehicles follow each other along a stretch of road is presented. The resulting linear second-order differential equation with constant coefficients is solved and interpreted. The model can be used as an application of solution techniques taught at first-year undergraduate level and as a motivator to encourage…

Rotational relaxation of AlO+(1Σ+) in collision with He

NASA Astrophysics Data System (ADS)

Denis-Alpizar, O.; Trabelsi, T.; Hochlaf, M.; Stoecklin, T.

2018-03-01

The rate coefficients for the rotational de-excitation of AlO+ by collisions with He are determined. The possible production mechanisms of the AlO+ ion in both diffuse and dense molecular clouds are first discussed. A set of ab initio interaction energies is computed at the CCSD(T)-F12 level of theory, and a three-dimensional analytical model of the potential energy surface is obtained using a linear combination of reproducing kernel Hilbert space polynomials together with an analytical long range potential. The nuclear spin free close-coupling equations are solved and the de-excitation rotational rate coefficients for the lower 15 rotational states of AlO+ are reported. A propensity rule to favour Δj = -1 transitions is obtained while the hyperfine resolved state-to-state rate coefficients are also discussed.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yaqin; Sun, Zhigang, E-mail: zsun@dicp.ac.cn, E-mail: dawesr@mst.edu, E-mail: hguo@unm.edu; Center for Advanced Chemical Physics, University of Science and Technology of China, 96 Jinzhai Road, Hefei 230026

2014-08-28

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

Hyperfine excitation of CH in collisions with atomic and molecular hydrogen

NASA Astrophysics Data System (ADS)

Dagdigian, Paul J.

2018-04-01

We investigate here the excitation of methylidene (CH) induced by collisions with atomic and molecular hydrogen (H and H2). The hyperfine-resolved rate coefficients were obtained from close coupling nuclear-spin-free scattering calculations. The calculations are based upon recent, high-accuracy calculations of the CH(X2Π)-H(2S) and CH(X2Π)-H2 potential energy surfaces. Cross-sections and rate coefficients for collisions with atomic H, para-H2, and ortho-H2 were computed for all transitions between the 32 hyperfine levels for CH(X2Π) involving the n ≤ 4 rotational levels for temperatures between 10 and 300 K. These rate coefficients should significantly aid in the interpretation of astronomical observations of CH spectra. As a first application, the excitation of CH is simulated for conditions in typical molecular clouds.

Whole-Lesion Apparent Diffusion Coefficient-Based Entropy-Related Parameters for Characterizing Cervical Cancers: Initial Findings.

PubMed

Guan, Yue; Li, Weifeng; Jiang, Zhuoran; Chen, Ying; Liu, Song; He, Jian; Zhou, Zhengyang; Ge, Yun

2016-12-01

This study aimed to develop whole-lesion apparent diffusion coefficient (ADC)-based entropy-related parameters of cervical cancer to preliminarily assess intratumoral heterogeneity of this lesion in comparison to adjacent normal cervical tissues. A total of 51 women (mean age, 49 years) with cervical cancers confirmed by biopsy underwent 3-T pelvic diffusion-weighted magnetic resonance imaging with b values of 0 and 800 s/mm 2 prospectively. ADC-based entropy-related parameters including first-order entropy and second-order entropies were derived from the whole tumor volume as well as adjacent normal cervical tissues. Intraclass correlation coefficient, Wilcoxon test with Bonferroni correction, Kruskal-Wallis test, and receiver operating characteristic curve were used for statistical analysis. All the parameters showed excellent interobserver agreement (all intraclass correlation coefficients  > 0.900). Entropy, entropy(H) 0 , entropy(H) 45 , entropy(H) 90 , entropy(H) 135 , and entropy(H) mean were significantly higher, whereas entropy(H) range and entropy(H) std were significantly lower in cervical cancers compared to adjacent normal cervical tissues (all P <.0001). Kruskal-Wallis test showed that there were no significant differences among the values of various second-order entropies including entropy(H) 0, entropy(H) 45 , entropy(H) 90 , entropy(H) 135 , and entropy(H) mean. All second-order entropies had larger area under the receiver operating characteristic curve than first-order entropy in differentiating cervical cancers from adjacent normal cervical tissues. Further, entropy(H) 45 , entropy(H) 90 , entropy(H) 135 , and entropy(H) mean had the same largest area under the receiver operating characteristic curve of 0.867. Whole-lesion ADC-based entropy-related parameters of cervical cancers were developed successfully, which showed initial potential in characterizing intratumoral heterogeneity in comparison to adjacent normal cervical tissues. Copyright © 2016 The Association of University Radiologists. Published by Elsevier Inc. All rights reserved.

On the Existence of Non-Oscillatory Phase Functions for Second Order Ordinary Differential Equations in the High-Frequency Regime

DTIC Science & Technology

2014-08-04

Chebyshev coefficients of both r and q decay exponentially, although those of r decay at a slightly slower rate. 10.2. Evaluation of Legendre polynomials ...In this experiment, we compare the cost of evaluating Legendre polynomials of large order using the standard recurrence relation with the cost of...doing so with a nonoscillatory phase function. For any integer n ě 0, the Legendre polynomial Pnpxq of order n is a solution of the second order

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Saponification reaction system: a detailed mass transfer coefficient determination.

PubMed

Pečar, Darja; Goršek, Andreja

2015-01-01

The saponification of an aromatic ester with an aqueous sodium hydroxide was studied within a heterogeneous reaction medium in order to determine the overall kinetics of the selected system. The extended thermo-kinetic model was developed compared to the previously used simple one. The reaction rate within a heterogeneous liquid-liquid system incorporates a chemical kinetics term as well as mass transfer between both phases. Chemical rate constant was obtained from experiments within a homogeneous medium, whilst the mass-transfer coefficient was determined separately. The measured thermal profiles were then the bases for determining the overall reaction-rate. This study presents the development of an extended kinetic model for considering mass transfer regarding the saponification of ethyl benzoate with sodium hydroxide within a heterogeneous reaction medium. The time-dependences are presented for the mass transfer coefficient and the interfacial areas at different heterogeneous stages and temperatures. The results indicated an important role of reliable kinetic model, as significant difference in k(L)a product was obtained with extended and simple approach.

Comment on "Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature" by W. Siebrand, Z. Smedarchina, E. Martínez-Núñez and A. Fernández-Ramos, Phys. Chem. Chem. Phys., 2016, 18, 22712.

PubMed

Shannon, R J; Gómez Martín, J C; Caravan, R L; Blitz, M A; Plane, J M C; Heard, D E; Antiñolo, M; Agúndez, M; Jiménez, E; Ballesteros, B; Canosa, A; El Dib, G; Albaladejo, J; Cernicharo, J

2018-03-28

The article "Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature" proposes a dimer mediated mechanism in order to explain the large low temperature rate coefficients for the OH + methanol reaction measured by several groups. It is demonstrated here theoretically that under the conditions of these low temperature experiments, there are insufficient dimers formed for the proposed new mechanism to apply. Experimental evidence is also presented to show that dimerization of the methanol reagent does not influence the rate coefficients reported under the conditions of methanol concentration used for the kinetics studies. It is also emphasised that the low temperature experiments have been performed using both the Laval nozzle expansion and flow-tube methods, with good agreement found for the rate coefficients measured using these two distinct techniques.

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

NASA Astrophysics Data System (ADS)

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

2012-10-01

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

Pressure dependence of side chain 13C chemical shifts in model peptides Ac-Gly-Gly-Xxx-Ala-NH2.

PubMed

Beck Erlach, Markus; Koehler, Joerg; Crusca, Edson; Munte, Claudia E; Kainosho, Masatsune; Kremer, Werner; Kalbitzer, Hans Robert

2017-10-01

For evaluating the pressure responses of folded as well as intrinsically unfolded proteins detectable by NMR spectroscopy the availability of data from well-defined model systems is indispensable. In this work we report the pressure dependence of 13 C chemical shifts of the side chain atoms in the protected tetrapeptides Ac-Gly-Gly-Xxx-Ala-NH 2 (Xxx, one of the 20 canonical amino acids). Contrary to expectation the chemical shifts of a number of nuclei have a nonlinear dependence on pressure in the range from 0.1 to 200 MPa. The size of the polynomial pressure coefficients B 1 and B 2 is dependent on the type of atom and amino acid studied. For H N , N and C α the first order pressure coefficient B 1 is also correlated to the chemical shift at atmospheric pressure. The first and second order pressure coefficients of a given type of carbon atom show significant linear correlations suggesting that the NMR observable pressure effects in the different amino acids have at least partly the same physical cause. In line with this observation the magnitude of the second order coefficients of nuclei being direct neighbors in the chemical structure also are weakly correlated. The downfield shifts of the methyl resonances suggest that gauche conformers of the side chains are not preferred with pressure. The valine and leucine methyl groups in the model peptides were assigned using stereospecifically 13 C enriched amino acids with the pro-R carbons downfield shifted relative to the pro-S carbons.

Evaporation of Cu, Sn, and S from Fe-C-Cu-Sn-S Liquid Alloys in the Temperature Range from 1513 K to 1873 K (1240 °C to 1600 °C)

NASA Astrophysics Data System (ADS)

Tafwidli, Fahmi; Choi, Moo-Eob; Yi, Sang-Ho; Kang, Youn-Bae

2018-02-01

Evaporation of Cu or Sn from liquid iron alloys containing C and S was experimentally investigated. The initial C concentration, [pct C]0, in the liquid alloy was varied from zero to C saturation, and the evaporation temperature was varied from 1513 K to 1773 K (1240 °C to 1500 °C). Along with the report by one of the present authors, the evaporation mechanism of Cu and Sn from liquid Fe-C-S alloy is proposed, after a modification from the previous mechanism. It was proposed that Cu and Sn evaporate as Cu(g) and Sn(g) and also evaporate as CuS(g) and SnS(g), which are more volatile species. Therefore, availability of S in the alloy affects the overall evaporation rate of Cu and Sn. At the same time, C in the alloy also forms volatile carbosulfides CS(g) and CS2(g), thereby competing with Cu and Sn. Moreover, C increases the activity coefficients of Cu, Sn, and S. This increases the thermodynamic driving force for the formation of CuS(g) and SnS(g). Therefore, increasing [pct C] partly accelerates the evaporation rate of Cu and Sn by increasing the activity coefficient but partly decelerates the evaporation rate by lowering the available S content. S partly accelerates the evaporation rate by increasing the available S for the sulfide gas species but partly decelerates the evaporation rate due to the surface poisoning effect. Increasing the reaction temperature increases the overall evaporation rate. All these facts were taken into account in order to develop an evaporation rate model. This model was extended from the present authors' previous one by taking into account (1) CS(g), S(g), and CS2(g) (therefore, the following species were considered as dominant evaporating species: Cu(g), CuS(g), Sn(g), SnS(g), S(g), CS(g), and CS2(g)); (2) the effect of C and temperature on the activity coefficients of Cu, Sn, and S; (3) the effect of C and temperature on the density of the liquid alloy; and (4) the effect of temperature on the S adsorption coefficient. This revised evaporation model was used in order to explain the experimental data, and it showed good agreement. In particular, it was found that the temperature showed a significant effect on the evaporation rate, and the effect of temperature and C content on the activity coefficients of Cu, Sn, and S also significantly affected the evaporation rate. The chemical reaction rate constant of the individual evaporation reaction ( kiR ) and residual rate constant ( kir ) could be obtained as a function of temperature. The activation energy of each evaporation reaction was derived and discussed. The evaporation rate model can be applied in order to predict the content of Cu and Sn remaining in liquid iron under various conditions of temperature and [pct C].

Evaporation of Cu, Sn, and S from Fe-C-Cu-Sn-S Liquid Alloys in the Temperature Range from 1513 K to 1873 K (1240 °C to 1600 °C)

NASA Astrophysics Data System (ADS)

Tafwidli, Fahmi; Choi, Moo-Eob; Yi, Sang-Ho; Kang, Youn-Bae

2018-06-01

Evaporation of Cu or Sn from liquid iron alloys containing C and S was experimentally investigated. The initial C concentration, [pct C]0, in the liquid alloy was varied from zero to C saturation, and the evaporation temperature was varied from 1513 K to 1773 K (1240 °C to 1500 °C). Along with the report by one of the present authors, the evaporation mechanism of Cu and Sn from liquid Fe-C-S alloy is proposed, after a modification from the previous mechanism. It was proposed that Cu and Sn evaporate as Cu(g) and Sn(g) and also evaporate as CuS(g) and SnS(g), which are more volatile species. Therefore, availability of S in the alloy affects the overall evaporation rate of Cu and Sn. At the same time, C in the alloy also forms volatile carbosulfides CS(g) and CS2(g), thereby competing with Cu and Sn. Moreover, C increases the activity coefficients of Cu, Sn, and S. This increases the thermodynamic driving force for the formation of CuS(g) and SnS(g). Therefore, increasing [pct C] partly accelerates the evaporation rate of Cu and Sn by increasing the activity coefficient but partly decelerates the evaporation rate by lowering the available S content. S partly accelerates the evaporation rate by increasing the available S for the sulfide gas species but partly decelerates the evaporation rate due to the surface poisoning effect. Increasing the reaction temperature increases the overall evaporation rate. All these facts were taken into account in order to develop an evaporation rate model. This model was extended from the present authors' previous one by taking into account (1) CS(g), S(g), and CS2(g) (therefore, the following species were considered as dominant evaporating species: Cu(g), CuS(g), Sn(g), SnS(g), S(g), CS(g), and CS2(g)); (2) the effect of C and temperature on the activity coefficients of Cu, Sn, and S; (3) the effect of C and temperature on the density of the liquid alloy; and (4) the effect of temperature on the S adsorption coefficient. This revised evaporation model was used in order to explain the experimental data, and it showed good agreement. In particular, it was found that the temperature showed a significant effect on the evaporation rate, and the effect of temperature and C content on the activity coefficients of Cu, Sn, and S also significantly affected the evaporation rate. The chemical reaction rate constant of the individual evaporation reaction ( kiR ) and residual rate constant ( kir ) could be obtained as a function of temperature. The activation energy of each evaporation reaction was derived and discussed. The evaporation rate model can be applied in order to predict the content of Cu and Sn remaining in liquid iron under various conditions of temperature and [pct C].

Direct access to dithiobenzoate RAFT agent fragmentation rate coefficients by ESR spin-trapping.

PubMed

Ranieri, Kayte; Delaittre, Guillaume; Barner-Kowollik, Christopher; Junkers, Thomas

2014-12-01

The β-scission rate coefficient of tert-butyl radicals fragmenting off the intermediate resulting from their addition to tert-butyl dithiobenzoate-a reversible addition-fragmentation chain transfer (RAFT) agent-is estimated via the recently introduced electron spin resonance (ESR)-trapping methodology as a function of temperature. The newly introduced ESR-trapping methodology is critically evaluated and found to be reliable. At 20 °C, a fragmentation rate coefficient of close to 0.042 s(-1) is observed, whereas the activation parameters for the fragmentation reaction-determined for the first time-read EA = 82 ± 13.3 kJ mol(-1) and A = (1.4 ± 0.25) × 10(13) s(-1) . The ESR spin-trapping methodology thus efficiently probes the stability of the RAFT adduct radical under conditions relevant for the pre-equilibrium of the RAFT process. It particularly indicates that stable RAFT adduct radicals are indeed formed in early stages of the RAFT poly-merization, at least when dithiobenzoates are employed as controlling agents as stipulated by the so-called slow fragmentation theory. By design of the methodology, the obtained fragmentation rate coefficients represent an upper limit. The ESR spin-trapping methodology is thus seen as a suitable tool for evaluating the fragmentation rate coefficients of a wide range of RAFT adduct radicals. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Two-stage model of radon-induced malignant lung tumors in rats: effects of cell killing

NASA Technical Reports Server (NTRS)

Luebeck, E. G.; Curtis, S. B.; Cross, F. T.; Moolgavkar, S. H.

1996-01-01

A two-stage stochastic model of carcinogenesis is used to analyze lung tumor incidence in 3750 rats exposed to varying regimens of radon carried on a constant-concentration uranium ore dust aerosol. New to this analysis is the parameterization of the model such that cell killing by the alpha particles could be included. The model contains parameters characterizing the rate of the first mutation, the net proliferation rate of initiated cells, the ratio of the rates of cell loss (cell killing plus differentiation) and cell division, and the lag time between the appearance of the first malignant cell and the tumor. Data analysis was by standard maximum likelihood estimation techniques. Results indicate that the rate of the first mutation is dependent on radon and consistent with in vitro rates measured experimentally, and that the rate of the second mutation is not dependent on radon. An initial sharp rise in the net proliferation rate of initiated cell was found with increasing exposure rate (denoted model I), which leads to an unrealistically high cell-killing coefficient. A second model (model II) was studied, in which the initial rise was attributed to promotion via a step function, implying that it is due not to radon but to the uranium ore dust. This model resulted in values for the cell-killing coefficient consistent with those found for in vitro cells. An "inverse dose-rate" effect is seen, i.e. an increase in the lifetime probability of tumor with a decrease in exposure rate. This is attributed in large part to promotion of intermediate lesions. Since model II is preferable on biological grounds (it yields a plausible cell-killing coefficient), such as uranium ore dust. This analysis presents evidence that a two-stage model describes the data adequately and generates hypotheses regarding the mechanism of radon-induced carcinogenesis.

An examination of the factors affecting people's participation in future health examinations based on community health exam interventions.

PubMed

Tu, Shih-Kai; Liao, Hung-En

2014-01-01

Community-based intervention health examinations were implemented at a health care facility to comply with the government's primary health care promotion policy. The theory of planned behavior model was applied to examine the effect that community-based health examinations had on people's health concepts regarding seeking future health examinations. The research participants were individuals who had received a health examination provided at two branches of a hospital in central Taiwan in 2012. The hospital's two branches held a total of 14 free community-based health examination sessions. The hospital provided health examination equipment and staff to perform health examinations during public holidays. We conducted an exploratory questionnaire survey to collect data and implemented cross-sectional research based on anonymous self-ratings to examine the public's intention to receive future community-based or hospital-based health examinations. Including of 807 valid questionnaires, accounting for 89.4% of the total number of questionnaires distributed. The correlation coefficients of the second-order structural model indicate that attitudes positively predict behavioral intentions (γ = .66, p < .05), and subjective norms also positively predict behavioral intentions (γ = .66, p < .01). By contrast, perceived behavioral control has no significant relationship with behavioral intentions (γ = -.71, p > .05). The results of the first-order structural model indicated that the second-order constructs had a high explanatory power for the first-order constructs. People's health concepts regarding health examinations and their desire to continue receiving health examinations must be considered when promoting health examinations in the community. Regarding hospital management and the government's implementation of primary health care, health examination services should address people's medical needs to increase coverage and participation rates and reduce the waste of medical resources.

Two-Body Orbit Expansion Due to Time-Dependent Relative Acceleration Rate of the Cosmological Scale Factor

NASA Astrophysics Data System (ADS)

Iorio, Lorenzo

2014-01-01

By phenomenologically assuming a slow temporal variation of the percent acceleration rate S̈S -1 of the cosmic scale factor S(t), it is shown that the orbit of a local binary undergoes a secular expansion. To first order in the power expansion of S̈S -1 around the present epoch t0, a non-vanishing shift per orbit (Δr) of the two-body relative distance r occurs for eccentric trajectories. A general relativistic expression, which turns out to be cubic in the Hubble parameter H0 at the present epoch, is explicitly calculated for it in the case of matter-dominated epochs with Dark Energy. For a highly eccentric Oort comet orbit with period Pb ≈ 31 Myr, the general relativistic distance shift per orbit turns out to be of the order of (Δr) ≈ 70 km. For the Large Magellanic Cloud, assumed on a bound elliptic orbit around the Milky Way, the shift per orbit is of the order of (Δr) ≈ 2-4 pc. Our result has a general validity since it holds in any cosmological model admitting the Hubble law and a slowly varying S̈S-1(t). More generally, it is valid for an arbitrary Hooke-like extra-acceleration whose "elastic" parameter κ is slowly time-dependent, irrespectively of the physical mechanism which may lead to it. The coefficient κ1 of the first-order term of the power expansion of κ(t) can be preliminarily constrained in a model-independent way down to a κ1 ≤ 2 x 10-13 year-3 level from latest Solar System's planetary observations. The radial velocities of the double lined spectroscopic binary ALPHA Cen AB yield κ1 ≤ 10-8 year-3.

Adjustment of activity coefficients as a function of changes in temperature, using the specific interaction theory

NASA Astrophysics Data System (ADS)

Giffaut, Eric; Vitorge, Pierre; Capdevila, Helene

1994-10-01

The aim of this work is to propose and to check approximations to calculate from only a few experimental measurements, ionic strength I and temperature T, influences on Gibbs' energy G, formal redox potential E and standard equilibrium constant K. Series expansions vs. T are first used: S and C(sub p)/2T (sup o) are typically the first- and second-order terms in -G. In the same way, -Delta H and T(exp 2) Delta C(sub p)/2 are the first- and second-order terms ofR ln K expansions vs. 1/T. This type of approximation is discussed for E of the M(4+)/M(3+), MO2(2+)/MO2(+) and MO2(CO3)3(4+)/MO2(CO3)3(4-)/MO2(CO3)3(4-) couples (M equivalent to U or Pu) measured from 5 to 70 C, for the standard Delta G of some solid U compounds, calculated from 17 to 117 C, and for Delta C(sub p), Delta G and log K of the CO2(aq)/HCO3(-) equilibrium from 0 to 150 C. Excess functions X(sup ex) are then calculated from activity coefficients gamma: enthalpy H or heat capacity C(sub p) adjustment as a function of I changes is needed only when the gamma adjustment as a function of T changes is needed. The variations in the specific interaction theory coefficient epsilon with T are small and roughly linear for the above redox equilibria and for the mean gamma of chloride electrolytes: first-order expansion seems enough to deduce epsilon, and then the excess functions G(sup ex), S(sup ex) and H(sup ex), in this T range; but second-order expansion is more consistent for estimation of C(sub p)(sup ex).

Validation of phenol red versus gravimetric method for water reabsorption correction and study of gender differences in Doluisio's absorption technique.

PubMed

Tuğcu-Demiröz, Fatmanur; Gonzalez-Alvarez, Isabel; Gonzalez-Alvarez, Marta; Bermejo, Marival

2014-10-01

The aim of the present study was to develop a method for water flux reabsorption measurement in Doluisio's Perfusion Technique based on the use of phenol red as a non-absorbable marker and to validate it by comparison with gravimetric procedure. The compounds selected for the study were metoprolol, atenolol, cimetidine and cefadroxil in order to include low, intermediate and high permeability drugs absorbed by passive diffusion and by carrier mediated mechanism. The intestinal permeabilities (Peff) of the drugs were obtained in male and female Wistar rats and calculated using both methods of water flux correction. The absorption rate coefficients of all the assayed compounds did not show statistically significant differences between male and female rats consequently all the individual values were combined to compare between reabsorption methods. The absorption rate coefficients and permeability values did not show statistically significant differences between the two strategies of concentration correction. The apparent zero order water absorption coefficients were also similar in both correction procedures. In conclusion gravimetric and phenol red method for water reabsorption correction are accurate and interchangeable for permeability estimation in closed loop perfusion method. Copyright © 2014 Elsevier B.V. All rights reserved.

Stable, semi-stable populations and growth potential.

PubMed

Bourgeois-Pichat, J

1971-07-01

Abstract Starting from the definition of a Malthusian population given by Alfred J. Lotka, the author recalls how the concept of stable population is introduced in demography, first as a particular case of stable populations, and secondly as a limit of a demographic evolutionary process in which female age-specific fertility rates and age-specific mortality rates remain constant. Then he defines a new concept: the semi-stable population which is a population with a constant age distribution. He shows that such a population coincides at any point of time with the stable population corresponding to the mortality and the fertility at this point of time. In the remaining part of the paper it is shown how the concept of a stable population can be used for defining a coefficient of inertia which measures the resistance of a population to modification of its course as a consequence of changing fertility and mortality. Some formulae are established to calculate this coefficient first for an arbitrary population, and secondly for a semistable population. In this second case the formula is particularly simple. It appears as a product of three terms: the expectation of life at birth in years, the crude birth rate, and a coefficient depending on the rate of growth and for which a numerical table is easy to establish.

Sorption of the monoterpenes α-pinene and limonene to carbonaceous geosorbents including biochar.

PubMed

Hale, Sarah E; Endo, Satoshi; Arp, Hans Peter H; Zimmerman, Andrew R; Cornelissen, Gerard

2015-01-01

The sorption of two monoterpenes, α pinene and limonene to the carbonaceous geosorbents graphite, bituminous coal, lignite coke, biochar and Pahokee peat was quantified. Polyethylene (PE) passive samplers were calibrated for the first time for these compounds by determining the PE-water partitioning coefficients and used as a tool to determine sorption to the carbonaceous geosorbents. Log KPE-water values were 3.49±0.58 for α pinene and 4.08±0.27 for limonene. The sorption of limonene to all materials was stronger than that for α pinene (differences of 0.2-1.3 log units between distribution coefficients for the monoterpenes). Placing Kd values in increasing order for α pinene gave biochar≈Pahokee peat≈bituminous coal≈lignite coke

Modeling of Inverted Annular Film Boiling using an integral method

NASA Astrophysics Data System (ADS)

Sridharan, Arunkumar

In modeling Inverted Annular Film Boiling (IAFB), several important phenomena such as interaction between the liquid and the vapor phases and irregular nature of the interface, which greatly influence the momentum and heat transfer at the interface, need to be accounted for. However, due to the complexity of these phenomena, they were not modeled in previous studies. Since two-phase heat transfer equations and relationships rely heavily on experimental data, many closure relationships that were used in previous studies to solve the problem are empirical in nature. Also, in deriving the relationships, the experimental data were often extrapolated beyond the intended range of conditions, causing errors in predictions. In some cases, empirical correlations that were derived from situations other than IAFB, and whose applicability to IAFB was questionable, were used. Moreover, arbitrary constants were introduced in the model developed in previous studies to provide good fit to the experimental data. These constants have no physical basis, thereby leading to questionable accuracy in the model predictions. In the present work, modeling of Inverted Annular Film Boiling (IAFB) is done using Integral Method. Two-dimensional formulation of IAFB is presented. Separate equations for the conservation of mass, momentum and energy are derived from first principles, for the vapor film and the liquid core. Turbulence is incorporated in the formulation. The system of second-order partial differential equations is integrated over the radial direction to obtain a system of integral differential equations. In order to solve the system of equations, second order polynomial profiles are used to describe the nondimensional velocity and temperatures. The unknown coefficients in the profiles are functions of the axial direction alone. Using the boundary conditions that govern the physical problem, equations for the unknown coefficients are derived in terms of the primary dependent variables: wall shear stress, interfacial shear stress, film thickness, pressure, wall temperature and the mass transfer rate due to evaporation. A system of non-linear first order coupled ordinary differential equations is obtained. Due to the inherent mathematical complexity of the system of equations, simplifying assumptions are made to obtain a numerical solution. The system of equations is solved numerically to obtain values of the unknown quantities at each subsequent axial location. Derived quantities like void fraction and heat transfer coefficient are calculated at each axial location. The calculation is terminated when the void fraction reaches a value of 0.6, the upper limit of IAFB. The results obtained agree with the experimental trends observed. Void fraction increases along the heated length, while the heat transfer coefficient drops due to the increased resistance of the vapor film as expected.

Ozonation of hospital raw wastewaters for cytostatic compounds removal. Kinetic modelling and economic assessment of the process.

PubMed

Ferre-Aracil, J; Valcárcel, Y; Negreira, N; de Alda, M López; Barceló, D; Cardona, S C; Navarro-Laboulais, J

2016-06-15

The kinetics of the ozone consumption for the pretreatment of hospital wastewater has been analysed in order to determine the reaction rate coefficients between the ozone and the readily oxidisabled organic matter and cytostatic compounds. The wastewater from a medium size hospital was treated with ozone and peroxone methodologies, varying the ozone concentration, the reaction time and the hydrogen peroxide doses. The analysis shows that there are four cytostatic compounds, i.e. irinotecan, ifosfamide, cyclophosphamide and capecitabine, detected in the wastewaters and they are completely removed with reasonably short times after the ozone treatment. Considering the reactor geometry, the gas hydrodynamics, the mass transfer of ozone from gas to liquid and the reaction of all oxidisable compounds of the wastewater it is possible to determine the chemical ozone demand, COzD, of the sample as 256mgO3L(-1) and the kinetic rate coefficient with the dissolved organic matter as 8.4M(-1)s(-1). The kinetic rate coefficient between the ozone and the cyclophosphamide is in the order of 34.7M(-1)s(-1) and higher for the other cytostatics. The direct economic cost of the treatment was evaluated considering this reaction kinetics and it is below 0.3€/m(3) under given circumstances. Copyright © 2016 Elsevier B.V. All rights reserved.

Multiscale Modeling of Diffusion in a Crowded Environment.

PubMed

Meinecke, Lina

2017-11-01

We present a multiscale approach to model diffusion in a crowded environment and its effect on the reaction rates. Diffusion in biological systems is often modeled by a discrete space jump process in order to capture the inherent noise of biological systems, which becomes important in the low copy number regime. To model diffusion in the crowded cell environment efficiently, we compute the jump rates in this mesoscopic model from local first exit times, which account for the microscopic positions of the crowding molecules, while the diffusing molecules jump on a coarser Cartesian grid. We then extract a macroscopic description from the resulting jump rates, where the excluded volume effect is modeled by a diffusion equation with space-dependent diffusion coefficient. The crowding molecules can be of arbitrary shape and size, and numerical experiments demonstrate that those factors together with the size of the diffusing molecule play a crucial role on the magnitude of the decrease in diffusive motion. When correcting the reaction rates for the altered diffusion we can show that molecular crowding either enhances or inhibits chemical reactions depending on local fluctuations of the obstacle density.

Study on drag coefficient of rising bubble in still water

NASA Astrophysics Data System (ADS)

Shi, M. Y.; Qi, Mei; Yi, C. G.; Liu, D. Y.; Zhang, K. X.

2017-09-01

Research on the behavior of a rising bubble in still water is on the basis of Newton's theory of classical mechanics. Develop a calculation analysis and an experimental process of bubble rising behavior in order to search for an appropriate way of valuing drag coefficient, which is the key element toward this issue. Analyze the adaptability of the drag coefficient; compare the theoretical model to the real experimental model of rising bubble behavior. The result turns out that the change rate of radius could be ignored according to the analysis; the acceleration phase is transient; final velocity and the diameter of bubble do relate to the drag coefficient, but have no obvious relation with the depth of water. After series of inference analysis of the bubble behavior and experimental demonstration, a new drag coefficient and computing method is proposed.

[Electroencephalogram Feature Selection Based on Correlation Coefficient Analysis].

PubMed

Zhou, Jinzhi; Tang, Xiaofang

2015-08-01

In order to improve the accuracy of classification with small amount of motor imagery training data on the development of brain-computer interface (BCD systems, we proposed an analyzing method to automatically select the characteristic parameters based on correlation coefficient analysis. Throughout the five sample data of dataset IV a from 2005 BCI Competition, we utilized short-time Fourier transform (STFT) and correlation coefficient calculation to reduce the number of primitive electroencephalogram dimension, then introduced feature extraction based on common spatial pattern (CSP) and classified by linear discriminant analysis (LDA). Simulation results showed that the average rate of classification accuracy could be improved by using correlation coefficient feature selection method than those without using this algorithm. Comparing with support vector machine (SVM) optimization features algorithm, the correlation coefficient analysis can lead better selection parameters to improve the accuracy of classification.

The MSFR as a flexible CR reactor: the viewpoint of safety

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fiorina, C.; Cammi, A.; Franceschini, F.

2013-07-01

In this paper, the possibility has first been discussed of using the liquid-fuelled Molten Salt Fast Reactor (MSFR) as a flexible conversion ratio (CR) reactor without design modification. By tuning the reprocessing rate it is possible to determine the content of fission products in the core, which in turn can significantly affect the neutron economy without incurring in solubility problems. The MSFR can thus be operated as U-233 breeder (CR>1), iso-breeder (CR=1) and burner reactor (CR<1). In particular a 40 year doubling time can be achieved, as well as a considerable Transuranics and MA (minor actinide) burning rate equal tomore » about 150 kg{sub HN}/GWE-yr. The safety parameters of the MSFR have then been evaluated for different fuel cycle strategies. Th use and a softer spectrum combine to give a strong Doppler coefficient, one order of magnitude higher compared to traditional fast reactors (FRs). The fuel expansion coefficient is comparable to the Doppler coefficient and is only mildly affected by core compositions, thus assisting the fuel cycle flexibility of the MSFR. βeff and generation time are comparable to the case of traditional FRs, if a static fuel is assumed. A notable reduction of βeff is caused by salt circulation, but a low value of this parameter is a limited concern in the MSFR thanks to the lack of a burnup reactivity swing and of positive feedbacks. A simple approach has also been developed to evaluate the MSFR capabilities to withstand all typical double-fault accidents, for different fuel cycle options.« less

Exact solutions for an oscillator with anti-symmetric quadratic nonlinearity

NASA Astrophysics Data System (ADS)

Beléndez, A.; Martínez, F. J.; Beléndez, T.; Pascual, C.; Alvarez, M. L.; Gimeno, E.; Arribas, E.

2018-04-01

Closed-form exact solutions for an oscillator with anti-symmetric quadratic nonlinearity are derived from the first integral of the nonlinear differential equation governing the behaviour of this oscillator. The mathematical model is an ordinary second order differential equation in which the sign of the quadratic nonlinear term changes. Two parameters characterize this oscillator: the coefficient of the linear term and the coefficient of the quadratic term. Not only the common case in which both coefficients are positive but also all possible combinations of positive and negative signs of these coefficients which provide periodic motions are considered, giving rise to four different cases. Three different periods and solutions are obtained, since the same result is valid in two of these cases. An interesting feature is that oscillatory motions whose equilibrium points are not at x = 0 are also considered. The periods are given in terms of an incomplete or complete elliptic integral of the first kind, and the exact solutions are expressed as functions including Jacobi elliptic cosine or sine functions.

Error Modeling and Experimental Study of a Flexible Joint 6-UPUR Parallel Six-Axis Force Sensor.

PubMed

Zhao, Yanzhi; Cao, Yachao; Zhang, Caifeng; Zhang, Dan; Zhang, Jie

2017-09-29

By combining a parallel mechanism with integrated flexible joints, a large measurement range and high accuracy sensor is realized. However, the main errors of the sensor involve not only assembly errors, but also deformation errors of its flexible leg. Based on a flexible joint 6-UPUR (a kind of mechanism configuration where U-universal joint, P-prismatic joint, R-revolute joint) parallel six-axis force sensor developed during the prephase, assembly and deformation error modeling and analysis of the resulting sensors with a large measurement range and high accuracy are made in this paper. First, an assembly error model is established based on the imaginary kinematic joint method and the Denavit-Hartenberg (D-H) method. Next, a stiffness model is built to solve the stiffness matrix. The deformation error model of the sensor is obtained. Then, the first order kinematic influence coefficient matrix when the synthetic error is taken into account is solved. Finally, measurement and calibration experiments of the sensor composed of the hardware and software system are performed. Forced deformation of the force-measuring platform is detected by using laser interferometry and analyzed to verify the correctness of the synthetic error model. In addition, the first order kinematic influence coefficient matrix in actual circumstances is calculated. By comparing the condition numbers and square norms of the coefficient matrices, the conclusion is drawn theoretically that it is very important to take into account the synthetic error for design stage of the sensor and helpful to improve performance of the sensor in order to meet needs of actual working environments.

Error Modeling and Experimental Study of a Flexible Joint 6-UPUR Parallel Six-Axis Force Sensor

PubMed Central

Zhao, Yanzhi; Cao, Yachao; Zhang, Caifeng; Zhang, Dan; Zhang, Jie

2017-01-01

By combining a parallel mechanism with integrated flexible joints, a large measurement range and high accuracy sensor is realized. However, the main errors of the sensor involve not only assembly errors, but also deformation errors of its flexible leg. Based on a flexible joint 6-UPUR (a kind of mechanism configuration where U-universal joint, P-prismatic joint, R-revolute joint) parallel six-axis force sensor developed during the prephase, assembly and deformation error modeling and analysis of the resulting sensors with a large measurement range and high accuracy are made in this paper. First, an assembly error model is established based on the imaginary kinematic joint method and the Denavit-Hartenberg (D-H) method. Next, a stiffness model is built to solve the stiffness matrix. The deformation error model of the sensor is obtained. Then, the first order kinematic influence coefficient matrix when the synthetic error is taken into account is solved. Finally, measurement and calibration experiments of the sensor composed of the hardware and software system are performed. Forced deformation of the force-measuring platform is detected by using laser interferometry and analyzed to verify the correctness of the synthetic error model. In addition, the first order kinematic influence coefficient matrix in actual circumstances is calculated. By comparing the condition numbers and square norms of the coefficient matrices, the conclusion is drawn theoretically that it is very important to take into account the synthetic error for design stage of the sensor and helpful to improve performance of the sensor in order to meet needs of actual working environments. PMID:28961209

Prevalence of consanguineous marriages in Syria.

PubMed

Othman, Hasan; Saadat, Mostafa

2009-09-01

Consanguineous marriage is the union of individuals having at least one common ancestor. The present cross-sectional study was done in order to illustrate the prevalence and types of consanguineous marriages in the Syrian Arab Republic. Data on consanguineous marriages were collected using a simple questionnaire. The total number of couples in this study was 67,958 (urban areas: 36,574 couples; rural areas: 31,384 couples) from the following provinces: Damascus, Hamah, Tartous, Latakia, Al Raqa, Homs, Edlep and Aleppo. In each province urban and rural areas were surveyed. Consanguineous marriage was classified by the degree of relationship between couples: double first cousins (F=1/8), first cousins (F=1/16), second cousins (F=1/64) and beyond second cousins (F<1/64). The coefficient of inbreeding (F) was calculated for each couple and the mean coefficient of inbreeding (alpha) estimated for the population of each province, stratified by rural and urban areas. The results showed that the overall frequency of consanguinity was 30.3% in urban and 39.8% in rural areas. Total rate of consanguinity was found to be 35.4%. The equivalent mean inbreeding coefficient (alpha) was 0.0203 and 0.0265 in urban and rural areas, respectively. The mean proportion of consanguineous marriages ranged from 67.5% in Al Raqa province to 22.1% in Latakia province. The alpha-value ranged from 0.0358 to 0.0127 in these two provinces, respectively. The western and north-western provinces (including Tartous, Lattakia and Edlep) recorded lower levels of inbreeding than the central, northern and southern provinces. The overall alpha-value was estimated to be about 0.0236 for the studied populations. First cousin marriages (with 20.9%) were the most common type of consanguineous marriages, followed by double first cousin (with 7.8%) and second cousin marriages (with 3.3%), and beyond second cousin was the least common type.

Research on Ship-Radiated Noise Denoising Using Secondary Variational Mode Decomposition and Correlation Coefficient.

PubMed

Li, Yuxing; Li, Yaan; Chen, Xiao; Yu, Jing

2017-12-26

As the sound signal of ships obtained by sensors contains other many significant characteristics of ships and called ship-radiated noise (SN), research into a denoising algorithm and its application has obtained great significance. Using the advantage of variational mode decomposition (VMD) combined with the correlation coefficient for denoising, a hybrid secondary denoising algorithm is proposed using secondary VMD combined with a correlation coefficient (CC). First, different kinds of simulation signals are decomposed into several bandwidth-limited intrinsic mode functions (IMFs) using VMD, where the decomposition number by VMD is equal to the number by empirical mode decomposition (EMD); then, the CCs between the IMFs and the simulation signal are calculated respectively. The noise IMFs are identified by the CC threshold and the rest of the IMFs are reconstructed in order to realize the first denoising process. Finally, secondary denoising of the simulation signal can be accomplished by repeating the above steps of decomposition, screening and reconstruction. The final denoising result is determined according to the CC threshold. The denoising effect is compared under the different signal-to-noise ratio and the time of decomposition by VMD. Experimental results show the validity of the proposed denoising algorithm using secondary VMD (2VMD) combined with CC compared to EMD denoising, ensemble EMD (EEMD) denoising, VMD denoising and cubic VMD (3VMD) denoising, as well as two denoising algorithms presented recently. The proposed denoising algorithm is applied to feature extraction and classification for SN signals, which can effectively improve the recognition rate of different kinds of ships.

Characterization of Flow Dynamics and Reduced-Order Description of Experimental Two-Phase Pipe Flow

NASA Astrophysics Data System (ADS)

Viggiano, Bianca; SkjæRaasen, Olaf; Tutkun, Murat; Cal, Raul Bayoan

2017-11-01

Multiphase pipe flow is investigated using proper orthogonal decomposition for tomographic X-ray data, where holdup, cross sectional phase distributions and phase interface characteristics are obtained. Instantaneous phase fractions of dispersed flow and slug flow are analyzed and a reduced order dynamical description is generated. The dispersed flow displays coherent structures in the first few modes near the horizontal center of the pipe, representing the liquid-liquid interface location while the slug flow case shows coherent structures that correspond to the cyclical formation and breakup of the slug in the first 10 modes. The reconstruction of the fields indicate that main features are observed in the low order dynamical descriptions utilizing less than 1 % of the full order model. POD temporal coefficients a1, a2 and a3 show interdependence for the slug flow case. The coefficients also describe the phase fraction holdup as a function of time for both dispersed and slug flow. These flows are highly applicable to petroleum transport pipelines, hydroelectric power and heat exchanger tubes to name a few. The mathematical representations obtained via proper orthogonal decomposition will deepen the understanding of fundamental multiphase flow characteristics.

First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

DOE PAGES

Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; ...

2015-02-17

The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is generalmore » for many other systems.« less

Hysteresis in single and polycrystalline iron thin films: Major and minor loops, first order reversal curves, and Preisach modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Yue; Xu, Ke; Jiang, Weilin

Hysteretic behavior was studied in a series of Fe thin films, grown by molecular beam epitaxy, having different grain sizes and grown on different substrates. Major and minor loops and first order reversal curves (FORCs) were collected to investigate magnetization mechanisms and domain behavior under different magnetic histories. The minor loop coefficient and major loop coercivity increase with decreasing grain size due to higher defect concentration resisting domain wall movement. First order reversal curves allowed estimation of the contribution of irreversible and reversible susceptibilities and switching field distribution. The differences in shape of the major loops and first order reversalmore » curves are described using a classical Preisach model with distributions of hysterons of different switching fields, providing a powerful visualization tool to help understand the magnetization switching behavior of Fe films as manifested in various experimental magnetization measurements.« less

Hysteresis in single and polycrystalline iron thin films: Major and minor loops, first order reversal curves, and Preisach modeling

DOE PAGES

Cao, Yue; Xu, Ke; Jiang, Weilin; ...

2015-07-03

Hysteretic behavior was studied in a series of Fe thin films, grown by molecular beam epitaxy, having different grain sizes and grown on different substrates. Major and minor loops and first order reversal curves (FORCs) were collected to investigate magnetization mechanisms and domain behavior under different magnetic histories. The minor loop coefficient and major loop coercivity increase with decreasing grain size due to higher defect concentration resisting domain wall movement. First order reversal curves allowed estimation of the contribution of irreversible and reversible susceptibilities and switching field distribution. The differences in shape of the major loops and first order reversalmore » curves are described using a classical Preisach model with distributions of hysterons of different switching fields, providing a powerful visualization tool to help understand the magnetization switching behavior of Fe films as manifested in various experimental magnetization measurements.« less

Multiscale modeling for ferroelectric materials: identification of the phase-field model’s free energy for PZT from atomistic simulations

NASA Astrophysics Data System (ADS)

Völker, Benjamin; Landis, Chad M.; Kamlah, Marc

2012-03-01

Within a knowledge-based multiscale simulation approach for ferroelectric materials, the atomic level can be linked to the mesoscale by transferring results from first-principles calculations into a phase-field model. A recently presented routine (Völker et al 2011 Contin. Mech. Thermodyn. 23 435-51) for adjusting the Helmholtz free energy coefficients to intrinsic and extrinsic ferroelectric material properties obtained by DFT calculations and atomistic simulations was subject to certain limitations: caused by too small available degrees of freedom, an independent adjustment of the spontaneous strains and piezoelectric coefficients was not possible, and the elastic properties could only be considered in cubic instead of tetragonal symmetry. In this work we overcome such restrictions by expanding the formulation of the free energy function, i.e. by motivating and introducing new higher-order terms that have not appeared in the literature before. Subsequently we present an improved version of the adjustment procedure for the free energy coefficients that is solely based on input parameters from first-principles calculations performed by Marton and Elsässer, as documented in Völker et al (2011 Contin. Mech. Thermodyn. 23 435-51). Full sets of adjusted free energy coefficients for PbTiO3 and tetragonal Pb(Zr,Ti)O3 are presented, and the benefits of the newly introduced higher-order free energy terms are discussed.

Columbia: The first five flights entry heating data series. Volume 2: The OMS Pod

NASA Technical Reports Server (NTRS)

Williams, S. D.

1983-01-01

Entry heating flight data and wind tunnel data on the OMS Pod are presented for the first five flights of the Space Shuttle Orbiter. The heating rate data are presented in terms of normalized film heat transfer coefficients as a function of angle-of-attack, Mach number, and normal shock Reynolds number. The surface heating rates and temperatures were obtained via the JSC NONLIN/INVERSE computer program. Time history plots of the surface heating rates and temperatures are also presented.

Rotational excitation of HCN by para- and ortho-H{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vera, Mario Hernández, E-mail: marhvera@gmail.com; InSTEC, Quinta de Los Molinos, Plaza, La Habana 10600; Kalugina, Yulia

Rotational excitation of the hydrogen cyanide (HCN) molecule by collisions with para-H{sub 2}( j = 0, 2) and ortho-H{sub 2}( j = 1) is investigated at low temperatures using a quantum time independent approach. Both molecules are treated as rigid rotors. The scattering calculations are based on a highly correlated ab initio 4-dimensional (4D) potential energy surface recently published. Rotationally inelastic cross sections among the 13 first rotational levels of HCN were obtained using a pure quantum close coupling approach for total energies up to 1200 cm{sup −1}. The corresponding thermal rate coefficients were computed for temperatures ranging from 5 to 100 K.more » The HCN rate coefficients are strongly dependent on the rotational level of the H{sub 2} molecule. In particular, the rate coefficients for collisions with para-H{sub 2}( j = 0) are significantly lower than those for collisions with ortho-H{sub 2}( j = 1) and para-H{sub 2}( j = 2). Propensity rules in favor of even Δj transitions were found for HCN in collisions with para-H{sub 2}( j = 0) whereas propensity rules in favor of odd Δj transitions were found for HCN in collisions with H{sub 2}( j ⩾ 1). The new rate coefficients were compared with previously published HCN-para-H{sub 2}( j = 0) rate coefficients. Significant differences were found due the inclusion of the H{sub 2} rotational structure in the scattering calculations. These new rate coefficients will be crucial to improve the estimation of the HCN abundance in the interstellar medium.« less

Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactions.

PubMed Central

Zhou, H X; Szabo, A

1996-01-01

A general formalism is developed for calculating the time-dependent rate coefficient k(t) of an irreversible diffusion-influenced reaction. This formalism allows one to treat most factors that affect k(t), including rotational Brownian motion and conformational gating of reactant molecules and orientation constraint for product formation. At long times k(t) is shown to have the asymptotic expansion k(infinity)[1 + k(infinity) (pie Dt)-1/2 /4 pie D + ...], where D is the relative translational diffusion constant. An approximate analytical method for calculating k(t) is presented. This is based on the approximation that the probability density of the reactant pair in the reactive region keeps the equilibrium distribution but with a decreasing amplitude. The rate coefficient then is determined by the Green function in the absence of chemical reaction. Within the framework of this approximation, two general relations are obtained. The first relation allows the rate coefficient for an arbitrary amplitude of the reactivity to be found if the rate coefficient for one amplitude of the reactivity is known. The second relation allows the rate coefficient in the presence of conformational gating to be found from that in the absence of conformational gating. The ratio k(t)/k(0) is shown to be the survival probability of the reactant pair at time t starting from an initial distribution that is localized in the reactive region. This relation forms the basis of the calculation of k(t) through Brownian dynamics simulations. Two simulation procedures involving the propagation of nonreactive trajectories initiated only from the reactive region are described and illustrated on a model system. Both analytical and simulation results demonstrate the accuracy of the equilibrium-distribution approximation method. PMID:8913584

A proposed non-intrusive method for finding coefficients of slip and molecular reflectivity in microgravity

NASA Technical Reports Server (NTRS)

Noever, D. A.; Rosenberger, F. E.

1989-01-01

A proposed experimental program to look at a series of vapor transport properties measured along solid and liquid surfaces is described. The research objectives proposed are: (1) with accuracy otherwise unobtainable on ground, to determine the coefficient of slip measured between gases and the surfaces of liquids and solids; (2) for the first time, to classify and tabulate dominant surface effects found for a variety of solids, particularly those crystalized by vapor transport; and (3) to extend understanding of settling rates predicted for cosmic dust and condensed vapor falling through planetary atmospheres. The method used to obtain these objectives, has aided, to an order of magnitude, understanding of various liquid-gas interfaces such as oil and water. But to date, no similar characterization has proved successful for solids or liquids of uncertain densities. Likewise, no data exist in either ground-based research or as part of a microgravity program that, when collected with the high accuracy expected in low gravity, could definitely settle outstanding questions in kinetic theory, molecular dynamics, and cosmic physics.

Development of a Physiologically Based Pharmacokinetic Model for the Anesthetics Halothane, Isoflurane, and Desflurane in the Pig (SUS SCROFA)

DTIC Science & Technology

1999-08-01

Funding for the work was provided in part by Dr. Harry Salem , SBCCOM/ECBC, Aberdeen Proving Grounds, Maryland. The research described in this report... PFA ) " CA Figure I - Physiologicallly Based Pharmacokinetic Model of the Pig (Sus scrofa). Abbreviations: CA, arterial concentration; CX, exhaled...order metabol. rate constant (/hr-1 kg)’ CONSTANT PLA=3.29 $ ’Liver/air partition coefficient’ CONSTANT PFA =70.27 $ ’Fat/air partition coefficient

Multiscale techniques for parabolic equations.

PubMed

Målqvist, Axel; Persson, Anna

2018-01-01

We use the local orthogonal decomposition technique introduced in Målqvist and Peterseim (Math Comput 83(290):2583-2603, 2014) to derive a generalized finite element method for linear and semilinear parabolic equations with spatial multiscale coefficients. We consider nonsmooth initial data and a backward Euler scheme for the temporal discretization. Optimal order convergence rate, depending only on the contrast, but not on the variations of the coefficients, is proven in the [Formula: see text]-norm. We present numerical examples, which confirm our theoretical findings.

Second-order reconstruction of the inflationary potential

NASA Technical Reports Server (NTRS)

Liddle, Andrew R.; Turner, Michael S.

1994-01-01

To first order in the deviation from scale invariance the inflationary potential and its first two derivatives can be expressed in terms of the spectral indices of the scalar and tensor perturbations, n and n(sub T), and their contributions to the variance of the quadrupole CBR temperature anisotropy, S and T. In addition, there is a 'consistency relation' between these quantities: n(sub T) = (-1/ 7)(T/S). We derive the second-order expressions for the inflationary potential and its first two derivatives and the first-order expression for its third derivative, in terms, of n, n(sub T), S, T, and dn/d ln gamma. We also obtain the second-order consistency relation, n(sub T) = (-1/7)(T/S)(1 + 0.11(T/S) + 0.15(n-1)). As an example we consider the exponential potential, the only known case where exact analytic solutions for the perturbation spectra exist. We reconstruct the potential via Taylor expansion (with coefficients calculated at both first and second order), and introduce the Pade approximate as a greatly improved alternative.

Determination of the astrophysical 12N(p,γ)13O reaction rate from the 2H(12N,13O)n reaction and its astrophysical implications

NASA Astrophysics Data System (ADS)

Guo, B.; Su, J.; Li, Z. H.; Wang, Y. B.; Yan, S. Q.; Li, Y. J.; Shu, N. C.; Han, Y. L.; Bai, X. X.; Chen, Y. S.; Liu, W. P.; Yamaguchi, H.; Binh, D. N.; Hashimoto, T.; Hayakawa, S.; Kahl, D.; Kubono, S.; He, J. J.; Hu, J.; Xu, S. W.; Iwasa, N.; Kume, N.; Li, Z. H.

2013-01-01

The evolution of massive stars with very low-metallicities depends critically on the amount of CNO nuclides which they produce. The 12N(p,γ)13O reaction is an important branching point in the rap processes, which are believed to be alternative paths to the slow 3α process for producing CNO seed nuclei and thus could change the fate of massive stars. In the present work, the angular distribution of the 2H(12N, 13O)n proton transfer reaction at Ec.m.=8.4 MeV has been measured for the first time. Based on the Johnson-Soper approach, the square of the asymptotic normalization coefficient (ANC) for the virtual decay of 13Og.s. → 12N+p was extracted to be 3.92±1.47 fm-1 from the measured angular distribution and utilized to compute the direct component in the 12N(p,γ)13O reaction. The direct astrophysical S factor at zero energy was then found to be 0.39±0.15 keV b. By considering the direct capture into the ground state of 13O, the resonant capture via the first excited state of 13O and their interference, we determined the total astrophysical S factors and rates of the 12N(p,γ)13O reaction. The new rate is two orders of magnitude slower than that from the REACLIB compilation. Our reaction network calculations with the present rate imply that 12N(p,γ)13O will only compete successfully with the β+ decay of 12N at higher (˜2 orders of magnitude) densities than initially predicted.

Generalized Einstein relation for the mutual diffusion coefficient of a binary fluid mixture.

PubMed

Felderhof, B U

2017-08-21

The method employed by Einstein to derive his famous relation between the diffusion coefficient and the friction coefficient of a Brownian particle is used to derive a generalized Einstein relation for the mutual diffusion coefficient of a binary fluid mixture. The expression is compared with the one derived by de Groot and Mazur from irreversible thermodynamics and later by Batchelor for a Brownian suspension. A different result was derived by several other workers in irreversible thermodynamics. For a nearly incompressible solution, the generalized Einstein relation agrees with the expression derived by de Groot and Mazur. The two expressions also agree to first order in solute density. For a Brownian suspension, the result derived from the generalized Smoluchowski equation agrees with both expressions.

A Discussion of the Discrete Fourier Transform Execution on a Typical Desktop PC

NASA Technical Reports Server (NTRS)

White, Michael J.

2006-01-01

This paper will discuss and compare the execution times of three examples of the Discrete Fourier Transform (DFT). The first two examples will demonstrate the direct implementation of the algorithm. In the first example, the Fourier coefficients are generated at the execution of the DFT. In the second example, the coefficients are generated prior to execution and the DFT coefficients are indexed at execution. The last example will demonstrate the Cooley- Tukey algorithm, better known as the Fast Fourier Transform. All examples were written in C executed on a PC using a Pentium 4 running at 1.7 Ghz. As a function of N, the total complex data size, the direct implementation DFT executes, as expected at order of N2 and the FFT executes at order of N log2 N. At N=16K, there is an increase in processing time beyond what is expected. This is not caused by implementation but is a consequence of the effect that machine architecture and memory hierarchy has on implementation. This paper will include a brief overview of digital signal processing, along with a discussion of contemporary work with discrete Fourier processing.

Spiral Orbit Tribometry. 2; Evaluation of Three Liquid Lubricants in Vacuum

NASA Technical Reports Server (NTRS)

Pepper, Stephen V.; Kingsbury, Edward P.; Kiraly, Louis J. (Technical Monitor)

2002-01-01

The coefficients of friction and relative degradation rates of three lubricants run in the boundary regime in vacuum are evaluated in a Spiral Orbit Tribometer. This tribometer subjected the lubricants to rolling contact conditions similar to those found in angular contact ball bearings. A multiply alkylated cyclopentane (MAC) hydrocarbon lubricant suffered degradation at a rate almost two orders of magnitude less than the degradation rate of two perfluoropolyalkylether (PFPE) lubricants.

Low energy range dielectronic recombination of Fluorine-like Fe17+ at the CSRm

NASA Astrophysics Data System (ADS)

Khan, Nadir; Huang, Zhong-Kui; Wen, Wei-Qiang; Mahmood, Sultan; Dou, Li-Jun; Wang, Shu-Xing; Xu, Xin; Wang, Han-Bing; Chen, Chong-Yang; Chuai, Xiao-Ya; Zhu, Xiao-Long; Zhao, Dong-Mei; Mao, Li-Jun; Li, Jie; Yin, Da-Yu; Yang, Jian-Cheng; Yuan, You-Jin; Zhu, Lin-Fan; Ma, Xin-Wen

2018-05-01

The accuracy of dielectronic recombination (DR) data for astrophysics related ions plays a key role in astrophysical plasma modeling. The absolute DR rate coefficient of Fe17+ ions was measured at the main cooler storage ring at the Institute of Modern Physics, Lanzhou, China. The experimental electron-ion collision energy range covers the first Rydberg series up to n = 24 for the DR resonances associated with the {}2P1/2\\to {}2P3/2{{Δ }}n=0 core excitations. A theoretical calculation was performed by using FAC code and compared with the measured DR rate coefficient. Overall reasonable agreement was found between the experimental results and calculations. Moreover, the plasma rate coefficient was deduced from the experimental DR rate coefficient and compared with the available results from the literature. At the low energy range, significant discrepancies were found, and the measured resonances challenge state-of-the-art theory at low collision energies. Supported by the National Key R&D Program of China (2017YFA0402300), the National Natural Science Foundation of China through (11320101003, U1732133, 11611530684) and Key Research Program of Frontier Sciences, CAS (QYZDY-SSW-SLH006)

A comparison of zero-order, first-order, and monod biotransformation models

USGS Publications Warehouse

Bekins, B.A.; Warren, E.; Godsy, E.M.

1998-01-01

Under some conditions, a first-order kinetic model is a poor representation of biodegradation in contaminated aquifers. Although it is well known that the assumption of first-order kinetics is valid only when substrate concentration, S, is much less than the half-saturation constant, K(s), this assumption is often made without verification of this condition. We present a formal error analysis showing that the relative error in the first-order approximation is S/K(S) and in the zero-order approximation the error is K(s)/S. We then examine the problems that arise when the first-order approximation is used outside the range for which it is valid. A series of numerical simulations comparing results of first- and zero-order rate approximations to Monod kinetics for a real data set illustrates that if concentrations observed in the field are higher than K(s), it may better to model degradation using a zero-order rate expression. Compared with Monod kinetics, extrapolation of a first-order rate to lower concentrations under-predicts the biotransformation potential, while extrapolation to higher concentrations may grossly over-predict the transformation rate. A summary of solubilities and Monod parameters for aerobic benzene, toluene, and xylene (BTX) degradation shows that the a priori assumption of first-order degradation kinetics at sites contaminated with these compounds is not valid. In particular, out of six published values of KS for toluene, only one is greater than 2 mg/L, indicating that when toluene is present in concentrations greater than about a part per million, the assumption of first-order kinetics may be invalid. Finally, we apply an existing analytical solution for steady-state one-dimensional advective transport with Monod degradation kinetics to a field data set.A formal error analysis is presented showing that the relative error in the first-order approximation is S/KS and in the zero-order approximation the error is KS/S where S is the substrate concentration and KS is the half-saturation constant. The problems that arise when the first-order approximation is used outside the range for which it is valid are examined. A series of numerical simulations comparing results of first- and zero-order rate approximations to Monod kinetics for a real data set illustrates that if concentrations observed in the field are higher than KS, it may be better to model degradation using a zero-order rate expression.

Chromate reduction and heavy metal fixation in soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwitzgebel, K.

In situ reduction of chromates and the fixation of the metals Cr, Pb, Zn, Cu, Cd and Ni in soil was investigated using Fe II and soluble silica. Fe II fulfills two functions. It reduces chromates (CrVI) at soil pH to CrIII and the reaction products, Fe(OH)[sub 3] and Cr(OH)[sub 3], coprecipitate/adsorb heavy metals. In the absence of CrVI iron is added as FeIII. Destabilized silica also fulfills two functions. It reacts with the metal and metal hydroxides and reduces the soil permeability. The leaching rate (mg/m[sup 2]s) of a metal is the product of leachate flow rate ([ell]/M[sup 2]s)more » and the leachate concentration (mg/[ell]). The leachate flow rate is directly proportional to the hydraulic coefficient (Darcy's Law). Treatment with destabilized silica reduces the hydraulic coefficient of virgin soil (K[sub h] = 10[sup [minus]2]...10[sup [minus]4]) to K[sub h]=10[sup [minus]7] (cm/s) resulting in a flow rate reduction of 3--5 orders of magnitude. Iron plus silica treatment results in a leachate concentration reduction of up to 2 orders of magnitude (Cr:95--99%;Pb:99%;Zn 95--99%; Cd:93--99%; Ni:75--94%). Combined effect of flow rate reduction and leachate concentration reduction results in a potential leaching rate reduction of five to seven orders of magnitude. Iron-silica treatment may be developed into an efficient containment technology, provided the silica gel integrity does not change with time.« less

Chromate reduction and heavy metal fixation in soil. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwitzgebel, K.

In situ reduction of chromates and the fixation of the metals Cr, Pb, Zn, Cu, Cd and Ni in soil was investigated using Fe II and soluble silica. Fe II fulfills two functions. It reduces chromates (CrVI) at soil pH to CrIII and the reaction products, Fe(OH){sub 3} and Cr(OH){sub 3}, coprecipitate/adsorb heavy metals. In the absence of CrVI iron is added as FeIII. Destabilized silica also fulfills two functions. It reacts with the metal and metal hydroxides and reduces the soil permeability. The leaching rate (mg/m{sup 2}s) of a metal is the product of leachate flow rate ({ell}/M{sup 2}s)more » and the leachate concentration (mg/{ell}). The leachate flow rate is directly proportional to the hydraulic coefficient (Darcy`s Law). Treatment with destabilized silica reduces the hydraulic coefficient of virgin soil (K{sub h} = 10{sup {minus}2}...10{sup {minus}4}) to K{sub h}=10{sup {minus}7} (cm/s) resulting in a flow rate reduction of 3--5 orders of magnitude. Iron plus silica treatment results in a leachate concentration reduction of up to 2 orders of magnitude (Cr:95--99%;Pb:99%;Zn 95--99%; Cd:93--99%; Ni:75--94%). Combined effect of flow rate reduction and leachate concentration reduction results in a potential leaching rate reduction of five to seven orders of magnitude. Iron-silica treatment may be developed into an efficient containment technology, provided the silica gel integrity does not change with time.« less

On the surface of superfluids

NASA Astrophysics Data System (ADS)

Armas, Jay; Bhattacharya, Jyotirmoy; Jain, Akash; Kundu, Nilay

2017-06-01

Developing on a recent work on localized bubbles of ordinary relativistic fluids, we study the comparatively richer leading order surface physics of relativistic superfluids, coupled to an arbitrary stationary background metric and gauge field in 3 + 1 and 2 + 1 dimensions. The analysis is performed with the help of a Euclidean effective action in one lower dimension, written in terms of the superfluid Goldstone mode, the shape-field (characterizing the surface of the superfluid bubble) and the background fields. We find new terms in the ideal order constitutive relations of the superfluid surface, in both the parity-even and parity-odd sectors, with the corresponding transport coefficients entirely fixed in terms of the first order bulk transport coefficients. Some bulk transport coefficients even enter and modify the surface thermodynamics. In the process, we also evaluate the stationary first order parity-odd bulk currents in 2 + 1 dimensions, which follows from four independent terms in the superfluid effective action in that sector. In the second part of the paper, we extend our analysis to stationary surfaces in 3 + 1 dimensional Galilean superfluids via the null reduction of null superfluids in 4 + 1 dimensions. The ideal order constitutive relations in the Galilean case also exhibit some new terms similar to their relativistic counterparts. Finally, in the relativistic context, we turn on slow but arbitrary time dependence and answer some of the key questions regarding the time-dependent dynamics of the shape-field using the second law of thermodynamics. A linearized fluctuation analysis in 2 + 1 dimensions about a toy equilibrium configuration reveals some new surface modes, including parity-odd ones. Our framework can be easily applied to model more general interfaces between distinct fluid-phases.

Quality assessment of remote sensing image fusion using feature-based fourth-order correlation coefficient

NASA Astrophysics Data System (ADS)

Ma, Dan; Liu, Jun; Chen, Kai; Li, Huali; Liu, Ping; Chen, Huijuan; Qian, Jing

2016-04-01

In remote sensing fusion, the spatial details of a panchromatic (PAN) image and the spectrum information of multispectral (MS) images will be transferred into fused images according to the characteristics of the human visual system. Thus, a remote sensing image fusion quality assessment called feature-based fourth-order correlation coefficient (FFOCC) is proposed. FFOCC is based on the feature-based coefficient concept. Spatial features related to spatial details of the PAN image and spectral features related to the spectrum information of MS images are first extracted from the fused image. Then, the fourth-order correlation coefficient between the spatial and spectral features is calculated and treated as the assessment result. FFOCC was then compared with existing widely used indices, such as Erreur Relative Globale Adimensionnelle de Synthese, and quality assessed with no reference. Results of the fusion and distortion experiments indicate that the FFOCC is consistent with subjective evaluation. FFOCC significantly outperforms the other indices in evaluating fusion images that are produced by different fusion methods and that are distorted in spatial and spectral features by blurring, adding noise, and changing intensity. All the findings indicate that the proposed method is an objective and effective quality assessment for remote sensing image fusion.

A fresh look at linear ordinary differential equations with constant coefficients. Revisiting the impulsive response method using factorization

NASA Astrophysics Data System (ADS)

Camporesi, Roberto

2016-01-01

We present an approach to the impulsive response method for solving linear constant-coefficient ordinary differential equations of any order based on the factorization of the differential operator. The approach is elementary, we only assume a basic knowledge of calculus and linear algebra. In particular, we avoid the use of distribution theory, as well as of the other more advanced approaches: Laplace transform, linear systems, the general theory of linear equations with variable coefficients and variation of parameters. The approach presented here can be used in a first course on differential equations for science and engineering majors.

Efficient nonlinear equalizer for intra-channel nonlinearity compensation for next generation agile and dynamically reconfigurable optical networks.

PubMed

Malekiha, Mahdi; Tselniker, Igor; Plant, David V

2016-02-22

In this work, we propose and experimentally demonstrate a novel low-complexity technique for fiber nonlinearity compensation. We achieved a transmission distance of 2818 km for a 32-GBaud dual-polarization 16QAM signal. For efficient implantation, and to facilitate integration with conventional digital signal processing (DSP) approaches, we independently compensate fiber nonlinearities after linear impairment equalization. Therefore this algorithm can be easily implemented in currently deployed transmission systems after using linear DSP. The proposed equalizer operates at one sample per symbol and requires only one computation step. The structure of the algorithm is based on a first-order perturbation model with quantized perturbation coefficients. Also, it does not require any prior calculation or detailed knowledge of the transmission system. We identified common symmetries between perturbation coefficients to avoid duplicate and unnecessary operations. In addition, we use only a few adaptive filter coefficients by grouping multiple nonlinear terms and dedicating only one adaptive nonlinear filter coefficient to each group. Finally, the complexity of the proposed algorithm is lower than previously studied nonlinear equalizers by more than one order of magnitude.

Development of Fast Deterministic Physically Accurate Solvers for Kinetic Collision Integral for Applications of Near Space Flight and Control Devices

DTIC Science & Technology

2015-08-31

following functions were used: where are the Legendre polynomials of degree . It is assumed that the coefficient standing with has the form...enforce relaxation rates of high order moments, higher order polynomial basis functions are used. The use of high order polynomials results in strong...enforced while only polynomials up to second degree were used in the representation of the collision frequency. It can be seen that the new model

Microstructure and tribological properties of TiCu2Al intermetallic compound coating

NASA Astrophysics Data System (ADS)

Guo, Chun; Zhou, Jiansong; Zhao, Jierong; Wang, Linqian; Yu, Youjun; Chen, Jianmin; Zhou, Huidi

2011-04-01

TiCu2Al ternary intermetallic compound coating has been in situ synthesized successfully on pure Ti substrate by laser cladding. Tribological properties of the prepared TiCu2Al intermetallic compound coating were systematically evaluated. It was found that the friction coefficient and wear rate was closely related to the normal load and sliding speed, i.e., the friction coefficient of the prepared TiCu2Al intermetallic compound coating decreased with increasing normal load and sliding speed. The wear rate of the TiCu2Al intermetallic compound coating decreased rapidly with increasing sliding speed, while the wear rate first increased and then decreased at normal load from 5 to 15 N.

Comparative analysis of death by suicide in Brazil and in the United States: descriptive, cross-sectional time series study.

PubMed

Abuabara, Alexander; Abuabara, Allan; Tonchuk, Carin Albino Luçolli

2017-01-01

The World Health Organization recognizes suicide as a public health priority. Increased knowledge of suicide risk factors is needed in order to be able to adopt effective prevention strategies. The aim of this study was to analyze and compare the association between the Gini coefficient (which is used to measure inequality) and suicide death rates over a 14-year period (2000-2013) in Brazil and in the United States (US). The hypothesis put forward was that reduction of income inequality is accompanied by reduction of suicide rates. Descriptive cross-sectional time-series study in Brazil and in the US. Population, death and suicide death data were extracted from the DATASUS database in Brazil and from the National Center for Health Statistics in the US. Gini coefficient data were obtained from the World Development Indicators. Time series analysis was performed on Brazilian and American official data regarding the number of deaths caused by suicide between 2000 and 2013 and the Gini coefficients of the two countries. The suicide trends were examined and compared. Brazil and the US present converging Gini coefficients, mainly due to reduction of inequality in Brazil over the last decade. However, suicide rates are not converging as hypothesized, but are in fact rising in both countries. The hypothesis that reduction of income inequality is accompanied by reduction of suicide rates was not verified.

A review of light-scattering techniques for the study of colloids in natural waters

USGS Publications Warehouse

Rees, T.F.

1987-01-01

In order to understand the movement of colloidal materials in natural waters, we first need to have a means of quantifying their physical characteristics. This paper reviews three techniques which utilize light-scattering phenomena to measure the translational diffusion coefficient, the rotational diffusion coefficient, and the electrophoretic mobility of colloids suspended in water. Primary emphasis is to provide sufficient theoretical detail so that hydrologists can evaluate the utility of photon correlation spectrometry, electrophoretic light scattering, and electric birefringence analysis. ?? 1987.

Modeling reactive ammonia uptake by secondary organic aerosol in CMAQ: application to the continental US

NASA Astrophysics Data System (ADS)

Zhu, Shupeng; Horne, Jeremy R.; Montoya-Aguilera, Julia; Hinks, Mallory L.; Nizkorodov, Sergey A.; Dabdub, Donald

2018-03-01

Ammonium salts such as ammonium nitrate and ammonium sulfate constitute an important fraction of the total fine particulate matter (PM2.5) mass. While the conversion of inorganic gases into particulate-phase sulfate, nitrate, and ammonium is now well understood, there is considerable uncertainty over interactions between gas-phase ammonia and secondary organic aerosols (SOAs). Observations have confirmed that ammonia can react with carbonyl compounds in SOA, forming nitrogen-containing organic compounds (NOCs). This chemistry consumes gas-phase NH3 and may therefore affect the amount of ammonium nitrate and ammonium sulfate in particulate matter (PM) as well as particle acidity. In order to investigate the importance of such reactions, a first-order loss rate for ammonia onto SOA was implemented into the Community Multiscale Air Quality (CMAQ) model based on the ammonia uptake coefficients reported in the literature. Simulations over the continental US were performed for the winter and summer of 2011 with a range of uptake coefficients (10-3-10-5). Simulation results indicate that a significant reduction in gas-phase ammonia may be possible due to its uptake onto SOA; domain-averaged ammonia concentrations decrease by 31.3 % in the winter and 67.0 % in the summer with the highest uptake coefficient (10-3). As a result, the concentration of particulate matter is also significantly affected, with a distinct spatial pattern over different seasons. PM concentrations decreased during the winter, largely due to the reduction in ammonium nitrate concentrations. On the other hand, PM concentrations increased during the summer due to increased biogenic SOA (BIOSOA) production resulting from enhanced acid-catalyzed uptake of isoprene-derived epoxides. Since ammonia emissions are expected to increase in the future, it is important to include NH3 + SOA chemistry in air quality models.

Kinetics of hydrophobic organic contaminant extraction from sediment by granular activated carbon.

PubMed

Rakowska, M I; Kupryianchyk, D; Smit, M P J; Koelmans, A A; Grotenhuis, J T C; Rijnaarts, H H M

2014-03-15

Ex situ solid phase extraction with granular activated carbon (GAC) is a promising technique to remediate contaminated sediments. The methods' efficiency depends on the rate by which contaminants are transferred from the sediment to the surface of GAC. Here, we derive kinetic parameters for extraction of polycyclic aromatic hydrocarbons (PAH) from sediment by GAC, using a first-order multi-compartment kinetic model. The parameters were obtained by modeling sediment-GAC exchange kinetic data following a tiered model calibration approach. First, parameters for PAH desorption from sediment were calibrated using data from systems with 50% (by weight) GAC acting as an infinite sink. Second, the estimated parameters were used as fixed input to obtain GAC uptake kinetic parameters in sediment slurries with 4% GAC, representing the ex situ remediation scenario. PAH uptake rate constants (kGAC) by GAC ranged from 0.44 to 0.0005 d(-1), whereas GAC sorption coefficients (KGAC) ranged from 10(5.57) to 10(8.57) L kg(-1). These values are the first provided for GAC in the presence of sediment and show that ex situ extraction with GAC is sufficiently fast and effective to reduce the risks of the most available PAHs among those studied, such as fluorene, phenanthrene and anthracene. Copyright © 2013 Elsevier Ltd. All rights reserved.

Coherent source interaction, third-order nonlinear response of synthesized PEG coated magnetite nanoparticles in polyethylene glycol and its application

NASA Astrophysics Data System (ADS)

Gopal, S. Veena; Chitrambalam, S.; Joe, I. Hubert

2018-01-01

Third-order nonlinear response of synthesized polyethylene glycol coated Fe3O4 nanoparticles dispersed in a suitable solvent, polyethylene glycol has been studied. The structural characterization of the synthesized magnetite nanoparticles were carried out. The linear optical property of the synthesized magnetite nanoparticles was investigated using UV-visible technique. Both closed and open aperture Z-scan techniques have been performed at 532 nm with pulse width 5 ns and repetition rate 10 Hz. It was found that polyethylene glycol coated magnetite exhibits reverse saturable absorption, with significant nonlinear absorption coefficient. Two-photon absorption intensity dependent positive nonlinear refraction coefficients indicate self focusing phenomena. Results show that higher concentration gives better nonlinear and optical limiting properties.

Numerical methods for comparing fresh and weathered oils by their FTIR spectra.

PubMed

Li, Jianfeng; Hibbert, D Brynn; Fuller, Stephen

2007-08-01

Four comparison statistics ('similarity indices') for the identification of the source of a petroleum oil spill based on the ASTM standard test method D3414 were investigated. Namely, (1) first difference correlation coefficient squared and (2) correlation coefficient squared, (3) first difference Euclidean cosine squared and (4) Euclidean cosine squared. For numerical comparison, an FTIR spectrum is divided into three regions, described as: fingerprint (900-700 cm(-1)), generic (1350-900 cm(-1)) and supplementary (1770-1685 cm(-1)), which are the same as the three major regions recommended by the ASTM standard. For fresh oil samples, each similarity index was able to distinguish between replicate independent spectra of the same sample and between different samples. In general, the two first difference-based indices worked better than their parent indices. To provide samples to reveal relationships between weathered and fresh oils, a simple artificial weathering procedure was carried out. Euclidean cosine and correlation coefficients both worked well to maintain identification of a match in the fingerprint region and the two first difference indices were better in the generic region. Receiver operating characteristic curves (true positive rate versus false positive rate) for decisions on matching using the fingerprint region showed two samples could be matched when the difference in weathering time was up to 7 days. Beyond this time the true positive rate falls and samples cannot be reliably matched. However, artificial weathering of a fresh source sample can aid the matching of a weathered sample to its real source from a pool of very similar candidates.

Prediction of Soil pH Hyperspectral Spectrum in Guanzhong Area of Shaanxi Province Based on PLS

NASA Astrophysics Data System (ADS)

Liu, Jinbao; Zhang, Yang; Wang, Huanyuan; Cheng, Jie; Tong, Wei; Wei, Jing

2017-12-01

The soil pH of Fufeng County, Yangling County and Wugong County in Shaanxi Province was studied. The spectral reflectance was measured by ASD Field Spec HR portable terrain spectrum, and its spectral characteristics were analyzed. The first deviation of the original spectral reflectance of the soil, the second deviation, the logarithm of the reciprocal logarithm, the first order differential of the reciprocal logarithm and the second order differential of the reciprocal logarithm were used to establish the soil pH Spectral prediction model. The results showed that the correlation between the reflectance spectra after SNV pre-treatment and the soil pH was significantly improved. The optimal prediction model of soil pH established by partial least squares method was a prediction model based on the first order differential of the reciprocal logarithm of spectral reflectance. The principal component factor was 10, the decision coefficient Rc2 = 0.9959, the model root means square error RMSEC = 0.0076, the correction deviation SEC = 0.0077; the verification decision coefficient Rv2 = 0.9893, the predicted root mean square error RMSEP = 0.0157, The deviation of SEP = 0.0160, the model was stable, the fitting ability and the prediction ability were high, and the soil pH can be measured quickly.

Intra Frame Coding In Advanced Video Coding Standard (H.264) to Obtain Consistent PSNR and Reduce Bit Rate for Diagonal Down Left Mode Using Gaussian Pulse

NASA Astrophysics Data System (ADS)

Manjanaik, N.; Parameshachari, B. D.; Hanumanthappa, S. N.; Banu, Reshma

2017-08-01

Intra prediction process of H.264 video coding standard used to code first frame i.e. Intra frame of video to obtain good coding efficiency compare to previous video coding standard series. More benefit of intra frame coding is to reduce spatial pixel redundancy with in current frame, reduces computational complexity and provides better rate distortion performance. To code Intra frame it use existing process Rate Distortion Optimization (RDO) method. This method increases computational complexity, increases in bit rate and reduces picture quality so it is difficult to implement in real time applications, so the many researcher has been developed fast mode decision algorithm for coding of intra frame. The previous work carried on Intra frame coding in H.264 standard using fast decision mode intra prediction algorithm based on different techniques was achieved increased in bit rate, degradation of picture quality(PSNR) for different quantization parameters. Many previous approaches of fast mode decision algorithms on intra frame coding achieved only reduction of computational complexity or it save encoding time and limitation was increase in bit rate with loss of quality of picture. In order to avoid increase in bit rate and loss of picture quality a better approach was developed. In this paper developed a better approach i.e. Gaussian pulse for Intra frame coding using diagonal down left intra prediction mode to achieve higher coding efficiency in terms of PSNR and bitrate. In proposed method Gaussian pulse is multiplied with each 4x4 frequency domain coefficients of 4x4 sub macro block of macro block of current frame before quantization process. Multiplication of Gaussian pulse for each 4x4 integer transformed coefficients at macro block levels scales the information of the coefficients in a reversible manner. The resulting signal would turn abstract. Frequency samples are abstract in a known and controllable manner without intermixing of coefficients, it avoids picture getting bad hit for higher values of quantization parameters. The proposed work was implemented using MATLAB and JM 18.6 reference software. The proposed work measure the performance parameters PSNR, bit rate and compression of intra frame of yuv video sequences in QCIF resolution under different values of quantization parameter with Gaussian value for diagonal down left intra prediction mode. The simulation results of proposed algorithm are tabulated and compared with previous algorithm i.e. Tian et al method. The proposed algorithm achieved reduced in bit rate averagely 30.98% and maintain consistent picture quality for QCIF sequences compared to previous algorithm i.e. Tian et al method.

Numerical analysis of electrically tunable aspherical optofluidic lenses.

PubMed

In this work, we use the numerical simulation platform Zemax to investigate the optical properties of electrically tunable aspherical liquid lenses, as we recently reported in an experimental study [ K. Mishra C. Murade B. Carreel I. Roghair J. M. Oh G. Manukyan D. van den Ende F. Mugele , "Optofluidic lens with tunable focal length and asphericity," Sci. Rep.4, 6378 (2014)]. Based on the measured lens profiles in the presence of an inhomogeneous electric field and the geometry of the optical device, we calculate the optical aberrations, focusing in particular on the Z11 Zernike coefficient of spherical aberration obtained at zero defocus (Z4). Focal length and spherical aberrations are calculated for a wide range of control parameters (fluid pressure and electric field), parallel with the experimental results. Similarly, the modulation transfer function (MTF), image spot diagrams, Strehl's ratio, and peak-to-valley (P-V) and root mean square (RMS) wavefront errors are calculated to quantify the performance of our aspherical liquid lenses. We demonstrate that the device concept allows compensation for a wide range of spherical aberrations encountered in optical systems.; Mishra, Kartikeya; Mugele, Frieder

2016-06-27

In this work, we use the numerical simulation platform Zemax to investigate the optical properties of electrically tunable aspherical liquid lenses, as we recently reported in an experimental study [ K. Mishra C. Murade B. Carreel I. Roghair J. M. Oh G. Manukyan D. van den Ende F. Mugele , "Optofluidic lens with tunable focal length and asphericity," Sci. Rep.4, 6378 (2014)]. Based on the measured lens profiles in the presence of an inhomogeneous electric field and the geometry of the optical device, we calculate the optical aberrations, focusing in particular on the Z11 Zernike coefficient of spherical aberration obtained at zero defocus (Z4). Focal length and spherical aberrations are calculated for a wide range of control parameters (fluid pressure and electric field), parallel with the experimental results. Similarly, the modulation transfer function (MTF), image spot diagrams, Strehl's ratio, and peak-to-valley (P-V) and root mean square (RMS) wavefront errors are calculated to quantify the performance of our aspherical liquid lenses. We demonstrate that the device concept allows compensation for a wide range of spherical aberrations encountered in optical systems.

Cloud Tracking from Satellite Pictures.

DTIC Science & Technology

1981-07-01

sufficiently smooth contours, this information can be obtained from very few low-order coefficients. The inverse transform of the two lowest-order...obtained from very few low- order coefficients. The inverse transform of the two lowest-order coefficients is an ellipse approximating the original...coefficients obtained from the contour of Fig. 9. .. . ........ .. .. ... ..... 67 11. Inverse transform of truncated FD series .. .. . .. .... 67 12

Laser induced heat source distribution in bio-tissues

NASA Astrophysics Data System (ADS)

Li, Xiaoxia; Fan, Shifu; Zhao, Youquan

2006-09-01

During numerical simulation of laser and tissue thermal interaction, the light fluence rate distribution should be formularized and constituted to the source term in the heat transfer equation. Usually the solution of light irradiative transport equation is given in extreme conditions such as full absorption (Lambert-Beer Law), full scattering (Lubelka-Munk theory), most scattering (Diffusion Approximation) et al. But in specific conditions, these solutions will induce different errors. The usually used Monte Carlo simulation (MCS) is more universal and exact but has difficulty to deal with dynamic parameter and fast simulation. Its area partition pattern has limits when applying FEM (finite element method) to solve the bio-heat transfer partial differential coefficient equation. Laser heat source plots of above methods showed much difference with MCS. In order to solve this problem, through analyzing different optical actions such as reflection, scattering and absorption on the laser induced heat generation in bio-tissue, a new attempt was made out which combined the modified beam broaden model and the diffusion approximation model. First the scattering coefficient was replaced by reduced scattering coefficient in the beam broaden model, which is more reasonable when scattering was treated as anisotropic scattering. Secondly the attenuation coefficient was replaced by effective attenuation coefficient in scattering dominating turbid bio-tissue. The computation results of the modified method were compared with Monte Carlo simulation and showed the model provided reasonable predictions of heat source term distribution than past methods. Such a research is useful for explaining the physical characteristics of heat source in the heat transfer equation, establishing effective photo-thermal model, and providing theory contrast for related laser medicine experiments.

Initial geomagnetic field model from Magsat vector data

NASA Technical Reports Server (NTRS)

Langel, R. A.; Mead, G. D.; Lancaster, E. R.; Estes, R. H.; Fabiano, E. B.

1980-01-01

Magsat data from the magnetically quiet days of November 5-6, 1979, were used to derive a thirteenth degree and order spherical harmonic geomagnetic field model, MGST(6/80). The model utilized both scalar and high-accuracy vector data and fit that data with root-mean-square deviations of 8.2, 6.9, 7.6 and 7.4 nT for the scalar magnitude, B(r), B(theta), and B(phi), respectively. The model includes the three first-order coefficients of the external field. Comparison with averaged Dst indicates that zero Dst corresponds with 25 nT of horizontal field from external sources. When compared with earlier models, the earth's dipole moment continues to decrease at a rate of about 26 nT/yr. Evaluation of earlier models with Magsat data shows that the scalar field at the Magsat epoch is best predicted by the POGO(2/72) model but that the WC80, AWC/75 and IGS/75 are better for predicting vector fields.

Higher-order clustering in networks

NASA Astrophysics Data System (ADS)

Yin, Hao; Benson, Austin R.; Leskovec, Jure

2018-05-01

A fundamental property of complex networks is the tendency for edges to cluster. The extent of the clustering is typically quantified by the clustering coefficient, which is the probability that a length-2 path is closed, i.e., induces a triangle in the network. However, higher-order cliques beyond triangles are crucial to understanding complex networks, and the clustering behavior with respect to such higher-order network structures is not well understood. Here we introduce higher-order clustering coefficients that measure the closure probability of higher-order network cliques and provide a more comprehensive view of how the edges of complex networks cluster. Our higher-order clustering coefficients are a natural generalization of the traditional clustering coefficient. We derive several properties about higher-order clustering coefficients and analyze them under common random graph models. Finally, we use higher-order clustering coefficients to gain new insights into the structure of real-world networks from several domains.

On Solving Linear Recurrences

ERIC Educational Resources Information Center

Dobbs, David E.

2013-01-01

A direct method is given for solving first-order linear recurrences with constant coefficients. The limiting value of that solution is studied as "n to infinity." This classroom note could serve as enrichment material for the typical introductory course on discrete mathematics that follows a calculus course.

Kinetics of moisture loss and oil uptake during deep fat frying of Gethi (Dioscorea kamoonensis Kunth) strips.

PubMed

Manjunatha, S S; Ravi, N; Negi, P S; Raju, P S; Bawa, A S

2014-11-01

Investigation was carried out to study kinetics of moisture loss, oil uptake and tristimulus colour during deep fat frying of Gethi (Dioscorea kamoonensis kunth) strips. Deep fat frying of Gethi strips of size 6 × 6 × 40 mm was carried out in a laboratory scale fryer at different temperatures ranging from 120 to 180 °C. The investigation showed that the moisture loss and oil uptake followed the first order kinetics equation (r > 0.95, p < 0.05). The kinetic coefficients for moisture loss and oil uptake increased significantly (p < 0.05) with temperature from 0.166 to 0.889 min(-1) and 0.139 to 0.430 min(-1) respectively. The temperature dependency of rate constants for moisture loss and oil uptake values was described using Arrhenius equation (r > 0.99, p < 0.01). The activation energies for moisture loss and oil uptake were found to be 41.53 KJ/mol and 27.12 KJ/mol respectively. The hunter colour parameters were significantly affected by frying temperature and frying time. The hunter lightness (L) value increased with respect to frying time initially, followed by decline and same trend was observed at higher temperatures of frying with elevated rate, whereas hunter redness (a) value increased significantly (p < 0.01) with time as well as temperature of frying and obeyed zero order rate equation. The temperature dependency kinetic coefficients of Hunter (a) value were described by Arrhenius equation and the energy of activation for change in hunter redness was found to be 42.41 KJ/mol (r > 0.99, p < 0.01). The other hunter colour parameters such as chroma, hue angle and total colour difference were markedly affected by frying temperature as well as frying time.

Batch soil adsorption and column transport studies of 2,4-dinitroanisole (DNAN) in soils

NASA Astrophysics Data System (ADS)

Arthur, Jennifer D.; Mark, Noah W.; Taylor, Susan; Šimunek, J.; Brusseau, M. L.; Dontsova, Katerina M.

2017-04-01

The explosive 2,4,6-trinitrotoluene (TNT) is currently a main ingredient in munitions; however the compound has failed to meet the new sensitivity requirements. The replacement compound being tested is 2,4-dinitroanisole (DNAN). DNAN is less sensitive to shock, high temperatures, and has good detonation characteristics. However, DNAN is more soluble than TNT, which can influence transport and fate behavior and thus bioavailability and human exposure potential. The objective of this study was to investigate the environmental fate and transport of DNAN in soil, with specific focus on sorption processes. Batch and column experiments were conducted using soils collected from military installations located across the United States. The soils were characterized for pH, electrical conductivity, specific surface area, cation exchange capacity, and organic carbon content. In the batch rate studies, change in DNAN concentration with time was evaluated using the first order equation, while adsorption isotherms were fitted using linear and Freundlich equations. Solution mass-loss rate coefficients ranged between 0.0002 h- 1 and 0.0068 h- 1. DNAN was strongly adsorbed by soils with linear adsorption coefficients ranging between 0.6 and 6.3 L g- 1, and Freundlich coefficients between 1.3 and 34 mg1 - n Ln kg- 1. Both linear and Freundlich adsorption coefficients were positively correlated with the amount of organic carbon and cation exchange capacity of the soil, indicating that similar to TNT, organic matter and clay minerals may influence adsorption of DNAN. The results of the miscible-displacement column experiments confirmed the impact of sorption on retardation of DNAN during transport. It was also shown that under flow conditions DNAN transforms readily with formation of amino transformation products, 2-ANAN and 4-ANAN. The magnitudes of retardation and transformation observed in this study result in significant attenuation potential for DNAN, which would be anticipated to contribute to a reduced risk for contamination of ground water from soil residues.

Batch soil adsorption and column transport studies of 2,4-dinitroanisole (DNAN) in soils.

PubMed

Arthur, Jennifer D; Mark, Noah W; Taylor, Susan; Šimunek, J; Brusseau, M L; Dontsova, Katerina M

2017-04-01

The explosive 2,4,6-trinitrotoluene (TNT) is currently a main ingredient in munitions; however the compound has failed to meet the new sensitivity requirements. The replacement compound being tested is 2,4-dinitroanisole (DNAN). DNAN is less sensitive to shock, high temperatures, and has good detonation characteristics. However, DNAN is more soluble than TNT, which can influence transport and fate behavior and thus bioavailability and human exposure potential. The objective of this study was to investigate the environmental fate and transport of DNAN in soil, with specific focus on sorption processes. Batch and column experiments were conducted using soils collected from military installations located across the United States. The soils were characterized for pH, electrical conductivity, specific surface area, cation exchange capacity, and organic carbon content. In the batch rate studies, change in DNAN concentration with time was evaluated using the first order equation, while adsorption isotherms were fitted using linear and Freundlich equations. Solution mass-loss rate coefficients ranged between 0.0002h -1 and 0.0068h -1 . DNAN was strongly adsorbed by soils with linear adsorption coefficients ranging between 0.6 and 6.3Lg -1 , and Freundlich coefficients between 1.3 and 34mg 1 - n L n kg -1 . Both linear and Freundlich adsorption coefficients were positively correlated with the amount of organic carbon and cation exchange capacity of the soil, indicating that similar to TNT, organic matter and clay minerals may influence adsorption of DNAN. The results of the miscible-displacement column experiments confirmed the impact of sorption on retardation of DNAN during transport. It was also shown that under flow conditions DNAN transforms readily with formation of amino transformation products, 2-ANAN and 4-ANAN. The magnitudes of retardation and transformation observed in this study result in significant attenuation potential for DNAN, which would be anticipated to contribute to a reduced risk for contamination of ground water from soil residues. Copyright © 2017 Elsevier B.V. All rights reserved.

Temperature-Dependent Effect of Boric Acid Additive on Surface Roughness and Wear Rate

NASA Astrophysics Data System (ADS)

Ekinci, Şerafettin

Wear and friction hold an important place in engineering. Currently, scientific societies are struggling to control wear by means of studies on lubricants. Boric acid constitutes an important alternative with its good tribological properties similar to MO2S and graphite alongside with low environmental impacts. Boric acid can be used as a solid lubricant itself whereas it can be added or blended into mineral oils in order to yield better mechanical and tribological properties such as low shear stress due to the lamellar structure and low friction, wear and surface roughness rates. In this study, distinguishing from the literature, boric acid addition effect considering the temperature was investigated for the conventional ranges of internal combustion engines. Surface roughness, wear and friction coefficient values were used in order to determine tribological properties of boric acid as an environmentally friendly additive and mineral oil mixture in the present study. Wear experiments were conducted with a ball on disc experimental setup immersed in an oil reservoir at room temperature, 50∘C and 80∘C. The evolution of both the friction coefficient and wear behavior was determined under 10N load, at 2m/s sliding velocity and a total sliding distance of 9000m. Surface roughness was determined using atomic-force microscopy (AFM). Wear rate was calculated utilizing scanning electron microscope (SEM) visuals and data. The test results showed that wear resistance increased as the temperature increased, and friction coefficient decreased due to the presence of boric acid additive.

Molecules as diagnostic tools in the interstellar medium

NASA Astrophysics Data System (ADS)

Spielfiedel, A.; Feautrier, N.; Balança, C.; Dayou, F.; Lique, F.; Senent, M.-L.

Analysis of light emission from different regions of the interstellar medium and circumstellar environments provides crucial information about the chemical composition and the physical conditions in these regions. Interpretation of the observed spectra requires the knowledge of collisional excitation rates as well as radiative rates participating to the line formation. In the first part, the paper focuses on collisional excitation rates of molecules relevant to the interstellar medium. It discusses currently available data and outlines new work carried out by the authors. Due to the use of accurate ab initio potential energy surfaces, the new rate coefficients differ significantly from previously published ones. In the second part, it is analysed from two examples how the use of the new rate coefficients could lead to important changes in the interpretation of molecular emission emerging from molecular clouds.

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

DOEpatents

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

2005-06-28

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

Solute partitioning under continuous cooling conditions as a cooling rate indicator. [in lunar rocks

NASA Technical Reports Server (NTRS)

Onorato, P. I. K.; Hopper, R. W.; Yinnon, H.; Uhlmann, D. R.; Taylor, L. A.; Garrison, J. R.; Hunter, R.

1981-01-01

A model of solute partitioning in a finite body under conditions of continuous cooling is developed for the determination of cooling rates from concentration profile data, and applied to the partitioning of zirconium between ilmenite and ulvospinel in the Apollo 15 Elbow Crater rocks. Partitioning in a layered composite solid is described numerically in terms of concentration profiles and diffusion coefficients which are functions of time and temperature, respectively; a program based on the model can be used to calculate concentration profiles for various assumed cooling rates given the diffusion coefficients in the two phases and the equilibrium partitioning ratio over a range of temperatures. In the case of the Elbow Rock gabbros, the cooling rates are calculated from measured concentration ratios 10 microns from the interphase boundaries under the assumptions of uniform and equilibrium initial conditions at various starting temperatures. It is shown that the specimens could not have had uniform concentrations profiles at the previously suggested initial temperature of 1350 K. It is concluded that even under conditions where the initial temperature, grain sizes and solute diffusion coefficients are not well characterized, the model can be used to estimate the cooling rate of a grain assemblage to within an order of magnitude.

Reliability and sources of variation of the ABILHAND-Kids questionnaire in children with cerebral palsy.

PubMed

de Jong, Lex D; van Meeteren, Annemiek; Emmelot, Cornelis H; Land, Nanne E; Dijkstra, Pieter U

2018-03-01

To determine reliability of the ABILHAND-Kids, explore sources of variation associated with these measurement results, and generate repeatability coefficients. A reliability study with a repeated measures design was performed in an ambulatory rehabilitation care department from a rehabilitation center, and a center for special education. A physician, an occupational therapist, and parents of 27 children with spastic cerebral palsy independently rated the children's manual capacity when performing 21 standardized tasks of the ABILHAND-Kids from video recordings twice with a three week time interval (27 first-, and 25 second video recordings available). Parents additionally rated their children's performance based on their own perception of their child's ability to perform manual activities in everyday life, resulting in eight ratings per child. ABILHAND-Kids ratings were systematically different between observers, sessions, and rating method. Participant × observer interaction (66%) and residual variance (20%) contributed the most to error variance (9%). Test-retest reliability was 0.92. Repeatability coefficients (between 0.81 and 1.82 logit points) were largest for the parents' performance-based ratings. ABILHAND-Kids scores can be reliably used as a performance- and capacity-based rating method across different raters. Parents' performance-based ratings are less reliable than their capacity-based ratings. Resulting repeatability coefficients can be used to interpret ABILHAND-Kids ratings with more confidence. Implications for Rehabilitation The ABILHAND-Kids is a valuable tool to assess a child's unimanual and bimanual upper limb activities. The reliability of the ABILHANDS-Kids is good across different observers as a performance- and capacity-based rating method. Parents' performance-based ratings are less reliable than their capacity-based ones. This study has generated repeatability coefficients for clinical decision making.

Consanguineous marriages in the United Arab Emirates.

PubMed

al-Gazali, L I; Bener, A; Abdulrazzaq, Y M; Micallef, R; al-Khayat, A I; Gaber, T

1997-10-01

This study examines the frequency of consanguineous marriage and the coefficient of inbreeding in the United Arab Emirates (UAE). The study was conducted in Al Ain and Dubai cities between October 1994 and March 1995. A sample of 2033 married UAE females aged 15 years and over participated. The degree of consanguinity between each female and her spouse, and the degree of consanguinity between their parents were recorded. The rate of consanguinity in the present generation was high (50.5%) with a coefficient of inbreeding of 0.0222. The commonest type of consanguineous marriage was between first cousins (26.2%). Double first cousin marriages were common (3.5%) compared to other populations. The consanguinity rate in the UAE has increased from 39% to 50.5% in one generation. The level of consanguinity was higher in Al Ain (54.2%) than in Dubai (40%).

PAN AIR: A Computer Program for Predicting Subsonic or Supersonic Linear Potential Flows About Arbitrary Configurations Using a Higher Order Panel Method. Volume 1; Theory Document (Version 1.1)

NASA Technical Reports Server (NTRS)

Magnus, Alfred E.; Epton, Michael A.

1981-01-01

An outline of the derivation of the differential equation governing linear subsonic and supersonic potential flow is given. The use of Green's Theorem to obtain an integral equation over the boundary surface is discussed. The engineering techniques incorporated in the PAN AIR (Panel Aerodynamics) program (a discretization method which solves the integral equation for arbitrary first order boundary conditions) are then discussed in detail. Items discussed include the construction of the compressibility transformations, splining techniques, imposition of the boundary conditions, influence coefficient computation (including the concept of the finite part of an integral), computation of pressure coefficients, and computation of forces and moments.

High-Order Residual-Distribution Schemes for Discontinuous Problems on Irregular Triangular Grids

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Nishikawa, Hiroaki

2016-01-01

In this paper, we develop second- and third-order non-oscillatory shock-capturing hyperbolic residual distribution schemes for irregular triangular grids, extending our second- and third-order schemes to discontinuous problems. We present extended first-order N- and Rusanov-scheme formulations for hyperbolic advection-diffusion system, and demonstrate that the hyperbolic diffusion term does not affect the solution of inviscid problems for vanishingly small viscous coefficient. We then propose second- and third-order blended hyperbolic residual-distribution schemes with the extended first-order Rusanov-scheme. We show that these proposed schemes are extremely accurate in predicting non-oscillatory solutions for discontinuous problems. We also propose a characteristics-based nonlinear wave sensor for accurately detecting shocks, compression, and expansion regions. Using this proposed sensor, we demonstrate that the developed hyperbolic blended schemes do not produce entropy-violating solutions (unphysical stocks). We then verify the design order of accuracy of these blended schemes on irregular triangular grids.

Solving the Rational Polynomial Coefficients Based on L Curve

NASA Astrophysics Data System (ADS)

Zhou, G.; Li, X.; Yue, T.; Huang, W.; He, C.; Huang, Y.

2018-05-01

The rational polynomial coefficients (RPC) model is a generalized sensor model, which can achieve high approximation accuracy. And it is widely used in the field of photogrammetry and remote sensing. Least square method is usually used to determine the optimal parameter solution of the rational function model. However the distribution of control points is not uniform or the model is over-parameterized, which leads to the singularity of the coefficient matrix of the normal equation. So the normal equation becomes ill conditioned equation. The obtained solutions are extremely unstable and even wrong. The Tikhonov regularization can effectively improve and solve the ill conditioned equation. In this paper, we calculate pathological equations by regularization method, and determine the regularization parameters by L curve. The results of the experiments on aerial format photos show that the accuracy of the first-order RPC with the equal denominators has the highest accuracy. The high order RPC model is not necessary in the processing of dealing with frame images, as the RPC model and the projective model are almost the same. The result shows that the first-order RPC model is basically consistent with the strict sensor model of photogrammetry. Orthorectification results both the firstorder RPC model and Camera Model (ERDAS9.2 platform) are similar to each other, and the maximum residuals of X and Y are 0.8174 feet and 0.9272 feet respectively. This result shows that RPC model can be used in the aerial photographic compensation replacement sensor model.

Parameter identification of pedestrian's spring-mass-damper model by ground reaction force records through a particle filter approach

NASA Astrophysics Data System (ADS)

Wang, Haoqi; Chen, Jun; Brownjohn, James M. W.

2017-12-01

The spring-mass-damper (SMD) model with a pair of internal biomechanical forces is the simplest model for a walking pedestrian to represent his/her mechanical properties, and thus can be used in human-structure-interaction analysis in the vertical direction. However, the values of SMD stiffness and damping, though very important, are typically taken as those measured from stationary people due to lack of a parameter identification methods for a walking pedestrian. This study adopts a step-by-step system identification approach known as particle filter to simultaneously identify the stiffness, damping coefficient, and coefficients of the SMD model's biomechanical forces by ground reaction force (GRF) records. After a brief introduction of the SMD model, the proposed identification approach is explained in detail, with a focus on the theory of particle filter and its integration with the SMD model. A numerical example is first provided to verify the feasibility of the proposed approach which is then applied to several experimental GRF records. Identification results demonstrate that natural frequency and the damping ratio of a walking pedestrian are not constant but have a dependence of mean value and distribution on pacing frequency. The mean value first-order coefficient of the biomechanical force, which is expressed by the Fourier series function, also has a linear relationship with pacing frequency. Higher order coefficients do not show a clear relationship with pacing frequency but follow a logarithmic normal distribution.

How fast does water flow in carbon nanotubes?

PubMed

Kannam, Sridhar Kumar; Todd, B D; Hansen, J S; Daivis, Peter J

2013-03-07

The purpose of this paper is threefold. First, we review the existing literature on flow rates of water in carbon nanotubes. Data for the slip length which characterizes the flow rate are scattered over 5 orders of magnitude for nanotubes of diameter 0.81-10 nm. Second, we precisely compute the slip length using equilibrium molecular dynamics (EMD) simulations, from which the interfacial friction between water and carbon nanotubes can be found, and also via external field driven non-equilibrium molecular dynamics simulations (NEMD). We discuss some of the issues in simulation studies which may be reasons for the large disagreements reported. By using the EMD method friction coefficient to determine the slip length, we overcome the limitations of NEMD simulations. In NEMD simulations, for each tube we apply a range of external fields to check the linear response of the fluid to the field and reliably extrapolate the results for the slip length to values of the field corresponding to experimentally accessible pressure gradients. Finally, we comment on several issues concerning water flow rates in carbon nanotubes which may lead to some future research directions in this area.

Application of unsteady flow rate evaluations to identify the dynamic transfer function of a cavitatingVenturi

NASA Astrophysics Data System (ADS)

Marie-Magdeleine, A.; Fortes-Patella, R.; Lemoine, N.; Marchand, N.

2012-11-01

This study concerns the simulation of the implementation of the Kinetic Differential Pressure (KDP) method used for the unsteady mass flow rate evaluation in order to identify the dynamic transfer matrix of a cavitatingVenturi. Firstly, the equations of the IZ code used for this simulation are introduced. Next, the methodology for evaluating unsteady pressures and mass flow rates at the inlet and the outlet of the cavitatingVenturi and for identifying the dynamic transfer matrix is presented. Later, the robustness of the method towards measurement uncertainties implemented as a Gaussian white noise is studied. The results of the numerical simulations let us estimate the system linearity domain and to perform the Empirical Transfer Function Evaluation on the inlet frequency per frequency signal and on the chirp signal tests. Then the pressure data obtained with the KDP method is taken and the identification procedure by ETFE and by the user-made Auto-Recursive Moving-Average eXogenous algorithms is performed and the obtained transfer matrix coefficients are compared with those obtained from the simulated input and output data.

Analytical solutions for efficient interpretation of single-well push-pull tracer tests

NASA Astrophysics Data System (ADS)

Huang, Junqi; Christ, John A.; Goltz, Mark N.

2010-08-01

Single-well push-pull tracer tests have been used to characterize the extent, fate, and transport of subsurface contamination. Analytical solutions provide one alternative for interpreting test results. In this work, an exact analytical solution to two-dimensional equations describing the governing processes acting on a dissolved compound during a modified push-pull test (advection, longitudinal and transverse dispersion, first-order decay, and rate-limited sorption/partitioning in steady, divergent, and convergent flow fields) is developed. The coupling of this solution with inverse modeling to estimate aquifer parameters provides an efficient methodology for subsurface characterization. Synthetic data for single-well push-pull tests are employed to demonstrate the utility of the solution for determining (1) estimates of aquifer longitudinal and transverse dispersivities, (2) sorption distribution coefficients and rate constants, and (3) non-aqueous phase liquid (NAPL) saturations. Employment of the solution to estimate NAPL saturations based on partitioning and non-partitioning tracers is designed to overcome limitations of previous efforts by including rate-limited mass transfer. This solution provides a new tool for use by practitioners when interpreting single-well push-pull test results.

Phytoplankton absorption predicts patterns in primary productivity in Australian coastal shelf waters

NASA Astrophysics Data System (ADS)

Robinson, C. M.; Cherukuru, N.; Hardman-Mountford, N. J.; Everett, J. D.; McLaughlin, M. J.; Davies, K. P.; Van Dongen-Vogels, V.; Ralph, P. J.; Doblin, M. A.

2017-06-01

The phytoplankton absorption coefficient (aPHY) has been suggested as a suitable alternate first order predictor of net primary productivity (NPP). We compiled a dataset of surface bio-optical properties and phytoplankton NPP measurements in coastal waters around Australia to examine the utility of an in-situ absorption model to estimate NPP. The magnitude of surface NPP (0.20-19.3 mmol C m-3 d-1) across sites was largely driven by phytoplankton biomass, with higher rates being attributed to the microplankton (>20 μm) size class. The phytoplankton absorption coefficient aPHY for PAR (photosynthetically active radiation; āPHY)) ranged from 0.003 to 0.073 m-1, influenced by changes in phytoplankton community composition, physiology and environmental conditions. The aPHY coefficient also reflected changes in NPP and the absorption model-derived NPP could explain 73% of the variability in measured surface NPP (n = 41; RMSE = 2.49). The absorption model was applied to two contrasting coastal locations to examine NPP dynamics: a high chlorophyll-high variation (HCHV; Port Hacking National Reference Station) and moderate chlorophyll-low variation (MCLV; Yongala National Reference Station) location in eastern Australia using the GIOP-DC satellite aPHY product. Mean daily NPP rates between 2003 and 2015 were higher at the HCHV site (1.71 ± 0.03 mmol C m-3 d-1) with the annual maximum NPP occurring during the austral winter. In contrast, the MCLV site annual NPP peak occurred during the austral wet season and had lower mean daily NPP (1.43 ± 0.03 mmol C m-3 d-1) across the time-series. An absorption-based model to estimate NPP is a promising approach for exploring the spatio-temporal dynamics in phytoplankton NPP around the Australian continental shelf.

Experimental study of heat transfer enhancement due to the surface vibrations in a flexible double pipe heat exchanger

NASA Astrophysics Data System (ADS)

Hosseinian, A.; Meghdadi Isfahani, A. H.

2018-04-01

In this study, the heat transfer enhancement due to the surface vibration for a double pipe heat exchanger, made of PVDF, is investigated. In order to create forced vibrations (3-9 m/s2, 100 Hz) on the outer surface of the heat exchanger electro-dynamic vibrators are used. Experiments were performed at inner Reynolds numbers ranging from 2533 to 9960. The effects of volume flow rate and temperature on heat transfer performance are evaluated. Results demonstrated that heat transfer coefficient increases by increasing vibration level and mass flow rate. The most increase in heat transfer coefficient is 97% which is obtained for the highest vibration level (9 m/s2) in the experiment range.

Dependence of pesticide degradation on sorption: nonequilibrium model and application to soil reactors

NASA Astrophysics Data System (ADS)

Guo, Lei; Jury, William A.; Wagenet, Robert J.; Flury, Markus

2000-04-01

The effect of sorption on degradation of the pesticide 2,4-dichlorophenoxyacetic acid (2,4-D) was studied in a soil amended with various amounts of activated carbon (AC). The relationship between sorption and decay of 2,4-D was analyzed using analytical solutions for equilibrium sorption and to a two-site nonequilibrium adsorption model coupled with two first-order degradation terms for the dissolved and sorbed pesticide, respectively. The sorption parameters in the latter model were determined based on data obtained from batch sorption experiments, while those for degradation were obtained from incubation experiments. The adsorption coefficients, ranging from 0.811 to >315 ml g -1, increased at higher AC, and were negatively related to degradation as measured by the first-order rate constant, implying that degradation is faster from the liquid phase than from the sorbed phase. A nonlinear fit of the decay curves to the nonequilibrium model revealed that degradation rate constants were 0.157 and 0.00243 day -1 for the liquid and sorbed phases, respectively, differing by a factor of 65. Similar results were also obtained using the equilibrium model. A parameter sensitivity analysis of the nonequilibrium model indicates that nonequilibrium sorption will initially favor degradation; however, over the long term, will decrease degradation when desorption kinetics becomes the limiting factor in the degradation process. In the presence of a lag phase that allows appreciable amounts of chemical to diffuse into kinetic sorption sites, nonequilibrium sorption will only impede degradation.

Anisotropic Brownian motion in ordered phases of DNA fragments.

PubMed

Dobrindt, J; Rodrigo Teixeira da Silva, E; Alves, C; Oliveira, C L P; Nallet, F; Andreoli de Oliveira, E; Navailles, L

2012-01-01

Using Fluorescence Recovery After Photobleaching, we investigate the Brownian motion of DNA rod-like fragments in two distinct anisotropic phases with a local nematic symmetry. The height of the measurement volume ensures the averaging of the anisotropy of the in-plane diffusive motion parallel or perpendicular to the local nematic director in aligned domains. Still, as shown in using a model specifically designed to handle such a situation and predicting a non-Gaussian shape for the bleached spot as fluorescence recovery proceeds, the two distinct diffusion coefficients of the DNA particles can be retrieved from data analysis. In the first system investigated (a ternary DNA-lipid lamellar complex), the magnitude and anisotropy of the diffusion coefficient of the DNA fragments confined by the lipid bilayers are obtained for the first time. In the second, binary DNA-solvent system, the magnitude of the diffusion coefficient is found to decrease markedly as DNA concentration is increased from isotropic to cholesteric phase. In addition, the diffusion coefficient anisotropy measured within cholesteric domains in the phase coexistence region increases with concentration, and eventually reaches a high value in the cholesteric phase.

Thermodynamic variables of first-order entropy corrected Lovelock-AdS black holes: P{-}V criticality analysis

NASA Astrophysics Data System (ADS)

Haldar, Amritendu; Biswas, Ritabrata

2018-06-01

We investigate the effect of thermal fluctuations on the thermodynamics of a Lovelock-AdS black hole. Taking the first order logarithmic correction term in entropy we analyze the thermodynamic potentials like Helmholtz free energy, enthalpy and Gibbs free energy. We find that all the thermodynamic potentials are decreasing functions of correction coefficient α . We also examined this correction coefficient must be positive by analysing P{-}V diagram. Further we study the P{-}V criticality and stability and find that presence of logarithmic correction in it is necessary to have critical points and stable phases. When P{-}V criticality appears, we calculate the critical volume V_c, critical pressure P_c and critical temperature T_c using different equations and show that there is no critical point for this black hole without thermal fluctuations. We also study the geometrothermodynamics of this kind of black holes. The Ricci scalar of the Ruppeiner metric is graphically analysed.

The near-Earth magnetic field at 1980 determined from MAGSAT data

NASA Technical Reports Server (NTRS)

Langel, R. A.; Estes, R. H.

1984-01-01

Data from the MAGSAT spacecraft for November 1979 through April 1980 and from 91 magnetic observatories for 1978 through 1982 are used to derive a spherical harmonic model of the Earth's main magnetic field and its secular variation. Constant coefficients are determined through degree and order 13 and secular variation coefficients through degree and order 10. The first degree external terms and corresponding induced internal terms are given as a function of Dst. Preliminary modeling using separate data sets at dawn and dusk local time showed that the dusk data contains a substantial field contribution from the equatorial electrojet current. The final data set is selected first from dawn data and then augmented by dusk data to achieve a good geographic data distribution for each of three time periods: (1) November/December, 1979; (2) January/February; 1980; (3) March/April, 1980. A correction for the effects of the equatorial electrojet is applied to the dusk data utilized. The solution included calculation of fixed biases, or anomalies, for the observation data.

The near-earth magnetic field at 1980 determined from Magsat data

NASA Technical Reports Server (NTRS)

Langel, R. A.; Estes, R. H.

1985-01-01

Data from the Magsat spacecraft for November 1979 through April 1980 and from 91 magnetic observatories for 1978 through 1982 are used to derive a spherical harmonic model of the earth's main magnetic field and its secular variation. Constant coefficients are determined through degree and order 13 and secular variation coefficients through degree and order 10. The first degree external terms and corresponding induced internal terms are given as a function of Dst. Preliminary modeling using separate data sets at dawn and dusk local time showed that the dusk data contains a substantial field contribution from the equatorial electrojet current. The final data set is selected first from dawn data and then augmented by dusk data to achieve a good geographic data distribution for each of three time periods: (1) November/December, 1979; (2) January/February, 1980; (3) March/April, 1980. A correction for the effects of the equatorial electrojet is applied to the dusk data utilized. The solution included calculation of fixed biases, or anomalies, for the observation data.

Rate and reaction probability of the surface reaction between ozone and dihydromyrcenol measured in a bench scale reactor and a room-sized chamber

NASA Astrophysics Data System (ADS)

Shu, Shi; Morrison, Glenn C.

2012-02-01

Low volatility terpenoids emitted from consumer products can react with ozone on surfaces and may significantly alter concentrations of ozone, terpenoids and reaction products in indoor air. We measured the reaction probability and a second-order surface-specific reaction rate for the ozonation of dihydromyrcenol, a representative indoor terpenoid, adsorbed onto polyvinylchloride (PVC), glass, and latex paint coated spheres. The reaction probability ranged from (0.06-8.97) × 10 -5 and was very sensitive to humidity, substrate and mass adsorbed. The average surface reaction probability is about 10 times greater than that for the gas-phase reaction. The second-order surface-specific rate coefficient ranged from (0.32-7.05) × 10 -15 cm 4 s -1 molecule -1and was much less sensitive to humidity, substrate, or mass adsorbed. We also measured the ozone deposition velocity due to adsorbed dihydromyrcenol on painted drywall in a room-sized chamber, Based on that, we calculated the rate coefficient ((0.42-1.6) × 10 -15 cm 4 molecule -1 s -1), which was consistent with that derived from bench-scale experiments for the latex paint under similar conditions. We predict that more than 95% of dihydromyrcenol oxidation takes place on indoor surfaces, rather than in building air.

Extending High-Order Flux Operators on Spherical Icosahedral Grids and Their Applications in the Framework of a Shallow Water Model

NASA Astrophysics Data System (ADS)

Zhang, Yi

2018-01-01

This study extends a set of unstructured third/fourth-order flux operators on spherical icosahedral grids from two perspectives. First, the fifth-order and sixth-order flux operators of this kind are further extended, and the nominally second-order to sixth-order operators are then compared based on the solid body rotation and deformational flow tests. Results show that increasing the nominal order generally leads to smaller absolute errors. Overall, the standard fifth-order scheme generates the smallest errors in limited and unlimited tests, although it does not enhance the convergence rate. Even-order operators show higher limiter sensitivity than the odd-order operators. Second, a triangular version of these high-order operators is repurposed for transporting the potential vorticity in a space-time-split shallow water framework. Results show that a class of nominally third-order upwind-biased operators generates better results than second-order and fourth-order counterparts. The increase of the potential enstrophy over time is suppressed owing to the damping effect. The grid-scale noise in the vorticity is largely alleviated, and the total energy remains conserved. Moreover, models using high-order operators show smaller numerical errors in the vorticity field because of a more accurate representation of the nonlinear Coriolis term. This improvement is especially evident in the Rossby-Haurwitz wave test, in which the fluid is highly rotating. Overall, high-order flux operators with higher damping coefficients, which essentially behave like the Anticipated Potential Vorticity Method, present better results.

How to compare cross-lagged associations in a multilevel autoregressive model.

PubMed

Schuurman, Noémi K; Ferrer, Emilio; de Boer-Sonnenschein, Mieke; Hamaker, Ellen L

2016-06-01

By modeling variables over time it is possible to investigate the Granger-causal cross-lagged associations between variables. By comparing the standardized cross-lagged coefficients, the relative strength of these associations can be evaluated in order to determine important driving forces in the dynamic system. The aim of this study was twofold: first, to illustrate the added value of a multilevel multivariate autoregressive modeling approach for investigating these associations over more traditional techniques; and second, to discuss how the coefficients of the multilevel autoregressive model should be standardized for comparing the strength of the cross-lagged associations. The hierarchical structure of multilevel multivariate autoregressive models complicates standardization, because subject-based statistics or group-based statistics can be used to standardize the coefficients, and each method may result in different conclusions. We argue that in order to make a meaningful comparison of the strength of the cross-lagged associations, the coefficients should be standardized within persons. We further illustrate the bivariate multilevel autoregressive model and the standardization of the coefficients, and we show that disregarding individual differences in dynamics can prove misleading, by means of an empirical example on experienced competence and exhaustion in persons diagnosed with burnout. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Evaporation Kinetics of Polyol Droplets: Determination of Evaporation Coefficients and Diffusion Constants

NASA Astrophysics Data System (ADS)

Su, Yong-Yang; Marsh, Aleksandra; Haddrell, Allen E.; Li, Zhi-Ming; Reid, Jonathan P.

2017-11-01

In order to quantify the kinetics of mass transfer between the gas and condensed phases in aerosol, physicochemical properties of the gas and condensed phases and kinetic parameters (mass/thermal accommodation coefficients) are crucial for estimating mass fluxes over a wide size range from the free molecule to continuum regimes. In this study, we report measurements of the evaporation kinetics of droplets of 1-butanol, ethylene glycol (EG), diethylene glycol (DEG), and glycerol under well-controlled conditions (gas flow rates and temperature) using the previously developed cylindrical electrode electrodynamic balance technique. Measurements are compared with a model that captures the heat and mass transfer occurring at the evaporating droplet surface. The aim of these measurements is to clarify the discrepancy in the reported values of mass accommodation coefficient (αM, equals to evaporation coefficient based on microscopic reversibility) for 1-butanol, EG, and DEG and improve the accuracy of the value of the diffusion coefficient for glycerol in gaseous nitrogen. The uncertainties in the thermophysical and experimental parameters are carefully assessed, the literature values of the vapor pressures of these components are evaluated, and the plausible ranges of the evaporation coefficients for 1-butanol, EG, and DEG as well as uncertainty in diffusion coefficient for glycerol are reported. Results show that αM should be greater than 0.4, 0.2, and 0.4 for EG, DEG, and 1-butanol, respectively. The refined values are helpful for accurate prediction of the evaporation/condensation rates.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Hang, E-mail: hangchen@mit.edu; Thill, Peter; Cao, Jianshu

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

Towards a bootstrap approach to higher orders of epsilon expansion

NASA Astrophysics Data System (ADS)

Dey, Parijat; Kaviraj, Apratim

2018-02-01

We employ a hybrid approach in determining the anomalous dimension and OPE coefficient of higher spin operators in the Wilson-Fisher theory. First we do a large spin analysis for CFT data where we use results obtained from the usual and the Mellin bootstrap and also from Feynman diagram literature. This gives new predictions at O( ɛ 4) and O( ɛ 5) for anomalous dimensions and OPE coefficients, and also provides a cross-check for the results from Mellin bootstrap. These higher orders get contributions from all higher spin operators in the crossed channel. We also use the bootstrap in Mellin space method for ϕ 3 in d = 6 - ɛ CFT where we calculate general higher spin OPE data. We demonstrate a higher loop order calculation in this approach by summing over contributions from higher spin operators of the crossed channel in the same spirit as before.

Fluctuating Navier-Stokes equations for inelastic hard spheres or disks.

PubMed

Brey, J Javier; Maynar, P; de Soria, M I García

2011-04-01

Starting from the fluctuating Boltzmann equation for smooth inelastic hard spheres or disks, closed equations for the fluctuating hydrodynamic fields to Navier-Stokes order are derived. This requires deriving constitutive relations for both the fluctuating fluxes and the correlations of the random forces. The former are identified as having the same form as the macroscopic average fluxes and involving the same transport coefficients. On the other hand, the random force terms exhibit two peculiarities as compared with their elastic limit for molecular systems. First, they are not white but have some finite relaxation time. Second, their amplitude is not determined by the macroscopic transport coefficients but involves new coefficients. ©2011 American Physical Society

The empirical Gaia G-band extinction coefficient

NASA Astrophysics Data System (ADS)

Danielski, C.; Babusiaux, C.; Ruiz-Dern, L.; Sartoretti, P.; Arenou, F.

2018-06-01

Context. The first Gaia data release unlocked the access to photometric information for 1.1 billion sources in the G-band. Yet, given the high level of degeneracy between extinction and spectral energy distribution for large passbands such as the Gaia G-band, a correction for the interstellar reddening is needed in order to exploit Gaia data. Aims: The purpose of this manuscript is to provide the empirical estimation of the Gaia G-band extinction coefficient kG for both the red giants and main sequence stars in order to be able to exploit the first data release DR1. Methods: We selected two samples of single stars: one for the red giants and one for the main sequence. Both samples are the result of a cross-match between Gaia DR1 and 2MASS catalogues; they consist of high-quality photometry in the G-, J- and KS-bands. These samples were complemented by temperature and metallicity information retrieved from APOGEE DR13 and LAMOST DR2 surveys, respectively. We implemented a Markov chain Monte Carlo method where we used (G - KS)0 versus Teff and (J - KS)0 versus (G - KS)0, calibration relations to estimate the extinction coefficient kG and we quantify its corresponding confidence interval via bootstrap resampling. We tested our method on samples of red giants and main sequence stars, finding consistent solutions. Results: We present here the determination of the Gaia extinction coefficient through a completely empirical method. Furthermore we provide the scientific community with a formula for measuring the extinction coefficient as a function of stellar effective temperature, the intrinsic colour (G - KS)0, and absorption.

Assessment of pesticides removal using two-stage Integrated Aerobic Treatment Plant (IATP) by Bacillus sp. isolated from agricultural field.

PubMed

Geed, S R; Shrirame, B S; Singh, R S; Rai, B N

2017-10-01

The biodegradation of synthetic wastewater containing Atrazine, Malathion and Parathion was studied in two stage Integrated Aerobic Treatment Plant using Bacillus sp. (consortia) isolated from agricultural field. The influent stream containing these pesticides with initial COD of 1232mg/L were fed to first reactor and treated effluent of first reactor was fed to second reactor. The maximum removal of pesticides in IATP was found to be greater than 90%. The various process parameters such as pH, DO, Redox potential and BOD 5 /COD were monitored during the treatment. The degradation of pesticides and its metabolites in the treated effluent were confirmed by GC-MS. Kinetic parameters such as first order rate constant (K obs ), cell yield (Y X/C ) and decay coefficients (K dp ) were evaluated and found to be 0.00425 per hr, 0.696mg of COD/mg MLSS and 0.0010 per hr respectively. This integrated process was found more effective than physico-chemical treatment of pesticides. Copyright © 2017 Elsevier Ltd. All rights reserved.

Comparison of Measures of Predictive Power.

ERIC Educational Resources Information Center

Tarling, Roger

1982-01-01

The Mean Cost Rating, P(A) from Signal Detection Theory, Kendall's rank correlation coefficient tau, and Goodman and Kruskal's gamma measures of predictive power are compared and shown to be different transformations of the statistic S. Gamma is generally preferred for hypothesis testing. Measures of association for ordered contingency tables are…

The Texas saltwater angler population: a longitudinal perspective (1989-2005)

Treesearch

Yung-Ping (Emilio) Tseng; Robert B. Ditton

2007-01-01

This paper focuses on selected human dimensions indicators of the Texas recreational fishery using the Index of Qualitative Variation (IQV) and Spearman Rank-Order Correlation Coefficient. Minority (Hispanic, Spanish, and females) participation and the overall participation rate in saltwater fishing did not keep pace with a dramatic population...

Radical Recombination Kinetics: An Experiment in Physical Organic Chemistry.

ERIC Educational Resources Information Center

Pickering, Miles

1980-01-01

Describes a student kinetic experiment involving second order kinetics as well as displaying photochromism using a wide variety of techniques from both physical and organic chemistry. Describes measurement of (1) the rate of the recombination reaction; (2) the extinction coefficient; and (3) the ESR spectrometer signal. (Author/JN)

New rate coefficients of CS in collision with para- and ortho-H2 and astrophysical implications

NASA Astrophysics Data System (ADS)

Denis-Alpizar, Otoniel; Stoecklin, Thierry; Guilloteau, Stéphane; Dutrey, Anne

2018-05-01

Astronomers use the CS molecule as a gas mass tracer in dense regions of the interstellar medium, either to measure the gas density through multi-line observations or the level of turbulence. This necessarily requires the knowledge of the rates coefficients with the most common colliders in the interstellar medium, He and H2. In the present work, the close coupling collisional rates are computed for the first thirty rotational states of CS in collision with para- and ortho-H2 using a recent rigid rotor potential energy surface. Some radiative transfer calculations, using typical astrophysical conditions, are also performed to test this new set of data and to compare with the existing ones.

Kinetic study of the gas-phase reactions of chlorine atoms with 2-chlorophenol, 2-nitrophenol, and four methyl-2-nitrophenol isomers.

PubMed

Bejan, Iustinian; Duncianu, Marius; Olariu, Romeo; Barnes, Ian; Seakins, Paul W; Wiesen, Peter

2015-05-21

Anthropogenic activities are the main source of nitrophenols and chlorophenols in the atmosphere. Nitro and chlorophenols have a high potential to form ozone and secondary organic aerosol, thus investigations on the major photo oxidation pathways of these compounds are important to assess their contribution to urban air pollution and human health. Presented here are rate coefficients determined at atmospheric pressure and (298 ± 2) K using a relative kinetic method for the reactions of chlorine atoms with 2-chlorophenol (2ClP), 2-nitrophenol (2NP) and four methyl-2-nitrophenol (2-nitrocresol, nM2NP (n = 3,4,5,6)) isomers. The following rate coefficients (in units of cm(3) molecule(-1) s(-1)) have been obtained: (5.9 ± 1.5) × 10(-12) for 2ClP, (6.8 ± 2.3) × 10(-12) for 2NP, and (14.0 ± 4.9) × 10(-11), (4.3 ± 1.5) × 10(-11), (1.94 ± 0.67) × 10(-11) and (2.68 ± 0.75) × 10(-11) for the four methyl-2-nitrophenol isomers 3M2NP, 4M2NP, 5M2NP, and 6M2NP, respectively. This study represents the first kinetic investigation for the reaction of chlorine atoms with all the nitrophenols. In addition, to assist in the interpretation of the results, rate coefficients for the reactions of Cl atoms with the cresol ortho, meta, and para isomers have been determined for the first time. The rate coefficient for the reaction with 2ClP is in good agreement with previous data and the relative reactivity of 2NP, 4M2NP, 5M2NP, and 6M2NP can be rationalized based on known substituent effects. The rate coefficient for 3M2NP is anomalously large; the observation of significant NO2 production in only this reaction suggests that an ipso substitution mechanism is the cause of the enhanced reactivity.

Physiotherapist agreement when visually rating movement quality during lower extremity functional screening tests.

PubMed

Whatman, Chris; Hing, Wayne; Hume, Patria

2012-05-01

To investigate physiotherapist agreement in rating movement quality during lower extremity functional tests using two visual rating methods and physiotherapists with differing clinical experience. Clinical measurement. Six healthy individuals were rated by 44 physiotherapists. These raters were in three groups (inexperienced, novice, experienced). Video recordings of all six individuals performing four lower extremity functional tests were visually rated (dichotomous or ordinal scale) using two rating methods (overall or segment) on two occasions separated by 3-4 weeks. Intra and inter-rater agreement for physiotherapists was determined using overall percentage agreement (OPA) and the first order agreement coefficient (AC1). Intra-rater agreement for overall and segment methods ranged from slight to almost perfect (OPA: 29-96%, AC1: 0.01 to 0.96). AC1 agreement was better in the experienced group (84-99% likelihood) and for dichotomous rating (97-100% likelihood). Inter-rater agreement ranged from fair to good (OPA: 45-79%; AC1: 0.22-0.71). AC1 agreement was not influenced by clinical experience but was again better using dichotomous rating. Physiotherapists' visual rating of movement quality during lower extremity functional tests resulted in slight to almost perfect intra-rater agreement and fair to good inter-rater agreement. Agreement improved with increased level of clinical experience and use of dichotomous rating. Copyright © 2011 Elsevier Ltd. All rights reserved.

Chemical transformation of 3-bromo-2,2-bis(bromomethyl)-propanol under basic conditions.

PubMed

Ezra, Shai; Feinstein, Shimon; Bilkis, Itzhak; Adar, Eilon; Ganor, Jiwchar

2005-01-15

The mechanism of the spontaneous decomposition of 3-bromo-2,2-bis(bromomethyl)propanol (TBNPA) and the kinetics of the reaction of the parent compound and two subsequent products were determined in aqueous solution at temperatures from 30 to 70 degrees C and pH from 7.0 to 9.5. TBNPA is decomposed by a sequence of reactions that form 3,3-bis(bromomethyl)oxetane (BBMO), 3-bromomethyl-3-hydroxymethyloxetane (BMHMO), and 2,6-dioxaspiro[3.3]-heptane (DOH), releasing one bromide ion at each stage. The pseudo-first-order rate constant of the decomposition of TBNPA increases linearlywith the pH. The apparent activation energy of this transformation (98+/-2 KJ/mol) was calculated from the change of the effective second-order rate constant with temperature. The pseudoactivation energies of BBMO and BMHMO were estimated to be 109 and 151 KJ/mol, respectively. Good agreement was found between the rate coefficients derived from changes in the organic molecules concentrations and those determined from the changes in the Br- concentrations. TBNPA is the most abundant semivolatile organic pollutant in the aquitard studied, and together with its byproducts they posess an environmental hazard. TBNPA half-life is estimated to be about 100 years. This implies that high concentrations of TBNPA will persist in the aquifer long after the elimination of all its sources.

Simultaneous estimation of multiple phases in digital holographic interferometry using state space analysis

NASA Astrophysics Data System (ADS)

Kulkarni, Rishikesh; Rastogi, Pramod

2018-05-01

A new approach is proposed for the multiple phase estimation from a multicomponent exponential phase signal recorded in multi-beam digital holographic interferometry. It is capable of providing multidimensional measurements in a simultaneous manner from a single recording of the exponential phase signal encoding multiple phases. Each phase within a small window around each pixel is appproximated with a first order polynomial function of spatial coordinates. The problem of accurate estimation of polynomial coefficients, and in turn the unwrapped phases, is formulated as a state space analysis wherein the coefficients and signal amplitudes are set as the elements of a state vector. The state estimation is performed using the extended Kalman filter. An amplitude discrimination criterion is utilized in order to unambiguously estimate the coefficients associated with the individual signal components. The performance of proposed method is stable over a wide range of the ratio of signal amplitudes. The pixelwise phase estimation approach of the proposed method allows it to handle the fringe patterns that may contain invalid regions.

Classification of speech dysfluencies using LPC based parameterization techniques.

PubMed

Hariharan, M; Chee, Lim Sin; Ai, Ooi Chia; Yaacob, Sazali

2012-06-01

The goal of this paper is to discuss and compare three feature extraction methods: Linear Predictive Coefficients (LPC), Linear Prediction Cepstral Coefficients (LPCC) and Weighted Linear Prediction Cepstral Coefficients (WLPCC) for recognizing the stuttered events. Speech samples from the University College London Archive of Stuttered Speech (UCLASS) were used for our analysis. The stuttered events were identified through manual segmentation and were used for feature extraction. Two simple classifiers namely, k-nearest neighbour (kNN) and Linear Discriminant Analysis (LDA) were employed for speech dysfluencies classification. Conventional validation method was used for testing the reliability of the classifier results. The study on the effect of different frame length, percentage of overlapping, value of ã in a first order pre-emphasizer and different order p were discussed. The speech dysfluencies classification accuracy was found to be improved by applying statistical normalization before feature extraction. The experimental investigation elucidated LPC, LPCC and WLPCC features can be used for identifying the stuttered events and WLPCC features slightly outperforms LPCC features and LPC features.

Optical design of athermal, multispectral, radial GRIN lenses

NASA Astrophysics Data System (ADS)

Boyd, Andrew M.

2017-05-01

Military infrared systems generally must exhibit stable optical performance over a wide operating temperature range. We present a model for the first-order optical design of radial gradient-index systems, based on a form of the thermo-optic glass coefficient adapted to inhomogeneous material combinations. We find that GRIN components can significantly reduce the optical power balance of athermal, achromatic systems, which introduces the scope for a new class of broadband infrared imaging solutions. This novel first-order modelling technique is used to generate a starting point for optimisation of a SWIR/LWIR multispectral optical design.

Measuring the flexoelectric coefficient of bulk barium titanate from a shock wave experiment

NASA Astrophysics Data System (ADS)

Hu, Taotao; Deng, Qian; Liang, Xu; Shen, Shengping

2017-08-01

In this paper, a phenomenon of polarization introduced by shock waves is experimentally studied. Although this phenomenon has been reported previously in the community of physics, this is the first time to link it to flexoelectricity, the coupling between electric polarization and strain gradients in dielectrics. As the shock waves propagate in a dielectric material, electric polarization is thought to be induced by the strain gradient at the shock front. First, we control the first-order hydrogen gas gun to impact and generate shock waves in unpolarized bulk barium titanate (BT) samples. Then, a high-precision oscilloscope is used to measure the voltage generated by the flexoelectric effect. Based on experimental results, strain elastic wave theory, and flexoelectric theory, a longitudinal flexoelectric coefficient of the bulk BT sample is calculated to be μ 11 = 17.33 × 10 - 6 C/m, which is in accord with the published transverse flexoelectric coefficient. This method effectively suppresses the majority of drawbacks in the quasi-static and low frequency dynamic techniques and provides more reliable results of flexoelectric behaviors.

Calibrating reaction rates for the CREST model

NASA Astrophysics Data System (ADS)

Handley, Caroline A.; Christie, Michael A.

2017-01-01

The CREST reactive-burn model uses entropy-dependent reaction rates that, until now, have been manually tuned to fit shock-initiation and detonation data in hydrocode simulations. This paper describes the initial development of an automatic method for calibrating CREST reaction-rate coefficients, using particle swarm optimisation. The automatic method is applied to EDC32, to help develop the first CREST model for this conventional high explosive.

Vacuum Cherenkov radiation for Lorentz-violating fermions

NASA Astrophysics Data System (ADS)

Schreck, M.

2017-11-01

The current work focuses on the process of vacuum Cherenkov radiation for Lorentz-violating fermions that are described by the minimal standard-model extension (SME). To date, most considerations of this important hypothetical process have been restricted to Lorentz-violating photons, as the necessary theoretical tools for the SME fermion sector have not been available. With their development in a very recent paper, we are now in a position to compute the decay rates based on a modified Dirac theory. Two realizations of the Cherenkov process are studied. In the first scenario, the spin projection of the incoming fermion is assumed to be conserved, and in the second, the spin projection is allowed to flip. The first type of process is shown to be still forbidden for the dimensionful a and b coefficients where there are strong indications that it is energetically disallowed for the H coefficients, as well. However, it is rendered possible for the dimensionless c , d , e , f , and g coefficients. For large initial fermion energies, the decay rates for the c and d coefficients were found to grow linearly with momentum and to be linearly suppressed by the smallness of the Lorentz-violating coefficient where for the e , f , and g coefficients this suppression is even quadratic. The decay rates vanish in the vicinity of the threshold, as expected. The decay including a fermion spin-flip plays a role for the spin-nondegenerate operators and it was found to occur for the dimensionful b and H coefficients as well as for the dimensionless d and g . The characteristics of this process differ much from the properties of the spin-conserving one, e.g., there is no threshold. Based on experimental data of ultra-high-energy cosmic rays, new constraints on Lorentz violation in the quark sector are obtained from the thresholds. However, it does not seem to be possible to derive bounds from the spin-flip decays. This work reveals the usefulness of the quantum field theoretic methods recently developed to study the phenomenology of high-energy fermions within the framework of the SME.

Consanguineous marriages in Afghanistan.

PubMed

Saify, Khyber; Saadat, Mostafa

2012-01-01

The present cross-sectional study was done in order to illustrate the prevalence and types of consanguineous marriages among Afghanistan populations. Data on types of marriages were collected using a simple questionnaire. The total number of couples in the study was 7140 from the following provinces: Badakhshan, Baghlan, Balkh, Bamyan, Kabul, Kunduz, Samangan and Takhar. Consanguineous marriages were classified by the degree of relationship between couples: double first cousins, first cousins, first cousins once removed, second cousins and beyond second cousins. The coefficient of inbreeding (F) was calculated for each couple and the mean coefficient of inbreeding (α) estimated for each population. The proportion of consanguineous marriages in the country was 46.2%, ranging from 38.2% in Kabul province to 51.2% in Bamyan province. The equivalent mean inbreeding coefficient (α) was 0.0277, and ranged from 0.0221 to 0.0293 in these two regions. There were significant differences between provinces for frequencies of different types of marriages (p<0.001). First cousin marriages (27.8%) were the most common type of consanguineous marriages, followed by double first cousin (6.9%), second cousin (5.8%), beyond second cousin (3.9%) and first cousin once removed (1.8%). There were significant differences between ethnic groups for the types of marriages (χ2=177.6, df=25, p<0.001). Tajiks (Soni) and Turkmens (also Pashtuns) showed the lowest (α=0.0250) and highest (α=0.0297) mean inbreeding coefficients, respectively, among the ethnic groups in Afghanistan. The study shows that Afghanistan's populations, like other Islamic populations, have a high level of consanguinity.

Using the Benford's Law as a First Step to Assess the Quality of the Cancer Registry Data.

PubMed

Crocetti, Emanuele; Randi, Giorgia

2016-01-01

Benford's law states that the distribution of the first digit different from 0 [first significant digit (FSD)] in many collections of numbers is not uniform. The aim of this study is to evaluate whether population-based cancer incidence rates follow Benford's law, and if this can be used in their data quality check process. We sampled 43 population-based cancer registry populations (CRPs) from the Cancer Incidence in 5 Continents-volume X (CI5-X). The distribution of cancer incidence rate FSD was evaluated overall, by sex, and by CRP. Several statistics, including Pearson's coefficient of correlation and distance measures, were applied to check the adherence to the Benford's law. In the whole dataset (146,590 incidence rates) and for each sex (70,722 male and 75,868 female incidence rates), the FSD distributions were Benford-like. The coefficient of correlation between observed and expected FSD distributions was extremely high (0.999), and the distance measures low. Considering single CRP (from 933 to 7,222 incidence rates), the results were in agreement with the Benford's law, and only a few CRPs showed possible discrepancies from it. This study demonstrated for the first time that cancer incidence rates follow Benford's law. This characteristic can be used as a new, simple, and objective tool in data quality evaluation. The analyzed data had been already checked for publication in CI5-X. Therefore, their quality was expected to be good. In fact, only for a few CRPs several statistics were consistent with possible violations.

[Degradation Characteristics of Three Aniline Compounds in Simulated Aerobic Sewage Treat System].

PubMed

Gu, Wen; Zhou, Lin-jun; Liu, Ji-ning; Chen, Guo-song; Shi, Li-li; Xu, Yan-hua

2016-01-15

The removal rates of 4-nitroaniline, 4-isopropyl aniline and 2-chloro-4-nitroaniline under different hydraulic retention time (HRT) were tested by employing a simulation method of aerobic biochemical sewage treatment technology in this study. The results showed that when HRT was 6 h, 12 h, and 24 h, the removal rates of dissolved organic carbon (DOC) were 70.2%, 80.3% and 88.3%, the removal rates of 4-nitroaniline were 48%, 64.7% and 75%; and the removal rates of 4-isopropyl aniline were 66%, 76% and 91%, respectively. It was concluded that increasing HRT could promote the removal rates of DOC and aniline chemicals. In contrast, 2-chloro-4-nitroaniline was difficult to be removed. The removal rates were less than 20% under all tested conditions. The kinetics analysis showed that the biodegradation of 4-nitroaniline, 4-isopropyl aniline and 2-chloro-4-nitroaniline in aerobic activated sewage (3 g x L(-1)) accorded with the first order kinetics and the regression coefficients were > 0.95. The half-life time of biodegradation was 6.01 h, 16.16 h, 123.75 h, respectively. In general, functional groups such as isopropyl had a positive effect on the biodegradation of aniline chemicals, whereas substituents such as nitro group and chlorine atom had an inhibitory effect.

Retro-regression--another important multivariate regression improvement.

PubMed

Randić, M

2001-01-01

We review the serious problem associated with instabilities of the coefficients of regression equations, referred to as the MRA (multivariate regression analysis) "nightmare of the first kind". This is manifested when in a stepwise regression a descriptor is included or excluded from a regression. The consequence is an unpredictable change of the coefficients of the descriptors that remain in the regression equation. We follow with consideration of an even more serious problem, referred to as the MRA "nightmare of the second kind", arising when optimal descriptors are selected from a large pool of descriptors. This process typically causes at different steps of the stepwise regression a replacement of several previously used descriptors by new ones. We describe a procedure that resolves these difficulties. The approach is illustrated on boiling points of nonanes which are considered (1) by using an ordered connectivity basis; (2) by using an ordering resulting from application of greedy algorithm; and (3) by using an ordering derived from an exhaustive search for optimal descriptors. A novel variant of multiple regression analysis, called retro-regression (RR), is outlined showing how it resolves the ambiguities associated with both "nightmares" of the first and the second kind of MRA.

Association of Health and Food Expenditures Inequality With Health Outcomes: A Case Study on Iranian Rural Households

PubMed Central

Naghdi, Seyran; Ghiasvand, Hesam; Shaarbafchi Zadeh, Nasrin; Azami, Saeidreza; Moradi, Tayebeh

2014-01-01

Background: Inequality in households’ and individuals' consumption expenditures is one of the most important aspects of health status difference among households and individuals. Objectives: We investigated the impact of some macro-economic factors specially inequality factors on the Iranian rural health status since 1986 through 2012. Patients and Methods: We conducted a longitudinal ecological and analytical study. The average sample size was 14602 households whom Iranian Statistics Center selected by a multi-stages clustering sampling approach. All required data has been collected from Iranian Statistics Centre and Deputy for Curial Affaires of Iranian Ministry of Health. We calculated the Gini coefficients for the rural food and health expenditures, then conducted a transloge autoregressive order one (AR1) to investigate the association between the Iranian rural households' key mortality rates and the food and health expenditure Gini coefficients, time trend, GDP per capita (PPP), and GDP per capita Gini coefficients. Results: The mean of Gini coefficients were 0.137 and 0.21 for the rural food expenditures inequality based on current and constant price, respectively. In addition, the mean of Gini coefficients were 0.26 and 0.31 for the rural health expenditures inequality based on current and constant price, respectively. The time trend, transloged form of Gini coefficients for health expenditures and GDP per capita Gini coefficients presented a significant negative correlation with transloged form of neonatal mortality rate. With regard to the transloged form of under five mortality we observed a significant negative correlation with time trend and transloged form of Gini coefficients for health expenditure and GDP per capita. Finally, there was a significant negative correlation between transloged forms of maternal mortality rate. Conclusions: Iranian policy makers should consider the rural health and food expenditures inequality and try to adopt more effective policies and plans to decrease it. In addition, they should improve the macro-economic factors to improve the rural households' health status. PMID:24829771

A direct numerical simulation-based re-examination of coefficients in the pressure-strain models in second-moment closures

NASA Astrophysics Data System (ADS)

Jakirlić, S.; Hanjalić, K.

2013-10-01

The most challenging task in closing the Reynolds-averaged Navier-Stokes equations at the second-moment closure (SMC) level is to model the pressure-rate-of-strain correlation in the transport equation for the Reynolds-stress tensor. The accurate modelling of this term, commonly denoted as Φij, is the key prerequisite for the correct capturing of the stress anisotropy, which potentially gives SMCs a decisive advantage over the ‘anisotropy-blind’ eddy-viscosity models. A variety of models for Φij proposed in the literature can all be expressed as a function of the stress-anisotropy-, rate-of-strain- and rate-of-rotation second-rank tensors, so that the modelling task is reduced to determining the model coefficients. It is, thus, the coefficients, associated with various terms in the expression, which differ from one model to another. The model coefficients have been traditionally determined with reference to the available data for sets of generic flows while being forced to satisfying the known values at flow boundaries. We evaluated the coefficients up to the second-order terms (in stress-anisotropy aij) directly from the DNS database for Φij and the turbulence variables involved in its modelling. The variations of the coefficients across the flow in a plane channel over a range of Reynolds numbers are compared with several popular models. The analysis provided a reasonable support for the common tensor-expansion representation of both the slow and rapid terms. Apart from the near-wall region and the channel centre, most coefficients for higher Re numbers showed themselves to be reasonably uniform, with the values closest to those proposed by Sarkar et al (1991 J. Fluid Mech. 227 245-72). An illustration of the coefficient variation for the ‘quasi-linear’ model is also presented for flow over a backward-facing step.

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

NASA Technical Reports Server (NTRS)

Leone, Stephen R.

1992-01-01

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

Investor sentiment and stock returns: Evidence from provincial TV audience rating in China

NASA Astrophysics Data System (ADS)

Zhang, Yongjie; Zhang, Yuzhao; Shen, Dehua; Zhang, Wei

2017-01-01

In this paper, we advocate the provincial TV audience rating as the novel proxy for the provincial investor sentiment (PIS) and investigate its relation with stock returns. The empirical results firstly show that the PIS is positively related to stock returns. Secondly, we provide direct evidence on the existence of home bias in China by observing that the provincial correlation coefficient is significantly larger than the cross-provincial correlation coefficient. Finally, the PIS can explain a large proportion of provincial comovement. To sum up, all these findings support the role of the non-traditional information sources in understanding the ;anomalies; in stock market.

Rate coefficients for the reactions of C2(a(3)Pi(u)) and C2(X(1)Sigma(g)(+)) with various hydrocarbons (CH4, C2H2, C2H4, C2H6, and C3H8): a gas-phase experimental study over the temperature range 24-300 K.

PubMed

Páramo, Alejandra; Canosa, André; Le Picard, Sébastien D; Sims, Ian R

2008-10-02

The kinetics of reactions of C2(a(3)Pi(u)) and C2(X(1)Sigma(g)(+)) with various hydrocarbons (CH4, C2H2, C2H4, C2H6, and C3H8) have been studied in a uniform supersonic flow expansion over the temperature range 24-300 K. Rate coefficients have been obtained by using the pulsed laser photolysis-laser induced fluorescence technique, where both radicals were produced at the same time but detected separately. The reactivity of the triplet state was found to be significantly lower than that of the singlet ground state for all reactants over the whole temperature range of the study. Whereas C2(X(1)Sigma(g)(+)) reacts with a rate coefficient close to the gas kinetic limit with all hydrocarbons studied apart from CH4, C2(a(3)Pi(u)) appears to be more sensitive to the molecular and electronic structure of the reactant partners. The latter reacts at least one order of magnitude faster with unsaturated hydrocarbons than with alkanes, and the rate coefficients increase very significantly with the size of the alkane. Results are briefly discussed in terms of their potential astrophysical impact.

Causal dissipation for the relativistic dynamics of ideal gases

NASA Astrophysics Data System (ADS)

Freistühler, Heinrich; Temple, Blake

2017-05-01

We derive a general class of relativistic dissipation tensors by requiring that, combined with the relativistic Euler equations, they form a second-order system of partial differential equations which is symmetric hyperbolic in a second-order sense when written in the natural Godunov variables that make the Euler equations symmetric hyperbolic in the first-order sense. We show that this class contains a unique element representing a causal formulation of relativistic dissipative fluid dynamics which (i) is equivalent to the classical descriptions by Eckart and Landau to first order in the coefficients of viscosity and heat conduction and (ii) has its signal speeds bounded sharply by the speed of light. Based on these properties, we propose this system as a natural candidate for the relativistic counterpart of the classical Navier-Stokes equations.

Causal dissipation for the relativistic dynamics of ideal gases

PubMed Central

2017-01-01

We derive a general class of relativistic dissipation tensors by requiring that, combined with the relativistic Euler equations, they form a second-order system of partial differential equations which is symmetric hyperbolic in a second-order sense when written in the natural Godunov variables that make the Euler equations symmetric hyperbolic in the first-order sense. We show that this class contains a unique element representing a causal formulation of relativistic dissipative fluid dynamics which (i) is equivalent to the classical descriptions by Eckart and Landau to first order in the coefficients of viscosity and heat conduction and (ii) has its signal speeds bounded sharply by the speed of light. Based on these properties, we propose this system as a natural candidate for the relativistic counterpart of the classical Navier–Stokes equations. PMID:28588397

Causal dissipation for the relativistic dynamics of ideal gases.

PubMed

Freistühler, Heinrich; Temple, Blake

2017-05-01

We derive a general class of relativistic dissipation tensors by requiring that, combined with the relativistic Euler equations, they form a second-order system of partial differential equations which is symmetric hyperbolic in a second-order sense when written in the natural Godunov variables that make the Euler equations symmetric hyperbolic in the first-order sense. We show that this class contains a unique element representing a causal formulation of relativistic dissipative fluid dynamics which (i) is equivalent to the classical descriptions by Eckart and Landau to first order in the coefficients of viscosity and heat conduction and (ii) has its signal speeds bounded sharply by the speed of light. Based on these properties, we propose this system as a natural candidate for the relativistic counterpart of the classical Navier-Stokes equations.

Influence of different types of seals on the stability behavior of turbopumps

NASA Technical Reports Server (NTRS)

Diewald, W.; Nordmann, R.

1989-01-01

One of the main problems in designing a centrifugal pump is to achieve a good efficiency while not neglecting the dynamic performance of the machine. The first aspect leads to the design of grooved seals in order to minimize the leakage flow. But the influence of these grooves to the dynamic behavior is not well known. Experimental and theoretical results of the rotordynamic coefficients for different groove shapes and depths in seals is presented. In addition, the coefficients are applied to a simple pump model.

Active microwave remote sensing of an anisotropic random medium layer

NASA Technical Reports Server (NTRS)

Lee, J. K.; Kong, J. A.

1985-01-01

A two-layer anisotropic random medium model has been developed to study the active remote sensing of the earth. The dyadic Green's function for a two-layer anisotropic medium is developed and used in conjunction with the first-order Born approximation to calculate the backscattering coefficients. It is shown that strong cross-polarization occurs in the single scattering process and is indispensable in the interpretation of radar measurements of sea ice at different frequencies, polarizations, and viewing angles. The effects of anisotropy on the angular responses of backscattering coefficients are also illustrated.

All-optical computation system for solving differential equations based on optical intensity differentiator.

PubMed

Tan, Sisi; Wu, Zhao; Lei, Lei; Hu, Shoujin; Dong, Jianji; Zhang, Xinliang

2013-03-25

We propose and experimentally demonstrate an all-optical differentiator-based computation system used for solving constant-coefficient first-order linear ordinary differential equations. It consists of an all-optical intensity differentiator and a wavelength converter, both based on a semiconductor optical amplifier (SOA) and an optical filter (OF). The equation is solved for various values of the constant-coefficient and two considered input waveforms, namely, super-Gaussian and Gaussian signals. An excellent agreement between the numerical simulation and the experimental results is obtained.

Enskog theory for polydisperse granular mixtures. I. Navier-Stokes order transport.

PubMed

Garzó, Vicente; Dufty, James W; Hrenya, Christine M

2007-09-01

A hydrodynamic description for an s -component mixture of inelastic, smooth hard disks (two dimensions) or spheres (three dimensions) is derived based on the revised Enskog theory for the single-particle velocity distribution functions. In this first part of the two-part series, the macroscopic balance equations for mass, momentum, and energy are derived. Constitutive equations are calculated from exact expressions for the fluxes by a Chapman-Enskog expansion carried out to first order in spatial gradients, thereby resulting in a Navier-Stokes order theory. Within this context of small gradients, the theory is applicable to a wide range of restitution coefficients and densities. The resulting integral-differential equations for the zeroth- and first-order approximations of the distribution functions are given in exact form. An approximate solution to these equations is required for practical purposes in order to cast the constitutive quantities as algebraic functions of the macroscopic variables; this task is described in the companion paper.

PULSAR SIGNAL DENOISING METHOD BASED ON LAPLACE DISTRIBUTION IN NO-SUBSAMPLING WAVELET PACKET DOMAIN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wenbo, Wang; Yanchao, Zhao; Xiangli, Wang

2016-11-01

In order to improve the denoising effect of the pulsar signal, a new denoising method is proposed in the no-subsampling wavelet packet domain based on the local Laplace prior model. First, we count the true noise-free pulsar signal’s wavelet packet coefficient distribution characteristics and construct the true signal wavelet packet coefficients’ Laplace probability density function model. Then, we estimate the denosied wavelet packet coefficients by using the noisy pulsar wavelet coefficients based on maximum a posteriori criteria. Finally, we obtain the denoisied pulsar signal through no-subsampling wavelet packet reconstruction of the estimated coefficients. The experimental results show that the proposed method performs better when calculating the pulsar time of arrival than the translation-invariant wavelet denoising method.

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), respectively. This disagreement is significantly smaller than the disagreement observed when comparing measured and predicted diffusion coefficients of water in sucrose-water mixtures.

Runoff and soil loss under different land management practices in vineyards: grass cover treatments and traditional tillage. Results from simulated rainfall.

NASA Astrophysics Data System (ADS)

Ruiz-Colmenero, Marta; Bienes, Ramon; Marques, Maria-Jose

2010-05-01

Land degradation control is crucial in croplands located in semiarid lands, due to its low soil formation rate, above all in slope fields. This study is located in the South East of Madrid (Spain), in a vineyard at 800 masl under Mediterranean semiarid climatic conditions, with an average slope of 14%. We studied the impact of traditional tillage measuring runoff and soil loss in plots in two critical moments of the vineyard crop: summer with dry soil, and fall when tillage is done in order to facilitate the infiltration of winter rainfalĺs water. Three treatments were tested in nine erosion plots (4m x 0,5m): traditional tillage ("till"); Brachypodium distachyon (L.) ("bra") allowing self-sowing; Secale cereale ("sec"), mown in early spring. Short (15 minutes) but intense (2,16 mm/min) simulated rainfalls were carried out at each plot: The simulated rainfalls made in summer over the vineyard tilled in spring ("till") produced little runoff (41 ml min-1; erosion rate of 0.24 g m-2) and it lasted 6 min from the start of the shower, it was due to the roughness and because the soil was near its wilting point. The low erosion rate is attributable to the sealing of soil after the rains occurred in spring. In treatments with plant cover runoff began earlier, at the 3rd minute. The average runoff was 516 and 730 ml min-1 and erosion rates were 3.04 g m-2 and 1.41 g m-2 in "bra" and "sec" respectively. There were significant differences (F = 31.6, P <0.001) in runoff coefficient between the three treatments with the highest ratio shown in "sec". The average runoff coefficients obtained were 16% in "sec", 13% in "bra" and 1.4% in "till". Moreover two simulated rainfalls were carried out in autumn in order to test the effect of the autumnal traditional tillage. The plant cover treatments were efficient controlling the erosion (sediment yield were in "till"; "sec" and "bra" respectively 2.66, 0. 29, 0. 11 g m-2 in the first simulation, and 11.67, 0.66, 0.14 g m-2 in the second simulation). Before tillage the average runoff coefficient in "till" was 19% (six times higher than in plant cover treatments) probably because of its sealing and compaction due to the lack of plants. After tillage, in spite of the increase of roughness, and on the contrary to obtained in summer, the runoff increases. It is explained by the soil moisture: In the first simulated rainfall, the soil was 72% of its water holding capacity at 10 cm, and 44% at 35 cm soil depth. However, in the second simulated rainfall the surface was completely wet, and at 35 cm it reached the 85% of water holding capacity. Comparing the runoff and erosion behavior in each treatment for both seasons, it is shown that in summer a shallow tillage increases the infiltration significantly. However in autumn, when the soil is wetter, the tillage increases runoff and erosion significantly. This has to be taken into account in order to change traditional uses in steep crops. Keywords: erosion, runoff, simulated rainfall, vineyard, tillage, vegetable cover Aknowledgements: Projects FP06-DR3 IMIDRA and RTA2007-0086 INIA. Predoctoral grant from INIA. Bodegas and Viñedos Gosálbez-Ortí.

Finite-element numerical modeling of atmospheric turbulent boundary layer

NASA Technical Reports Server (NTRS)

Lee, H. N.; Kao, S. K.

1979-01-01

A dynamic turbulent boundary-layer model in the neutral atmosphere is constructed, using a dynamic turbulent equation of the eddy viscosity coefficient for momentum derived from the relationship among the turbulent dissipation rate, the turbulent kinetic energy and the eddy viscosity coefficient, with aid of the turbulent second-order closure scheme. A finite-element technique was used for the numerical integration. In preliminary results, the behavior of the neutral planetary boundary layer agrees well with the available data and with the existing elaborate turbulent models, using a finite-difference scheme. The proposed dynamic formulation of the eddy viscosity coefficient for momentum is particularly attractive and can provide a viable alternative approach to study atmospheric turbulence, diffusion and air pollution.

Voigt equivalent widths and spectral-bin single-line transmittances: Exact expansions and the MODTRAN®5 implementation

NASA Astrophysics Data System (ADS)

Berk, Alexander

2013-03-01

Exact expansions for Voigt line-shape total, line-tail and spectral bin equivalent widths and for Voigt finite spectral bin single-line transmittances have been derived in terms of optical depth dependent exponentially-scaled modified Bessel functions of integer order and optical depth independent Fourier integral coefficients. The series are convergent for the full range of Voigt line-shapes, from pure Doppler to pure Lorentzian. In the Lorentz limit, the expansion reduces to the Ladenburg and Reiche function for the total equivalent width. Analytic expressions are derived for the first 8 Fourier coefficients for pure Lorentzian lines, for pure Doppler lines and for Voigt lines with at most moderate Doppler dependence. A strong-line limit sum rule on the Fourier coefficients is enforced to define an additional Fourier coefficient and to optimize convergence of the truncated expansion. The moderate Doppler dependence scenario is applicable to and has been implemented in the MODTRAN5 atmospheric band model radiative transfer software. Finite-bin transmittances computed with the truncated expansions reduce transmittance residuals compared to the former Rodgers-Williams equivalent width based approach by ∼2 orders of magnitude.

Virial Coefficients and Equations of State for Hard Polyhedron Fluids.

PubMed

Irrgang, M Eric; Engel, Michael; Schultz, Andrew J; Kofke, David A; Glotzer, Sharon C

2017-10-24

Hard polyhedra are a natural extension of the hard sphere model for simple fluids, but there is no general scheme for predicting the effect of shape on thermodynamic properties, even in moderate-density fluids. Only the second virial coefficient is known analytically for general convex shapes, so higher-order equations of state have been elusive. Here we investigate high-precision state functions in the fluid phase of 14 representative polyhedra with different assembly behaviors. We discuss historic efforts in analytically approximating virial coefficients up to B 4 and numerically evaluating them to B 8 . Using virial coefficients as inputs, we show the convergence properties for four equations of state for hard convex bodies. In particular, the exponential approximant of Barlow et al. (J. Chem. Phys. 2012, 137, 204102) is found to be useful up to the first ordering transition for most polyhedra. The convergence behavior we explore can guide choices in expending additional resources for improved estimates. Fluids of arbitrary hard convex bodies are too complicated to be described in a general way at high densities, so the high-precision state data we provide can serve as a reference for future work in calculating state data or as a basis for thermodynamic integration.

Enhancements in Deriving Smoke Emission Coefficients from Fire Radiative Power Measurements

NASA Technical Reports Server (NTRS)

Ellison, Luke; Ichoku, Charles

2011-01-01

Smoke emissions have long been quantified after-the-fact by simple multiplication of burned area, biomass density, fraction of above-ground biomass, and burn efficiency. A new algorithm has been suggested, as described in Ichoku & Kaufman (2005), for use in calculating smoke emissions directly from fire radiative power (FRP) measurements such that the latency and uncertainty associated with the previously listed variables are avoided. Application of this new, simpler and more direct algorithm is automatic, based only on a fire's FRP measurement and a predetermined coefficient of smoke emission for a given location. Attaining accurate coefficients of smoke emission is therefore critical to the success of this algorithm. In the aforementioned paper, an initial effort was made to derive coefficients of smoke emission for different large regions of interest using calculations of smoke emission rates from MODIS FRP and aerosol optical depth (AOD) measurements. Further work had resulted in a first draft of a 1 1 resolution map of these coefficients. This poster will present the work done to refine this algorithm toward the first production of global smoke emission coefficients. Main updates in the algorithm include: 1) inclusion of wind vectors to help refine several parameters, 2) defining new methods for calculating the fire-emitted AOD fractions, and 3) calculating smoke emission rates on a per-pixel basis and aggregating to grid cells instead of doing so later on in the process. In addition to a presentation of the methodology used to derive this product, maps displaying preliminary results as well as an outline of the future application of such a product into specific research opportunities will be shown.

MIST - MINIMUM-STATE METHOD FOR RATIONAL APPROXIMATION OF UNSTEADY AERODYNAMIC FORCE COEFFICIENT MATRICES

NASA Technical Reports Server (NTRS)

Karpel, M.

1994-01-01

Various control analysis, design, and simulation techniques of aeroservoelastic systems require the equations of motion to be cast in a linear, time-invariant state-space form. In order to account for unsteady aerodynamics, rational function approximations must be obtained to represent them in the first order equations of the state-space formulation. A computer program, MIST, has been developed which determines minimum-state approximations of the coefficient matrices of the unsteady aerodynamic forces. The Minimum-State Method facilitates the design of lower-order control systems, analysis of control system performance, and near real-time simulation of aeroservoelastic phenomena such as the outboard-wing acceleration response to gust velocity. Engineers using this program will be able to calculate minimum-state rational approximations of the generalized unsteady aerodynamic forces. Using the Minimum-State formulation of the state-space equations, they will be able to obtain state-space models with good open-loop characteristics while reducing the number of aerodynamic equations by an order of magnitude more than traditional approaches. These low-order state-space mathematical models are good for design and simulation of aeroservoelastic systems. The computer program, MIST, accepts tabular values of the generalized aerodynamic forces over a set of reduced frequencies. It then determines approximations to these tabular data in the LaPlace domain using rational functions. MIST provides the capability to select the denominator coefficients in the rational approximations, to selectably constrain the approximations without increasing the problem size, and to determine and emphasize critical frequency ranges in determining the approximations. MIST has been written to allow two types data weighting options. The first weighting is a traditional normalization of the aerodynamic data to the maximum unit value of each aerodynamic coefficient. The second allows weighting the importance of different tabular values in determining the approximations based upon physical characteristics of the system. Specifically, the physical weighting capability is such that each tabulated aerodynamic coefficient, at each reduced frequency value, is weighted according to the effect of an incremental error of this coefficient on aeroelastic characteristics of the system. In both cases, the resulting approximations yield a relatively low number of aerodynamic lag states in the subsequent state-space model. MIST is written in ANSI FORTRAN 77 for DEC VAX series computers running VMS. It requires approximately 1Mb of RAM for execution. The standard distribution medium for this package is a 9-track 1600 BPI magnetic tape in DEC VAX FILES-11 format. It is also available on a TK50 tape cartridge in DEC VAX BACKUP format. MIST was developed in 1991. DEC VAX and VMS are trademarks of Digital Equipment Corporation. FORTRAN 77 is a registered trademark of Lahey Computer Systems, Inc.

Semicommuting and Commuting Operators for the Heun Family

NASA Astrophysics Data System (ADS)

Batic, D.; Mills, D.; Nowakowski, M.

2018-04-01

We derive the most general families of first- and second-order differential operators semicommuting with the Heun class differential operators. Among these families, we classify all the families that commute with the Heun class. In particular, we find that a certain generalized Heun equation commutes with the Heun differential operator, which allows constructing a general solution of a complicated fourth-order linear differential equation with variable coefficients whose solution cannot be obtained using Maple 16.

Ordered rate constitutive theories for thermoviscoelastic solids with memory in Lagrangian description using Gibbs potential

NASA Astrophysics Data System (ADS)

Surana, K. S.; Reddy, J. N.; Nunez, Daniel

2015-11-01

This paper presents ordered rate constitutive theories of orders m and n, i.e., ( m, n) for finite deformation of homogeneous, isotropic, compressible and incompressible thermoviscoelastic solids with memory in Lagrangian description using entropy inequality in Gibbs potential Ψ as an alternate approach of deriving constitutive theories using entropy inequality in terms of Helmholtz free energy density Φ. Second Piola-Kirchhoff stress σ [0] and Green's strain tensor ɛ [0] are used as conjugate pair. We consider Ψ, heat vector q, entropy density η and rates of upto orders m and n of σ [0] and ɛ [0], i.e., σ [ i]; i = 0, 1, . . . , m and ɛ [ j]; j = 0, 1, . . . , n. We choose Ψ, ɛ [ n], q and η as dependent variables in the constitutive theories with ɛ [ j]; j = 0, 1, . . . , n - 1, σ [ i]; i = 0, 1, . . . , m, temperature gradient g and temperature θ as their argument tensors. Rationale for this choice is explained in the paper. Entropy inequality, decomposition of σ [0] into equilibrium and deviatoric stresses, the conditions resulting from entropy inequality and the theory of generators and invariants are used in the derivations of ordered rate constitutive theories of orders m and n in stress and strain tensors. Constitutive theories for the heat vector q (of up to orders m and n - 1) that are consistent (in terms of the argument tensors) with the constitutive theories for ɛ [ n] (of up to orders m and n) are also derived. Many simplified forms of the rate theories of orders ( m, n) are presented. Material coefficients are derived by considering Taylor series expansions of the coefficients in the linear combinations representing ɛ [ n] and q using the combined generators of the argument tensors about a known configuration {{\\underline{\\varOmega}}} in the combined invariants of the argument tensors and temperature. It is shown that the rate constitutive theories of order one ( m = 1, n = 1) when further simplified result in constitutive theories that resemble currently used theories but are in fact different. The solid continua characterized by these theories have mechanisms of elasticity, dissipation and memory, i.e., relaxation behavior or rheology. Fourier heat conduction law is shown to be an over simplified case of the rate theory of order one ( m = 1, n = 1) for q. The paper establishes when there is equivalence between the constitutive theories derived here using Ψ and those presented in reference Surana et al. (Acta Mech. doi:10.1007/s00707-014-1173-6, 2014) that are derived using Helmholtz free energy density Φ. The fundamental differences between the two constitutive theories in terms of physics and their explicit forms using Φ and Ψ are difficult to distinguish from the ordered theories of orders ( m, n) due to complexity of expressions. However, by choosing lower ordered theories, the difference between the two approaches can be clearly seen.

Transformation between surface spherical harmonic expansion of arbitrary high degree and order and double Fourier series on sphere

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

2018-02-01

In order to accelerate the spherical harmonic synthesis and/or analysis of arbitrary function on the unit sphere, we developed a pair of procedures to transform between a truncated spherical harmonic expansion and the corresponding two-dimensional Fourier series. First, we obtained an analytic expression of the sine/cosine series coefficient of the 4 π fully normalized associated Legendre function in terms of the rectangle values of the Wigner d function. Then, we elaborated the existing method to transform the coefficients of the surface spherical harmonic expansion to those of the double Fourier series so as to be capable with arbitrary high degree and order. Next, we created a new method to transform inversely a given double Fourier series to the corresponding surface spherical harmonic expansion. The key of the new method is a couple of new recurrence formulas to compute the inverse transformation coefficients: a decreasing-order, fixed-degree, and fixed-wavenumber three-term formula for general terms, and an increasing-degree-and-order and fixed-wavenumber two-term formula for diagonal terms. Meanwhile, the two seed values are analytically prepared. Both of the forward and inverse transformation procedures are confirmed to be sufficiently accurate and applicable to an extremely high degree/order/wavenumber as 2^{30} {≈ } 10^9. The developed procedures will be useful not only in the synthesis and analysis of the spherical harmonic expansion of arbitrary high degree and order, but also in the evaluation of the derivatives and integrals of the spherical harmonic expansion.

Ong construction for the reconstructed Fermi surface of underdoped cuprates

NASA Astrophysics Data System (ADS)

Robinson, P.; Hussey, N. E.

2015-12-01

Using the Ong construction for a two-dimensional metal, we show that the sign change in the Hall coefficient RH of underdoped hole-doped cuprates at low temperature is consistent with the emergence of biaxial charge order recently proposed to explain the observation of low-frequency quantum oscillations. The sharp evolution of RH with temperature, however, can only be reconciled by incorporating a highly anisotropic quasiparticle scattering rate. The magnitude and form of the scattering rate extracted from the fitting imply that those quasiparticles at the vertices of the reconstructed pocket(s) approach the boundary of incoherence at the onset of charge order.

Extracting rate coefficients from single-molecule photon trajectories and FRET efficiency histograms for a fast-folding protein.

PubMed

Chung, Hoi Sung; Gopich, Irina V; McHale, Kevin; Cellmer, Troy; Louis, John M; Eaton, William A

2011-04-28

Recently developed statistical methods by Gopich and Szabo were used to extract folding and unfolding rate coefficients from single-molecule Förster resonance energy transfer (FRET) data for proteins with kinetics too fast to measure waiting time distributions. Two types of experiments and two different analyses were performed. In one experiment bursts of photons were collected from donor and acceptor fluorophores attached to a 73-residue protein, α(3)D, freely diffusing through the illuminated volume of a confocal microscope system. In the second, the protein was immobilized by linkage to a surface, and photons were collected until one of the fluorophores bleached. Folding and unfolding rate coefficients and mean FRET efficiencies for the folded and unfolded subpopulations were obtained from a photon by photon analysis of the trajectories using a maximum likelihood method. The ability of the method to describe the data in terms of a two-state model was checked by recoloring the photon trajectories with the extracted parameters and comparing the calculated FRET efficiency histograms with the measured histograms. The sum of the rate coefficients for the two-state model agreed to within 30% with the relaxation rate obtained from the decay of the donor-acceptor cross-correlation function, confirming the high accuracy of the method. Interestingly, apparently reliable rate coefficients could be extracted using the maximum likelihood method, even at low (<10%) population of the minor component where the cross-correlation function was too noisy to obtain any useful information. The rate coefficients and mean FRET efficiencies were also obtained in an approximate procedure by simply fitting the FRET efficiency histograms, calculated by binning the donor and acceptor photons, with a sum of three-Gaussian functions. The kinetics are exposed in these histograms by the growth of a FRET efficiency peak at values intermediate between the folded and unfolded peaks as the bin size increases, a phenomenon with similarities to NMR exchange broadening. When comparable populations of folded and unfolded molecules are present, this method yields rate coefficients in very good agreement with those obtained with the maximum likelihood method. As a first step toward characterizing transition paths, the Viterbi algorithm was used to locate the most probable transition points in the photon trajectories.

Contribution of fecal egestion to the whole body elimination of polychlorinated biphenyls by Japanese koi (Cyprinus carpio).

PubMed

Paterson, Gord; Liu, Jian; Haffner, G Douglas; Drouillard, Ken G

2010-08-01

This research investigated dose-dependent whole body and fecal elimination of 39 polychlorinated biphenyl (PCB) congeners spanning a range of chemical hydrophobicities (log Kow) by the Japanese koi (Cyprinus carpio). Both whole body (ktot) and fecal (keg) PCB congener elimination rate coefficients were negatively correlated with log Kow and observed to be dose independent. PCB congener ktot values determined for koi were representative of those generated for fish species of similar size and reared at near optimal temperatures. For persistent and metabolized-type PCB congeners, no significant difference was observed between the regressions describing the relationships between ktot and log Kow for these congeners. Individual PCB congener keg coefficient estimates ranged between 1% and 20% of their respective ktot values but averaged only 5% of the magnitude of ktot over a log Kow range of 5.7-7.8. These results verify first-order kinetics of PCB elimination by a fish species and demonstrate that the relative contribution of keg to ktot is negligible, even for highly hydrophobic (log Kow>6.5) compounds. It was concluded that gill elimination is the primary mechanism of elimination for persistent organic pollutants such as PCBs by Japanese koi.

Attenuation of fluorocarbons released from foam insulation in landfills.

PubMed

Scheutz, Charlotte; Dote, Yutaka; Fredenslund, Anders M; Mosbaek, Hans; Kjeldsen, Peter

2007-11-15

Chlorofluorocarbons (CFCs), hydrochlorofluorocarbons (HCFCs), and hydrofluorocarbons (HFCs) have been used as blowing agents (BAs) for foam insulation in home appliances and building materials, which after the end of their useful life are disposed of in landfills. The objective of this project was to evaluate the potential for degradation of BAs in landfills, and to develop a landfill model, which could simulate the fate of BAs in landfills. The investigation was performed by use of anaerobic microcosm studies using different types of organic waste and anaerobic digested sludge as inoculum. The BAs studied were CFC-11, CFC-12, HCFC-141b, HFC-134a, and HFC-245fa. Experiments considering the fate of some of the expected degradations products of CFC-11 and CFC-12 were included like HCFC-21, HCFC-22, HCFC-31, HCFC-32, and HFC-41. Degradation of all studied CFCs and HCFCs was observed regardless the type of waste used. In general, the degradation followed first-order kinetics. CFC-11 was rapidly degraded from 590 microg L(-1) to less than 5 microg L(-1) within 15-20 days. The degradation pattern indicated a sequential production of HCFC-21, HCFC-31, and HFC-41. However, the production of degradation products did not correlate with a stoichiometric removal of CFC-11 indicating that other degradation products were produced. HCFC-21 and HCFC-31 were further degraded whereas no further degradation of HFC-41 was observed. The degradation rate coefficient was directly correlated with the number of chlorine atoms attached to the carbon. The highest degradation rate coefficient was obtained for CFC-11, whereas lower rates were seen for HCFC-21 and HCFC-31. Equivalent results were obtained for CFC-12. HCFC-141b was also degraded with rates comparable to HCFC-21 and CFC-12. Anaerobic degradation of the studied HFCs was not observed in any of the experiments within a run time of up to 200 days. The obtained degradation rate coefficients were used as input for an extended version of an existing landfill fate model incorporating a time dependent BA release from co-disposed foam insulation waste. Predictions with the model indicate that the emission of foam released BAs may be strongly attenuated by microbial degradation reactions. Sensitivity analysis suggests that there is a need for determination of degradation rates under more field realistic scenarios.

Some Fundamental Issues of Mathematical Simulation in Biology

NASA Astrophysics Data System (ADS)

Razzhevaikin, V. N.

2018-02-01

Some directions of simulation in biology leading to original formulations of mathematical problems are overviewed. Two of them are discussed in detail: the correct solvability of first-order linear equations with unbounded coefficients and the construction of a reaction-diffusion equation with nonlinear diffusion for a model of genetic wave propagation.

Columbia: The first five flights entry heating data series. Volume 4: The lower windward wing 50 percent and 80 percent semispans

NASA Technical Reports Server (NTRS)

Williams, S. D.

1983-01-01

Entry heating flight data and wind tunnel data on the lower wing 50% and 80% Semi-Spans are presented for the first five flights of the Space Shuttle Orbiter. The heating rate data is presented in terms of normalized film heat transfer coefficients as a function of angle-of-attack, Mach number, and Normal Shock Reynolds number. The surface heating rates and temperatures were obtained via the JSC NONLIN/INVERSE computer program. Time history plots of the surface heating rates and temperatures are also presented.

Apparent diffusion coefficient histogram shape analysis for monitoring early response in patients with advanced cervical cancers undergoing concurrent chemo-radiotherapy.

PubMed

Meng, Jie; Zhu, Lijing; Zhu, Li; Wang, Huanhuan; Liu, Song; Yan, Jing; Liu, Baorui; Guan, Yue; Ge, Yun; He, Jian; Zhou, Zhengyang; Yang, Xiaofeng

2016-10-22

To explore the role of apparent diffusion coefficient (ADC) histogram shape related parameters in early assessment of treatment response during the concurrent chemo-radiotherapy (CCRT) course of advanced cervical cancers. This prospective study was approved by the local ethics committee and informed consent was obtained from all patients. Thirty-two patients with advanced cervical squamous cell carcinomas underwent diffusion weighted magnetic resonance imaging (b values, 0 and 800 s/mm 2 ) before CCRT, at the end of 2nd and 4th week during CCRT and immediately after CCRT completion. Whole lesion ADC histogram analysis generated several histogram shape related parameters including skewness, kurtosis, s-sD av , width, standard deviation, as well as first-order entropy and second-order entropies. The averaged ADC histograms of 32 patients were generated to visually observe dynamic changes of the histogram shape following CCRT. All parameters except width and standard deviation showed significant changes during CCRT (all P < 0.05), and their variation trends fell into four different patterns. Skewness and kurtosis both showed high early decline rate (43.10 %, 48.29 %) at the end of 2nd week of CCRT. All entropies kept decreasing significantly since 2 weeks after CCRT initiated. The shape of averaged ADC histogram also changed obviously following CCRT. ADC histogram shape analysis held the potential in monitoring early tumor response in patients with advanced cervical cancers undergoing CCRT.

Volumetric runoff coefficients for experimental rural catchments in the Iberian Peninsula

NASA Astrophysics Data System (ADS)

Taguas, Encarnación V.; Molina, Cecilio; Nadal-Romero, Estela; Ayuso, José L.; Casalí, Javier; Cid, Patricio; Dafonte, Jorge; Duarte, Antonio C.; Farguell, Joaquim; Giménez, Rafael; Giráldez, Juan V.; Gómez, Helena; Gómez, Jose A.; González-Hidalgo, J. Carlos; Keizer, J. Jacob; Lucía, Ana; Mateos, Luciano; Rodríguez-Blanco, M. Luz; Schnabel, Sussane; Serrano-Muela, M. Pilar

2015-04-01

Analysis of runoff and peaks therein is essential for designing hydraulic infrastructures and for assessing the hydrological implications of likely scenarios of climate and/or land-use change. Different methods are available to calculate runoff coefficients. For instance, the runoff coefficient of a catchment can be described either as the ratio of total depth of runoff to total depth of rainfall or as the ratio of peak flow to rainfall intensity for the time of concentration (Dhakal et al. 2012). If the first definition is considered, runoff coefficients represent the global effect of different features and states of catchments and its determination requires a suitable analysis according to the objectives pursued (Chow et al., 1988). In this work, rainfall-runoff data and physical attributes from small rural catchments located in the Iberian Peninsula (Portugal and Spain) were examined in order to compare the representative values of runoff coefficients using three different approaches: i) statistical analysis of rainfall-runoff data and their quantiles (Dhakal et al., 2012); ii) probabilistic runoff coefficients from the rank-ordered pairs of observed rainfall-runoff data and their relationships with rainfall depths (Schaake et al., 1967); iii) finally, a multiple linear model based on geomorphological attributes. These catchments exhibit great variety with respect to their natural settings, such as climate, topography and lithology. We present a preliminary analysis of the rainfall-runoff relationships as well as their variability in a complex context such as the Iberian Peninsula where contrasted environmental systems coexist. We also discuss reference parameters representing runoff coefficients commonly included into hydrological models. This study is conceived as the first step to explore further working protocols and modeling gaps in a very susceptible area to the climate change such as the Iberian Peninsula's, where the analysis of runoff coefficients is crucial for designing appropriate decision making tools for water management. REFERENCES Chow V.T., Maidment D.R. and Mays, L.W. 1988. Applied Hydrology. MCGraw Hill, Nueva York. Dhakal, N., Fang, X., Cleveland, T., Thompson, D., Asquith, W., and Marzen, L. (2012). "Estimation of Volumetric Runoff Coefficients for Texas Watersheds Using Land-Use and Rainfall-Runoff Data." Journal of Irrigation and Drainage Engineering, 1(2012):43-54. Schaake JC, Geyer JC,Knapp JW. 1967. Experimental examination of the rational method. J. Hydr.Div. 93(6),353-70

Thermodiffusion, molecular diffusion and Soret coefficient of binary and ternary mixtures of n-hexane, n-dodecane and toluene.

PubMed

Alonso de Mezquia, David; Wang, Zilin; Lapeira, Estela; Klein, Michael; Wiegand, Simone; Mounir Bou-Ali, M

2014-11-01

In this study, the thermodiffusion, molecular diffusion, and Soret coefficients of 12 binary mixtures composed of toluene, n-hexane and n-dodecane in the whole range of concentrations at atmospheric pressure and temperatures of 298.15 K and 308.15 K have been determined. The experimental measurements have been carried out using the Thermogravitational Column, the Sliding Symmetric Tubes and the Thermal Diffusion Forced Rayleigh Scattering techniques. The results obtained using the different techniques show a maximum deviation of 9% for the thermodiffusion coefficient, 8% for the molecular diffusion coefficient and 2% for the Soret coefficient. For the first time we report a decrease of the thermodiffusion coefficient with increasing ratio of the thermal expansion coefficient and viscosity for a binary mixture of an organic ring compound with a short n-alkane. This observation is discussed in terms of interactions between the different components. Additionally, the thermogravitational technique has been used to measure the thermodiffusion coefficients of four ternary mixtures consisting of toluene, n-hexane and n-dodecane at 298.15 K. In order to complete the study, the values obtained for the molecular diffusion coefficient in binary mixtures, and the thermodiffusion coefficient of binary and ternary mixtures have been compared with recently derived correlations.

Diffusion and plasticity at high temperature

NASA Astrophysics Data System (ADS)

Philibert, J.

1991-06-01

High temperature plastic deformation requires atomic migration whatever the mechanism of deformation. The constitutive equations contain a diffusion coefficient and the deformation rate follows an Arrhenius law. This paper will only discuss the case of viscous creep in order to elucidate the nature of the diffusion processes and the expression of the diffusion coefficient involved in alloys or compounds. La déformation plastique à haute température met en jeu des migrations atomiques, quel que soit le mécanisme de déformation. Les lois de comportement contiennent donc un coefficient de diffusion et la vitesse de déformation obéit à une loi d'Arrhenius. Dans cet article, qui ne conceme qu'un seul type de déformation, lefluage visqueux, on s'efforce de préciser la nature des processus de diffusion et du coefficient de diffusion mis en jeu dans le cas des alliages et des composés.

The study of RMB exchange rate complex networks based on fluctuation mode

NASA Astrophysics Data System (ADS)

Yao, Can-Zhong; Lin, Ji-Nan; Zheng, Xu-Zhou; Liu, Xiao-Feng

2015-10-01

In the paper, we research on the characteristics of RMB exchange rate time series fluctuation with methods of symbolization and coarse gaining. First, based on fluctuation features of RMB exchange rate, we define the first type of fluctuation mode as one specific foreign currency against RMB in four days' fluctuating situations, and the second type as four different foreign currencies against RMB in one day's fluctuating situation. With the transforming method, we construct the unique-currency and multi-currency complex networks. Further, through analyzing the topological features including out-degree, betweenness centrality and clustering coefficient of fluctuation-mode complex networks, we find that the out-degree distribution of both types of fluctuation mode basically follows power-law distributions with exponents between 1 and 2. The further analysis reveals that the out-degree and the clustering coefficient generally obey the approximated negative correlation. With this result, we confirm previous observations showing that the RMB exchange rate exhibits a characteristic of long-range memory. Finally, we analyze the most probable transmission route of fluctuation modes, and provide probability prediction matrix. The transmission route for RMB exchange rate fluctuation modes exhibits the characteristics of partially closed loop, repeat and reversibility, which lays a solid foundation for predicting RMB exchange rate fluctuation patterns with large volume of data.

Influence of Nano-Fluid and Receiver Modification in Solar Parabolic Trough Collector Performance

NASA Astrophysics Data System (ADS)

Dharani Kumar, M.; Yuvaraj, G.; Balaji, D.; Pravinraj, R.; shanmugasundaram, Prabhu

2018-02-01

Utilization of natural renewal sources in India is very high over the past decades. Solar power is a prime source of energy available plenty in the world. In this work solar energy is modified into thermal energy by using copper absorber tube with fins. Due to low heat transfer coefficient results leading to higher thermal losses and lower thermal efficiency. In order to increase the heat transfer coefficient copper receiver tube with fins is used and as well as solid has higher thermal conductivity compare to fluid (Tio2) nano fluid is used to improve the heat transfer rate. The analyses have been carried out and take the account of parameters such as solar radiation with time variation, mass flow rate of water, temperatures.

Multilevel Methods for Elliptic Problems with Highly Varying Coefficients on Nonaligned Coarse Grids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scheichl, Robert; Vassilevski, Panayot S.; Zikatanov, Ludmil T.

2012-06-21

We generalize the analysis of classical multigrid and two-level overlapping Schwarz methods for 2nd order elliptic boundary value problems to problems with large discontinuities in the coefficients that are not resolved by the coarse grids or the subdomain partition. The theoretical results provide a recipe for designing hierarchies of standard piecewise linear coarse spaces such that the multigrid convergence rate and the condition number of the Schwarz preconditioned system do not depend on the coefficient variation or on any mesh parameters. One assumption we have to make is that the coarse grids are sufficiently fine in the vicinity of crossmore » points or where regions with large diffusion coefficients are separated by a narrow region where the coefficient is small. We do not need to align them with possible discontinuities in the coefficients. The proofs make use of novel stable splittings based on weighted quasi-interpolants and weighted Poincaré-type inequalities. Finally, numerical experiments are included that illustrate the sharpness of the theoretical bounds and the necessity of the technical assumptions.« less

Potential Biosorbent Derived from Calligonum polygonoides for Removal of Methylene Blue Dye from Aqueous Solution

PubMed Central

Nasrullah, Asma; Khan, Hizbullah; Khan, Amir Sada; Man, Zakaria; Muhammad, Nawshad; Khan, Muhammad Irfan; Abd El-Salam, Naser M.

2015-01-01

The ash of C. polygonoides (locally called balanza) was collected from Lakki Marwat, Khyber Pakhtunkhwa, Pakistan, and was utilized as biosorbent for methylene blue (MB) removal from aqueous solution. The ash was used as biosorbent without any physical or chemical treatment. The biosorbent was characterized by using various techniques such as Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM). The particle size and surface area were measured using particle size analyzer and Brunauer-Emmett-Teller equation (BET), respectively. The SEM and BET results expressed that the adsorbent has porous nature. Effects of various conditions such as initial concentration of methylene blue (MB), initial pH, contact time, dosage of biosorbent, and stirring rate were also investigated for the adsorption process. The rate of the adsorption of MB on biomass sample was fast, and equilibrium has been achieved within 1 hour. The kinetics of MB adsorption on biosorbent was studied by pseudo-first- and pseudo-second-order kinetic models and the pseudo-second-order has better mathematical fit with correlation coefficient value (R 2) of 0.999. The study revealed that C. polygonoides ash proved to be an effective, alternative, inexpensive, and environmentally benign biosorbent for MB removal from aqueous solution. PMID:25705714

Consensus Algorithms for Networks of Systems with Second- and Higher-Order Dynamics

NASA Astrophysics Data System (ADS)

Fruhnert, Michael

This thesis considers homogeneous networks of linear systems. We consider linear feedback controllers and require that the directed graph associated with the network contains a spanning tree and systems are stabilizable. We show that, in continuous-time, consensus with a guaranteed rate of convergence can always be achieved using linear state feedback. For networks of continuous-time second-order systems, we provide a new and simple derivation of the conditions for a second-order polynomials with complex coefficients to be Hurwitz. We apply this result to obtain necessary and sufficient conditions to achieve consensus with networks whose graph Laplacian matrix may have complex eigenvalues. Based on the conditions found, methods to compute feedback gains are proposed. We show that gains can be chosen such that consensus is achieved robustly over a variety of communication structures and system dynamics. We also consider the use of static output feedback. For networks of discrete-time second-order systems, we provide a new and simple derivation of the conditions for a second-order polynomials with complex coefficients to be Schur. We apply this result to obtain necessary and sufficient conditions to achieve consensus with networks whose graph Laplacian matrix may have complex eigenvalues. We show that consensus can always be achieved for marginally stable systems and discretized systems. Simple conditions for consensus achieving controllers are obtained when the Laplacian eigenvalues are all real. For networks of continuous-time time-variant higher-order systems, we show that uniform consensus can always be achieved if systems are quadratically stabilizable. In this case, we provide a simple condition to obtain a linear feedback control. For networks of discrete-time higher-order systems, we show that constant gains can be chosen such that consensus is achieved for a variety of network topologies. First, we develop simple results for networks of time-invariant systems and networks of time-variant systems that are given in controllable canonical form. Second, we formulate the problem in terms of Linear Matrix Inequalities (LMIs). The condition found simplifies the design process and avoids the parallel solution of multiple LMIs. The result yields a modified Algebraic Riccati Equation (ARE) for which we present an equivalent LMI condition.

Time-dependent Models for Blazar Emission with the Second-order Fermi Acceleration

NASA Astrophysics Data System (ADS)

Asano, Katsuaki; Takahara, Fumio; Kusunose, Masaaki; Toma, Kenji; Kakuwa, Jun

2014-01-01

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations. The hard electron spectrum predicted by the Fermi-II process agrees with the hard photon spectrum of 1ES 1101-232. For other blazars that show softer spectra, the Fermi-II model requires radial evolution of the electron injection rate and/or diffusion coefficient in the outflow. Such evolutions can yield a curved electron spectrum, which can reproduce the synchrotron spectrum of Mrk 421 from the radio to the X-ray regime. The photon spectrum in the GeV energy range of Mrk 421 is hard to fit with a synchrotron self-Compton model. However, if we introduce an external radio photon field with a luminosity of 4.9 × 1038 erg s-1, GeV photons are successfully produced via inverse Compton scattering. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.

A hybrid artificial neural network and particle swarm optimization for prediction of removal of hazardous dye brilliant green from aqueous solution using zinc sulfide nanoparticle loaded on activated carbon.

PubMed

Ghaedi, M; Ansari, A; Bahari, F; Ghaedi, A M; Vafaei, A

2015-02-25

In the present study, zinc sulfide nanoparticle loaded on activated carbon (ZnS-NP-AC) simply was synthesized in the presence of ultrasound and characterized using different techniques such as SEM and BET analysis. Then, this material was used for brilliant green (BG) removal. To dependency of BG removal percentage toward various parameters including pH, adsorbent dosage, initial dye concentration and contact time were examined and optimized. The mechanism and rate of adsorption was ascertained by analyzing experimental data at various time to conventional kinetic models such as pseudo-first-order and second order, Elovich and intra-particle diffusion models. Comparison according to general criterion such as relative error in adsorption capacity and correlation coefficient confirm the usability of pseudo-second-order kinetic model for explanation of data. The Langmuir models is efficiently can explained the behavior of adsorption system to give full information about interaction of BG with ZnS-NP-AC. A multiple linear regression (MLR) and a hybrid of artificial neural network and partial swarm optimization (ANN-PSO) model were used for prediction of brilliant green adsorption onto ZnS-NP-AC. Comparison of the results obtained using offered models confirm higher ability of ANN model compare to the MLR model for prediction of BG adsorption onto ZnS-NP-AC. Using the optimal ANN-PSO model the coefficient of determination (R(2)) were 0.9610 and 0.9506; mean squared error (MSE) values were 0.0020 and 0.0022 for the training and testing data set, respectively. Copyright © 2014 Elsevier B.V. All rights reserved.

A hybrid artificial neural network and particle swarm optimization for prediction of removal of hazardous dye brilliant green from aqueous solution using zinc sulfide nanoparticle loaded on activated carbon

NASA Astrophysics Data System (ADS)

Ghaedi, M.; Ansari, A.; Bahari, F.; Ghaedi, A. M.; Vafaei, A.

2015-02-01

In the present study, zinc sulfide nanoparticle loaded on activated carbon (ZnS-NP-AC) simply was synthesized in the presence of ultrasound and characterized using different techniques such as SEM and BET analysis. Then, this material was used for brilliant green (BG) removal. To dependency of BG removal percentage toward various parameters including pH, adsorbent dosage, initial dye concentration and contact time were examined and optimized. The mechanism and rate of adsorption was ascertained by analyzing experimental data at various time to conventional kinetic models such as pseudo-first-order and second order, Elovich and intra-particle diffusion models. Comparison according to general criterion such as relative error in adsorption capacity and correlation coefficient confirm the usability of pseudo-second-order kinetic model for explanation of data. The Langmuir models is efficiently can explained the behavior of adsorption system to give full information about interaction of BG with ZnS-NP-AC. A multiple linear regression (MLR) and a hybrid of artificial neural network and partial swarm optimization (ANN-PSO) model were used for prediction of brilliant green adsorption onto ZnS-NP-AC. Comparison of the results obtained using offered models confirm higher ability of ANN model compare to the MLR model for prediction of BG adsorption onto ZnS-NP-AC. Using the optimal ANN-PSO model the coefficient of determination (R2) were 0.9610 and 0.9506; mean squared error (MSE) values were 0.0020 and 0.0022 for the training and testing data set, respectively.

Predicting permeability of regular tissue engineering scaffolds: scaling analysis of pore architecture, scaffold length, and fluid flow rate effects.

PubMed

Rahbari, A; Montazerian, H; Davoodi, E; Homayoonfar, S

2017-02-01

The main aim of this research is to numerically obtain the permeability coefficient in the cylindrical scaffolds. For this purpose, a mathematical analysis was performed to derive an equation for desired porosity in terms of morphological parameters. Then, the considered cylindrical geometries were modeled and the permeability coefficient was calculated according to the velocity and pressure drop values based on the Darcy's law. In order to validate the accuracy of the present numerical solution, the obtained permeability coefficient was compared with the published experimental data. It was observed that this model can predict permeability with the utmost accuracy. Then, the effect of geometrical parameters including porosity, scaffold pore structure, unit cell size, and length of the scaffolds as well as entrance mass flow rate on the permeability of porous structures was studied. Furthermore, a parametric study with scaling laws analysis of sample length and mass flow rate effects on the permeability showed good fit to the obtained data. It can be concluded that the sensitivity of permeability is more noticeable at higher porosities. The present approach can be used to characterize and optimize the scaffold microstructure due to the necessity of cell growth and transferring considerations.

Modeling and Simulation of Hydropower Station Diversion System's characteristic line method by introducing water head to flow feedback

NASA Astrophysics Data System (ADS)

Guangwen, Xu; Xi, Li; Ze, Yao

2018-06-01

To solve the damping problem of water hammer wave in the modeling method of water diversion system of hydropower station, this paper introduces the feedback regulation technology from head to flow, that is: A fixed water head is taken out for flow feedback, and the following conclusions are obtained through modeling and simulation. Adjusting the feedback coefficient F of the water head to the flow rate can change the damping characteristic of the system, which can simulate the attenuation process of the water shock wave in the true water diversion pipeline. Even if a small feedback coefficient is introduced, the damping effect of the system is very obvious, but it has little effect on the amplitude of the first water shock wave after the transition process. Therefore, it is feasible and reasonable to introduce water head to flow rate feedback coefficient F in hydraulic turbine diversion system.

ICP-MS measurement of diffusion coefficients of Cs in NBG-18 graphite

NASA Astrophysics Data System (ADS)

Carter, L. M.; Brockman, J. D.; Robertson, J. D.; Loyalka, S. K.

2015-11-01

Graphite is used in the HGTR/VHTR as moderator and it also functions as a barrier to fission product release. Therefore, an elucidation of transport of fission products in reactor-grade graphite is required. We have measured diffusion coefficients of Cs in graphite NBG-18 using the release method, wherein we infused spheres of NBG-18 with Cs and measured the release rates in the temperature range of 1090-1395 K. We have obtained: These seem to be the first reported values of Cs diffusion coefficients in NBG-18. The values are lower than those reported for other graphites in the literature.

First-order dissolution rate law and the role of surface layers in glass performance assessment

NASA Astrophysics Data System (ADS)

Grambow, B.; Müller, R.

2001-09-01

The first-order dissolution rate law is used for nuclear waste glass performance predictions since 1984. A first discussion of the role of saturation effects was initiated at the MRS conference that year. In paper (1) it was stated that "For glass dissolution A* (the reaction affinity) cannot become zero since saturation only involves the reacting surface while soluble elements still might be extracted from the glass" [B. Grambow, J. Mater. Res. Soc. Symp. Proc. 44 (1985) 15]. Saturation of silica at the surface and condensation of surface silanol groups was considered as being responsible for the slow down of reaction rates by as much as a factor of 1000. Precipitation of Si containing secondary phases such as quartz was invoked as a mechanism for keeping final dissolution affinities higher than zero. Another (2) paper [A.B. Barkatt, P.B. Macedo, B.C. Gibson, C.J. Montrose, J. Mater. Res. Soc. Symp. Proc. 44 (1985) 3] stated that "… under repository conditions the extent of glass dissolution will be moderate due to saturation with respect to certain major elements (in particular, Si, Al and Ca). Consequently, the concentration levels of the more soluble glass constituents in the aqueous medium are expected to fall appreciable below their solubility limit." The formation of dense surface layers was considered responsible for explaining the saturation effect. The mathematical model assumed stop of reaction in closed systems, once solubility limits were achieved. For more than 15 years the question of the correctness of one or the other concept has seldom been posed and has not yet been resolved. The need of repository performance assessment for validated rate laws demands a solution, particularly since the consequences of the two concepts and research requirements for the long-term glass behavior are quite different. In concept (1) the stability of the `equilibrium surface region' is not relevant because, by definition, this region is stable chemically and after a potential mechanical destruction it will be reformed instantaneously. The same is true for radiation damage. The dissolution of silica from the surface in this concept is considered as rate limiting for the release of soluble elements from the glass. After surface stabilization by local solid/solution equilibrium the release of soluble radionuclides continues with lower rates, but this is considered as resulting from parallel leaching mechanism. In fact, the deconvolutions of the overall leach mechanism into individual parallel and sequential rate limiting steps (not necessarily elementary reactions) is fundamental to this concept. In concept (2) surface stability as well as surface morphology are fundamental. A fracture in the protective surface would increase glass corrosion. The protective effect is based on the low diffusivities of radionuclides and other glass constituents in this layer. However, a true relation between layer thickness and rates is seldom observed. Diffusion coefficients are considered to vary with time as well as with the surface area to solution volume S/ V ratio. Sometimes, extremely low diffusivities in extremely thin layers are invoked to explain experimental data. The two concepts are not so different from each other and one is tempted to think of a problem of semantics. In fact, there are two alternative ways by which the protective layer concept can be coupled to the saturation concept: (a) the layer may be formed by solubility effects as proposed in [loc.cit] and/or (b) the layer plays the role of a silica diffusion barrier limiting glass dissolution rates according to the first-order rate law at the interface between the pristine glass and the surface layer. However, the mathematical models based on these conceptual models yield quite different long-term predictions, even though the models may equally well fit a given set of experimental data. The models are also different with respect to the number of interrelated parameters. In the case of a model based on a surface layer slowing down glass network dissolution, the numerical value of the diffusion coefficient of silica, the layer thickness and the saturation concentration of dissolved silica are interrelated. Often, none of the parameters are measured directly. As a consequence this leads to not-sufficiently constrained models with poor predictive capacity. Recent research has indicated that there might be problems with the applicability of the first-order rate law [C. Jegou, thesis, University of Montpellier II, 1998]. Fresh glass or pre-altered glass samples were put in solutions over-saturated with silica. A decrease in reaction rates by as much as a factor of 10 was observed, but the rates remained much higher than predicted from a first-order rate law. It was argued that none of the kinetic models based on the notions of `chemical affinity' and `deviation from an equilibrium' is adapted to describe the kinetics of glass corrosion. In contrast, the formation of a surface gel and condensation of silanol groups are considered responsible for the decrease in reaction rates. The present communication argues against this view. Based on recent results of Monte Carlo calculations [M. Aertsens, Mater. Res. Soc. Symp. Proc. 556 (1999) 409] it is shown that some time of surface restructuration is necessary before saturation effects become fully effective in controlling long-term release of soluble glass constituents. The formation of a gel layer is not opposed to an affinity based kinetic concept, but it is in contrast a manifestation of this concept. It is the belief of the authors that much of the confusion related to the first-order rate law results from the fact that glass network dissolution is not considered as only one of a series of reaction mechanism and that glass network hydration and alkali ion exchange were ignored as parallel leaching mechanism. Our experimental results show that glass network hydration and ion exchange are important in short-term laboratory tests and in certain cases (closed system) also in the long term.

Binary Black Hole Mergers in the First Advanced LIGO Observing Run

NASA Astrophysics Data System (ADS)

Abbott, B. P.; Abbott, R.; Abbott, T. D.; Abernathy, M. R.; Acernese, F.; Ackley, K.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R. X.; Adya, V. B.; Affeldt, C.; Agathos, M.; Agatsuma, K.; Aggarwal, N.; Aguiar, O. D.; Aiello, L.; Ain, A.; Ajith, P.; Allen, B.; Allocca, A.; Altin, P. A.; Anderson, S. B.; Anderson, W. G.; Arai, K.; Araya, M. C.; Arceneaux, C. C.; Areeda, J. S.; Arnaud, N.; Arun, K. G.; Ascenzi, S.; Ashton, G.; Ast, M.; Aston, S. M.; Astone, P.; Aufmuth, P.; Aulbert, C.; Babak, S.; Bacon, P.; Bader, M. K. M.; Baker, P. T.; Baldaccini, F.; Ballardin, G.; Ballmer, S. W.; Barayoga, J. C.; Barclay, S. E.; Barish, B. C.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barta, D.; Bartlett, J.; Bartos, I.; Bassiri, R.; Basti, A.; Batch, J. C.; Baune, C.; Bavigadda, V.; Bazzan, M.; Bejger, M.; Bell, A. S.; Berger, B. K.; Bergmann, G.; Berry, C. P. L.; Bersanetti, D.; Bertolini, A.; Betzwieser, J.; Bhagwat, S.; Bhandare, R.; Bilenko, I. A.; Billingsley, G.; Birch, J.; Birney, R.; Birnholtz, O.; Biscans, S.; Bisht, A.; Bitossi, M.; Biwer, C.; Bizouard, M. A.; Blackburn, J. K.; Blair, C. D.; Blair, D. G.; Blair, R. M.; Bloemen, S.; Bock, O.; Boer, M.; Bogaert, G.; Bogan, C.; Bohe, A.; Bond, C.; Bondu, F.; Bonnand, R.; Boom, B. A.; Bork, R.; Boschi, V.; Bose, S.; Bouffanais, Y.; Bozzi, A.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Briant, T.; Brillet, A.; Brinkmann, M.; Brisson, V.; Brockill, P.; Broida, J. E.; Brooks, A. F.; Brown, D. A.; Brown, D. D.; Brown, N. M.; Brunett, S.; Buchanan, C. C.; Buikema, A.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Buskulic, D.; Buy, C.; Byer, R. L.; Cabero, M.; Cadonati, L.; Cagnoli, G.; Cahillane, C.; Calderón Bustillo, J.; Callister, T.; Calloni, E.; Camp, J. B.; Cannon, K. C.; Cao, J.; Capano, C. D.; Capocasa, E.; Carbognani, F.; Caride, S.; Casanueva Diaz, J.; Casentini, C.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Cella, G.; Cepeda, C. B.; Cerboni Baiardi, L.; Cerretani, G.; Cesarini, E.; Chamberlin, S. J.; Chan, M.; Chao, S.; Charlton, P.; Chassande-Mottin, E.; Cheeseboro, B. D.; Chen, H. Y.; Chen, Y.; Cheng, C.; Chincarini, A.; Chiummo, A.; Cho, H. S.; Cho, M.; Chow, J. H.; Christensen, N.; Chu, Q.; Chua, S.; Chung, S.; Ciani, G.; Clara, F.; Clark, J. A.; Cleva, F.; Coccia, E.; Cohadon, P.-F.; Colla, A.; Collette, C. G.; Cominsky, L.; Constancio, M.; Conte, A.; Conti, L.; Cook, D.; Corbitt, T. R.; Cornish, N.; Corsi, A.; Cortese, S.; Costa, C. A.; Coughlin, M. W.; Coughlin, S. B.; Coulon, J.-P.; Countryman, S. T.; Couvares, P.; Cowan, E. E.; Coward, D. M.; Cowart, M. J.; Coyne, D. C.; Coyne, R.; Craig, K.; Creighton, J. D. E.; Cripe, J.; Crowder, S. G.; Cumming, A.; Cunningham, L.; Cuoco, E.; Dal Canton, T.; Danilishin, S. L.; D'Antonio, S.; Danzmann, K.; Darman, N. S.; Dasgupta, A.; Da Silva Costa, C. F.; Dattilo, V.; Dave, I.; Davier, M.; Davies, G. S.; Daw, E. J.; Day, R.; De, S.; DeBra, D.; Debreczeni, G.; Degallaix, J.; De Laurentis, M.; Deléglise, S.; Del Pozzo, W.; Denker, T.; Dent, T.; Dergachev, V.; De Rosa, R.; DeRosa, R. T.; DeSalvo, R.; Devine, R. C.; Dhurandhar, S.; Díaz, M. C.; Di Fiore, L.; Di Giovanni, M.; Di Girolamo, T.; Di Lieto, A.; Di Pace, S.; Di Palma, I.; Di Virgilio, A.; Dolique, V.; Donovan, F.; Dooley, K. L.; Doravari, S.; Douglas, R.; Downes, T. P.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Ducrot, M.; Dwyer, S. E.; Edo, T. B.; Edwards, M. C.; Effler, A.; Eggenstein, H.-B.; Ehrens, P.; Eichholz, J.; Eikenberry, S. S.; Engels, W.; Essick, R. C.; Etzel, T.; Evans, M.; Evans, T. M.; Everett, R.; Factourovich, M.; Fafone, V.; Fair, H.; Fairhurst, S.; Fan, X.; Fang, Q.; Farinon, S.; Farr, B.; Farr, W. M.; Favata, M.; Fays, M.; Fehrmann, H.; Fejer, M. M.; Fenyvesi, E.; Ferrante, I.; Ferreira, E. C.; Ferrini, F.; Fidecaro, F.; Fiori, I.; Fiorucci, D.; Fisher, R. P.; Flaminio, R.; Fletcher, M.; Fong, H.; Fournier, J.-D.; Frasca, S.; Frasconi, F.; Frei, Z.; Freise, A.; Frey, R.; Frey, V.; Fritschel, P.; Frolov, V. V.; Fulda, P.; Fyffe, M.; Gabbard, H. A. G.; Gaebel, S.; Gair, J. R.; Gammaitoni, L.; Gaonkar, S. G.; Garufi, F.; Gaur, G.; Gehrels, N.; Gemme, G.; Geng, P.; Genin, E.; Gennai, A.; George, J.; Gergely, L.; Germain, V.; Ghosh, Abhirup; Ghosh, Archisman; Ghosh, S.; Giaime, J. A.; Giardina, K. D.; Giazotto, A.; Gill, K.; Glaefke, A.; Goetz, E.; Goetz, R.; Gondan, L.; González, G.; Gonzalez Castro, J. M.; Gopakumar, A.; Gordon, N. A.; Gorodetsky, M. L.; Gossan, S. E.; Gosselin, M.; Gouaty, R.; Grado, A.; Graef, C.; Graff, P. B.; Granata, M.; Grant, A.; Gras, S.; Gray, C.; Greco, G.; Green, A. C.; Groot, P.; Grote, H.; Grunewald, S.; Guidi, G. M.; Guo, X.; Gupta, A.; Gupta, M. K.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hacker, J. J.; Hall, B. R.; Hall, E. D.; Hamilton, H.; Hammond, G.; Haney, M.; Hanke, M. M.; Hanks, J.; Hanna, C.; Hannam, M. D.; Hanson, J.; Hardwick, T.; Harms, J.; Harry, G. M.; Harry, I. W.; Hart, M. J.; Hartman, M. T.; Haster, C.-J.; Haughian, K.; Healy, J.; Heidmann, A.; Heintze, M. C.; Heitmann, H.; Hello, P.; Hemming, G.; Hendry, M.; Heng, I. S.; Hennig, J.; Henry, J.; Heptonstall, A. W.; Heurs, M.; Hild, S.; Hoak, D.; Hofman, D.; Holt, K.; Holz, D. E.; Hopkins, P.; Hough, J.; Houston, E. A.; Howell, E. J.; Hu, Y. M.; Huang, S.; Huerta, E. A.; Huet, D.; Hughey, B.; Husa, S.; Huttner, S. H.; Huynh-Dinh, T.; Indik, N.; Ingram, D. R.; Inta, R.; Isa, H. N.; Isac, J.-M.; Isi, M.; Isogai, T.; Iyer, B. R.; Izumi, K.; Jacqmin, T.; Jang, H.; Jani, K.; Jaranowski, P.; Jawahar, S.; Jian, L.; Jiménez-Forteza, F.; Johnson, W. W.; Johnson-McDaniel, N. K.; Jones, D. I.; Jones, R.; Jonker, R. J. G.; Ju, L.; K, Haris; Kalaghatgi, C. V.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Kapadia, S. J.; Karki, S.; Karvinen, K. S.; Kasprzack, M.; Katsavounidis, E.; Katzman, W.; Kaufer, S.; Kaur, T.; Kawabe, K.; Kéfélian, F.; Kehl, M. S.; Keitel, D.; Kelley, D. B.; Kells, W.; Kennedy, R.; Key, J. S.; Khalili, F. Y.; Khan, I.; Khan, S.; Khan, Z.; Khazanov, E. A.; Kijbunchoo, N.; Kim, Chi-Woong; Kim, Chunglee; Kim, J.; Kim, K.; Kim, N.; Kim, W.; Kim, Y.-M.; Kimbrell, S. J.; King, E. J.; King, P. J.; Kissel, J. S.; Klein, B.; Kleybolte, L.; Klimenko, S.; Koehlenbeck, S. M.; Koley, S.; Kondrashov, V.; Kontos, A.; Korobko, M.; Korth, W. Z.; Kowalska, I.; Kozak, D. B.; Kringel, V.; Krishnan, B.; Królak, A.; Krueger, C.; Kuehn, G.; Kumar, P.; Kumar, R.; Kuo, L.; Kutynia, A.; Lackey, B. D.; Landry, M.; Lange, J.; Lantz, B.; Lasky, P. D.; Laxen, M.; Lazzarini, A.; Lazzaro, C.; Leaci, P.; Leavey, S.; Lebigot, E. O.; Lee, C. H.; Lee, H. K.; Lee, H. M.; Lee, K.; Lenon, A.; Leonardi, M.; Leong, J. R.; Leroy, N.; Letendre, N.; Levin, Y.; Lewis, J. B.; Li, T. G. F.; Libson, A.; Littenberg, T. B.; Lockerbie, N. A.; Lombardi, A. L.; London, L. T.; Lord, J. E.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J. D.; Lousto, C.; Lück, H.; Lundgren, A. P.; Lynch, R.; Ma, Y.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Magaña-Sandoval, F.; Magaña Zertuche, L.; Magee, R. M.; Majorana, E.; Maksimovic, I.; Malvezzi, V.; Man, N.; Mandel, I.; Mandic, V.; Mangano, V.; Mansell, G. L.; Manske, M.; Mantovani, M.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markosyan, A. S.; Maros, E.; Martelli, F.; Martellini, L.; Martin, I. W.; Martynov, D. V.; Marx, J. N.; Mason, K.; Masserot, A.; Massinger, T. J.; Masso-Reid, M.; Mastrogiovanni, S.; Matichard, F.; Matone, L.; Mavalvala, N.; Mazumder, N.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McGuire, S. C.; McIntyre, G.; McIver, J.; McManus, D. J.; McRae, T.; McWilliams, S. T.; Meacher, D.; Meadors, G. D.; Meidam, J.; Melatos, A.; Mendell, G.; Mercer, R. A.; Merilh, E. L.; Merzougui, M.; Meshkov, S.; Messenger, C.; Messick, C.; Metzdorff, R.; Meyers, P. M.; Mezzani, F.; Miao, H.; Michel, C.; Middleton, H.; Mikhailov, E. E.; Milano, L.; Miller, A. L.; Miller, A.; Miller, B. B.; Miller, J.; Millhouse, M.; Minenkov, Y.; Ming, J.; Mirshekari, S.; Mishra, C.; Mitra, S.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Moggi, A.; Mohan, M.; Mohapatra, S. R. P.; Montani, M.; Moore, B. C.; Moore, C. J.; Moraru, D.; Moreno, G.; Morriss, S. R.; Mossavi, K.; Mours, B.; Mow-Lowry, C. M.; Mueller, G.; Muir, A. W.; Mukherjee, Arunava; Mukherjee, D.; Mukherjee, S.; Mukund, N.; Mullavey, A.; Munch, J.; Murphy, D. J.; Murray, P. G.; Mytidis, A.; Nardecchia, I.; Naticchioni, L.; Nayak, R. K.; Nedkova, K.; Nelemans, G.; Nelson, T. J. N.; Neri, M.; Neunzert, A.; Newton, G.; Nguyen, T. T.; Nielsen, A. B.; Nissanke, S.; Nitz, A.; Nocera, F.; Nolting, D.; Normandin, M. E. N.; Nuttall, L. K.; Oberling, J.; Ochsner, E.; O'Dell, J.; Oelker, E.; Ogin, G. H.; Oh, J. J.; Oh, S. H.; Ohme, F.; Oliver, M.; Oppermann, P.; Oram, Richard J.; O'Reilly, B.; O'Shaughnessy, R.; Ottaway, D. J.; Overmier, H.; Owen, B. J.; Pai, A.; Pai, S. A.; Palamos, J. R.; Palashov, O.; Palomba, C.; Pal-Singh, A.; Pan, H.; Pan, Y.; Pankow, C.; Pannarale, F.; Pant, B. C.; Paoletti, F.; Paoli, A.; Papa, M. A.; Paris, H. R.; Parker, W.; Pascucci, D.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Patricelli, B.; Patrick, Z.; Pearlstone, B. L.; Pedraza, M.; Pedurand, R.; Pekowsky, L.; Pele, A.; Penn, S.; Perreca, A.; Perri, L. M.; Pfeiffer, H. P.; Phelps, M.; Piccinni, O. J.; Pichot, M.; Piergiovanni, F.; Pierro, V.; Pillant, G.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Poe, M.; Poggiani, R.; Popolizio, P.; Porter, E.; Post, A.; Powell, J.; Prasad, J.; Predoi, V.; Prestegard, T.; Price, L. R.; Prijatelj, M.; Principe, M.; Privitera, S.; Prix, R.; Prodi, G. A.; Prokhorov, L.; Puncken, O.; Punturo, M.; Puppo, P.; Pürrer, M.; Qi, H.; Qin, J.; Qiu, S.; Quetschke, V.; Quintero, E. A.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Radkins, H.; Raffai, P.; Raja, S.; Rajan, C.; Rakhmanov, M.; Rapagnani, P.; Raymond, V.; Razzano, M.; Re, V.; Read, J.; Reed, C. M.; Regimbau, T.; Rei, L.; Reid, S.; Reitze, D. H.; Rew, H.; Reyes, S. D.; Ricci, F.; Riles, K.; Rizzo, M.; Robertson, N. A.; Robie, R.; Robinet, F.; Rocchi, A.; Rolland, L.; Rollins, J. G.; Roma, V. J.; Romano, J. D.; Romano, R.; Romanov, G.; Romie, J. H.; Rosińska, D.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Sachdev, S.; Sadecki, T.; Sadeghian, L.; Sakellariadou, M.; Salconi, L.; Saleem, M.; Salemi, F.; Samajdar, A.; Sammut, L.; Sanchez, E. J.; Sandberg, V.; Sandeen, B.; Sanders, J. R.; Sassolas, B.; Sathyaprakash, B. S.; Saulson, P. R.; Sauter, O. E. S.; Savage, R. L.; Sawadsky, A.; Schale, P.; Schilling, R.; Schmidt, J.; Schmidt, P.; Schnabel, R.; Schofield, R. M. S.; Schönbeck, A.; Schreiber, E.; Schuette, D.; Schutz, B. F.; Scott, J.; Scott, S. M.; Sellers, D.; Sengupta, A. S.; Sentenac, D.; Sequino, V.; Sergeev, A.; Setyawati, Y.; Shaddock, D. A.; Shaffer, T.; Shahriar, M. S.; Shaltev, M.; Shapiro, B.; Shawhan, P.; Sheperd, A.; Shoemaker, D. H.; Shoemaker, D. M.; Siellez, K.; Siemens, X.; Sieniawska, M.; Sigg, D.; Silva, A. D.; Singer, A.; Singer, L. P.; Singh, A.; Singh, R.; Singhal, A.; Sintes, A. M.; Slagmolen, B. J. J.; Smith, J. R.; Smith, N. D.; Smith, R. J. E.; Son, E. J.; Sorazu, B.; Sorrentino, F.; Souradeep, T.; Srivastava, A. K.; Staley, A.; Steinke, M.; Steinlechner, J.; Steinlechner, S.; Steinmeyer, D.; Stephens, B. C.; Stevenson, S.; Stone, R.; Strain, K. A.; Straniero, N.; Stratta, G.; Strauss, N. A.; Strigin, S.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Sun, L.; Sunil, S.; Sutton, P. J.; Swinkels, B. L.; Szczepańczyk, M. J.; Tacca, M.; Talukder, D.; Tanner, D. B.; Tápai, M.; Tarabrin, S. P.; Taracchini, A.; Taylor, R.; Theeg, T.; Thirugnanasambandam, M. P.; Thomas, E. G.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thrane, E.; Tiwari, S.; Tiwari, V.; Tokmakov, K. V.; Toland, K.; Tomlinson, C.; Tonelli, M.; Tornasi, Z.; Torres, C. V.; Torrie, C. I.; Töyrä, D.; Travasso, F.; Traylor, G.; Trifirò, D.; Tringali, M. C.; Trozzo, L.; Tse, M.; Turconi, M.; Tuyenbayev, D.; Ugolini, D.; Unnikrishnan, C. S.; Urban, A. L.; Usman, S. A.; Vahlbruch, H.; Vajente, G.; Valdes, G.; Vallisneri, M.; van Bakel, N.; van Beuzekom, M.; van den Brand, J. F. J.; Van Den Broeck, C.; Vander-Hyde, D. C.; van der Schaaf, L.; van Heijningen, J. V.; van Veggel, A. A.; Vardaro, M.; Vass, S.; Vasúth, M.; Vaulin, R.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Venkateswara, K.; Verkindt, D.; Vetrano, F.; Viceré, A.; Vinciguerra, S.; Vine, D. J.; Vinet, J.-Y.; Vitale, S.; Vo, T.; Vocca, H.; Vorvick, C.; Voss, D. V.; Vousden, W. D.; Vyatchanin, S. P.; Wade, A. R.; Wade, L. E.; Wade, M.; Walker, M.; Wallace, L.; Walsh, S.; Wang, G.; Wang, H.; Wang, M.; Wang, X.; Wang, Y.; Ward, R. L.; Warner, J.; Was, M.; Weaver, B.; Wei, L.-W.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Wen, L.; Weßels, P.; Westphal, T.; Wette, K.; Whelan, J. T.; Whitcomb, S. E.; Whiting, B. F.; Williams, R. D.; Williamson, A. R.; Willis, J. L.; Willke, B.; Wimmer, M. H.; Winkler, W.; Wipf, C. C.; Wittel, H.; Woan, G.; Woehler, J.; Worden, J.; Wright, J. L.; Wu, D. S.; Wu, G.; Yablon, J.; Yam, W.; Yamamoto, H.; Yancey, C. C.; Yu, H.; Yvert, M.; ZadroŻny, A.; Zangrando, L.; Zanolin, M.; Zendri, J.-P.; Zevin, M.; Zhang, L.; Zhang, M.; Zhang, Y.; Zhao, C.; Zhou, M.; Zhou, Z.; Zhu, X. J.; Zucker, M. E.; Zuraw, S. E.; Zweizig, J.; LIGO Scientific Collaboration; Virgo Collaboration

2016-10-01

The first observational run of the Advanced LIGO detectors, from September 12, 2015 to January 19, 2016, saw the first detections of gravitational waves from binary black hole mergers. In this paper, we present full results from a search for binary black hole merger signals with total masses up to 100 M⊙ and detailed implications from our observations of these systems. Our search, based on general-relativistic models of gravitational-wave signals from binary black hole systems, unambiguously identified two signals, GW150914 and GW151226, with a significance of greater than 5 σ over the observing period. It also identified a third possible signal, LVT151012, with substantially lower significance and with an 87% probability of being of astrophysical origin. We provide detailed estimates of the parameters of the observed systems. Both GW150914 and GW151226 provide an unprecedented opportunity to study the two-body motion of a compact-object binary in the large velocity, highly nonlinear regime. We do not observe any deviations from general relativity, and we place improved empirical bounds on several high-order post-Newtonian coefficients. From our observations, we infer stellar-mass binary black hole merger rates lying in the range 9 - 240 Gpc-3 yr-1 . These observations are beginning to inform astrophysical predictions of binary black hole formation rates and indicate that future observing runs of the Advanced detector network will yield many more gravitational-wave detections.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, P.K.N.; Lam, P.K.S.; Ng, B.K.P.

The biokinetics of Cs in four compartments in the green-lipped mussel Perna viridis, namely, gill, viscera, adductor muscle, and foot, were studied. First-order linear differential equations were set up for these four compartments, and their solutions were used to fit the experimental data. The parameters governing the biokinetics, which depend on the elimination rate from each compartment and the transfer coefficient between compartments, were found. These are useful in understanding the physiology of Perna viridis, in predicting the activity of cesium in each compartment of Perna viridis from a contamination history, or in using Perna viridis as a sentinel organismmore » for surveying and monitoring radioactive contamination. The results showed that the viscera should be represented by more than one compartment. Concentration factors for the four compartments and for Perna viridis were also determined, and these agreed well with reported values in the literature.« less

GaAs/GaAlAs distributed Bragg reflector laser with a focused ion beam, low dose dopant implanted grating

NASA Technical Reports Server (NTRS)

Wu, M. C.; Boenke, M. M.; Wang, S.; Clark, W. M., Jr.; Stevens, E. H.

1988-01-01

The performance of a GaAs/GaAlAs distributed Bragg reflector (DBR) laser using a focused ion beam implanted grating (FIB-DBR) is reported for the first time. Stripes of Si(2+) with a period of 2300 A and a dose about 10 to the 14th/sq cm are directly implanted into the passive large optical cavity layer to provide the distributed feedback. Surface-emitting light from the second-order grating is observed. Threshold current of 110 mA and single DBR mode operation from 20 to 40 C are obtained. The wavelength tuning rate with temperature is 0.8 A/C. The coupling coefficient is estimated to be 15/cm. The results show that FIB technology is practical for distributed feedback and DBR lasers and optoelectronic integrated circuits.

Water potential changes in faecal matter and Escherichia coli survival.

PubMed

Garfield, L M; Walker, M J

2008-10-01

This study investigated the influence of a range of evaporation rates (2.0, 5.3 and 7.4 mm day(-1)) on degradation of E. coli (ATCC Strain 25922) inoculated in canine faeces. Experiments were carried out in an environmental chamber and a first order exponential decay function (Chick's Law) was used to estimate degradation rates. We estimated die-off coefficients using linear regression. Die-off rates were -0.07, -0.22 and -0.23 h(-1), respectively, for evaporation rates of 2.0, 5.3 and 7.4 mm day(-1) (P = 0.000+, for each model). Nearly complete die-off was found within 15-60 h (7.4-2.0 mm day(-1) evaporation rates), which corresponds with a water potential of approximately -22.4 MPa. This study indicates that canine faeces need not be desiccated to achieve complete loss of indicator organisms. Water potential, which is a combination of osmotic and matric potential, is a key stress that increases as evaporation removes water from the faecal matrix and increases concentration of the remaining faecal solution. Evaporation may remove populations of indicator organisms in faeces relatively quickly, even though faeces are not completely dehydrated. This research may be used as the foundation for studies more closely resembling real-world evaporation conditions including diurnal fluctuations, rewetting and freezing.

Sensitivity analysis of ozone formation and transport for a central California air pollution episode.

PubMed

Jin, Ling; Tonse, Shaheen; Cohan, Daniel S; Mao, Xiaoling; Harley, Robert A; Brown, Nancy J

2008-05-15

We developed a first- and second-order sensitivity analysis approach with the decoupled direct method to examine spatial and temporal variations of ozone-limiting reagents and the importance of local vs upwind emission sources in the San Joaquin Valley of central California for a 5 day ozone episode (Jul 29th to Aug 3rd, 2000). Despite considerable spatial variations, nitrogen oxides (NO(x)) emission reductions are overall more effective than volatile organic compound (VOC) control for attaining the 8 h ozone standard in this region for this episode, in contrast to the VOC control that works better for attaining the prior 1 h ozone standard. Interbasin source contributions of NO(x) emissions are limited to the northern part of the SJV, while anthropogenic VOC (AVOC) emissions, especially those emitted at night, influence ozone formation in the SJV further downwind. Among model input parameters studied here, uncertainties in emissions of NO(x) and AVOC, and the rate coefficient of the OH + NO2 termination reaction, have the greatest effect on first-order ozone responses to changes in NO(x) emissions. Uncertainties in biogenic VOC emissions only have a modest effect because they are generally not collocated with anthropogenic sources in this region.

Experimental determination of surface heat transfer coefficient in a dry ice-ethanol cooling bath using a numerical approach.

PubMed

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

BACKGROUND: Dry ice-ethanol bath (-78 degree C) have been widely used in low temperature biological research to attain rapid cooling of samples below freezing temperature. The prediction of cooling rates of biological samples immersed in dry ice-ethanol bath is of practical interest in cryopreservation. The cooling rate can be obtained using mathematical models representing the heat conduction equation in transient state. Additionally, at the solid cryogenic-fluid interface, the knowledge of the surface heat transfer coefficient (h) is necessary for the convective boundary condition in order to correctly establish the mathematical problem. The study was to apply numerical modeling to obtain the surface heat transfer coefficient of a dry ice-ethanol bath. A numerical finite element solution of heat conduction equation was used to obtain surface heat transfer coefficients from measured temperatures at the center of polytetrafluoroethylene and polymethylmetacrylate cylinders immersed in a dry ice-ethanol cooling bath. The numerical model considered the temperature dependence of thermophysical properties of plastic materials used. A negative linear relationship is observed between cylinder diameter and heat transfer coefficient in the liquid bath, the calculated h values were 308, 135 and 62.5 W/(m 2 K) for PMMA 1.3, PTFE 2.59 and 3.14 cm in diameter, respectively. The calculated heat transfer coefficients were consistent among several replicates; h in dry ice-ethanol showed an inverse relationship with cylinder diameter.

An Experimental and Master Equation Study of the Kinetics of OH/OD + SO2: The Limiting High-Pressure Rate Coefficients.

PubMed

Blitz, Mark A; Salter, Robert J; Heard, Dwayne E; Seakins, Paul W

2017-05-04

The kinetics of the reaction OH/OD + SO 2 were studied using a laser flash photolysis/laser-induced fluorescence technique. Evidence for two-photon photolysis of SO 2 at 248 nm is presented and quantified, and which appears to have been evident to some extent in most previous photolysis studies, potentially leading to values for the rate coefficient k 1 that are too large. The kinetics of the reaction OH(v = 0) + SO 2 (T = 295 K, p = 25-300 torr) were measured under conditions where SO 2 photolysis was taken into account. These results, together with literature data, were modeled using a master equation analysis. This analysis highlighted problems with the literature data: the rate coefficients derived from flash photolysis data were generally too high and from the flow tube data too low. Our best estimate of the high-pressure limiting rate coefficient k 1 ∞ was obtained from selected data and gives a value of (7.8 ± 2.2) × 10 -13 cm 3 molecule -1 s -1 , which is lower than that recommended in the literature. A parametrized form of k 1 ([N 2 ],T) is provided. The OD(v = 0) + SO 2 (T = 295 K, p = 25-300 torr) data are reported for the first time, and master equation analysis reinforces our assignment of k 1 ∞ .

Compensation for first-order polarization-mode dispersion by using a novel tunable compensator

NASA Astrophysics Data System (ADS)

Qiu, Feng; Ning, Tigang; Pei, Shanshan; Xing, Yujun; Jian, Shuisheng

2005-01-01

Polarization-related impairments have become a critical issue for high-data-rate optical systems, particularly when considering polarization-mode dispersion (PMD). Consequently, compensation of PMD, especially for the first-order PMD is necessary to maintain adequate performance in long-haul systems at a high bit rate of 10 Gb/s or beyond. In this paper, we successfully demonstrated automatic and tunable compensation for first-order polarization-mode dispersion. Furthermore, we reported the statistical assessment of this tunable compensator at 10 Gbit/s. Experimental results, including bit error rate measurements, are successfully compared with theory, therefore demonstrating the compensator efficiency at 10 Gbit/s. The first-order PMD was max 274 ps before PMD compensation, and it was lower than 7ps after PMD compensation.

Determination of astaxanthin in Haematococcus pluvialis by first-order derivative spectrophotometry.

PubMed

Liu, Xiao Juan; Juan, Liu Xiao; Wu, Ying Hua; Hua, Wu Ying; Zhao, Li Chao; Chao, Zhao Li; Xiao, Su Yao; Yao, Xiao Su; Zhou, Ai Mei; Mei, Zhou Ai; Liu, Xin; Xin, Liu

2011-01-01

A highly selective, convenient, and precise method, first-order derivative spectrophotometry, was applied for the determination of astaxanthin in Haematococcus pluvialis. Ethyl acetate and ethanol (1:1, v/v) were found to be the best extraction solvent tested due to their high efficiency and low toxicity compared with nine other organic solvents. Astaxanthin coexisting with chlorophyll and beta-carotene was analyzed by first-order derivative spectrophotometry in order to optimize the conditions for the determination of astaxanthin. The results show that when detected at 432 nm, the interfering substances could be eliminated. The dynamic linear range was 2.0-8.0 microg/mL, with a correlation coefficient of 0.9916. The detection threshold was 0.41 microg/mL. The RSD for the determination of astaxanthin was in the range of 0.01-0.06%; the results of recovery test were 98.1-108.0%. The statistical analysis between first-order derivative spectrophotometry and HPLC by T-testing did not exceed their critical values, revealing no significant differences between these two methods. It was proved that first-order derivative spectrophotometry is a rapid and convenient method for the determination of astaxanthin in H. pluvialis that can eliminate the negative effect resulting from the coexistence of astaxanthin with chlorophyll and beta-carotene.

Magnetic models for the United States for 1985

USGS Publications Warehouse

Peddie, Norman W.; Zunde, Audronis K.

1990-01-01

New models describing the magnetic field in the United States at the beginning of 1985 and the rate of change expected during the next few years have been developed. The models--which will serve as the basis for a new set of magnetic charts--were derived from several tens of thousands of original field measurements from land, marine, and aerial surveys; from values derived from the MAGSAT-based International Geomagnetic Reference Field; and from recent data from magnetic observatories and repeat stations. , They are in the form of spherical harmonic series that represent the scalar magnetic potential from which all the field components can be derived. The models for the conterminous States and Alaska are of maximum degree and order 4 (24 coefficients each) and the models for Hawaii are of maximum degree and order 2 (8 coefficients each).

Recurrences and explicit formulae for the expansion and connection coefficients in series of Bessel polynomials

NASA Astrophysics Data System (ADS)

Doha, E. H.; Ahmed, H. M.

2004-08-01

A formula expressing explicitly the derivatives of Bessel polynomials of any degree and for any order in terms of the Bessel polynomials themselves is proved. Another explicit formula, which expresses the Bessel expansion coefficients of a general-order derivative of an infinitely differentiable function in terms of its original Bessel coefficients, is also given. A formula for the Bessel coefficients of the moments of one single Bessel polynomial of certain degree is proved. A formula for the Bessel coefficients of the moments of a general-order derivative of an infinitely differentiable function in terms of its Bessel coefficients is also obtained. Application of these formulae for solving ordinary differential equations with varying coefficients, by reducing them to recurrence relations in the expansion coefficients of the solution, is explained. An algebraic symbolic approach (using Mathematica) in order to build and solve recursively for the connection coefficients between Bessel-Bessel polynomials is described. An explicit formula for these coefficients between Jacobi and Bessel polynomials is given, of which the ultraspherical polynomial and its consequences are important special cases. Two analytical formulae for the connection coefficients between Laguerre-Bessel and Hermite-Bessel are also developed.

Study on loading coefficient in steam explosion process of corn stalk.

PubMed

Sui, Wenjie; Chen, Hongzhang

2015-03-01

The object of this work was to evaluate the effect of loading coefficient on steam explosion process and efficacy of corn stalk. Loading coefficient's relation with loading pattern and material property was first revealed, then its effect on transfer process and pretreatment efficacy of steam explosion was assessed by established models and enzymatic hydrolysis tests, respectively, in order to propose its optimization strategy for improving the process economy. Results showed that loading coefficient was mainly determined by loading pattern, moisture content and chip size. Both compact loading pattern and low moisture content improved the energy efficiency of steam explosion pretreatment and overall sugar yield of pretreated materials, indicating that they are desirable to improve the process economy. Pretreatment of small chip size showed opposite effects in pretreatment energy efficiency and enzymatic hydrolysis performance, thus its optimization should be balanced in investigated aspects according to further techno-economical evaluation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Quantitative Analysis of Clopidogrel Bisulphate and Aspirin by First Derivative Spectrophotometric Method in Tablets

PubMed Central

Game, Madhuri D.; Gabhane, K. B.; Sakarkar, D. M.

2010-01-01

A simple, accurate and precise spectrophotometric method has been developed for simultaneous estimation of clopidogrel bisulphate and aspirin by employing first order derivative zero crossing method. The first order derivative absorption at 232.5 nm (zero cross point of aspirin) was used for clopidogrel bisulphate and 211.3 nm (zero cross point of clopidogrel bisulphate) for aspirin.Both the drugs obeyed linearity in the concentration range of 5.0 μg/ml to 25.0 μg/ml (correlation coefficient r2<1). No interference was found between both determined constituents and those of matrix. The method was validated statistically and recovery studies were carried out to confirm the accuracy of the method. PMID:21969765

The effect of toxic carbon source on the reaction of activated sludge in the batch reactor.

PubMed

Wu, Changyong; Zhou, Yuexi; Zhang, Siyu; Xu, Min; Song, Jiamei

2018-03-01

The toxic carbon source can cause higher residual effluent dissolved organic carbon than easily biodegraded carbon source in activated sludge process. In this study, an integrated activated sludge model is developed as the tool to understand the mechanism of toxic carbon source (phenol) on the reaction, regarding the carbon flows during the aeration period in the batch reactor. To estimate the toxic function of phenol, the microbial cells death rate (k death ) is introduced into the model. The integrated model was calibrated and validated by the experimental data and it was found the model simulations matched the all experimental measurements. In the steady state, the toxicity of phenol can result in higher microbial cells death rate (0.1637 h -1 vs 0.0028 h -1 ) and decay rate coefficient of biomass (0.0115 h -1 vs 0.0107 h -1 ) than acetate. In addition, the utilization-associated products (UAP) and extracellular polymeric substances (EPS) formation coefficients of phenol are higher than that of acetate, indicating that more carbon flows into the extracellular components, such as soluble microbial products (SMP), when degrading toxic organics. In the non-steady state of feeding phenol, the yield coefficient for growth and maximum specific growth rate are very low in the first few days (1-10 d), while the decay rate coefficient of biomass and microbial cells death rate are relatively high. The model provides insights into the difference of the dynamic reaction with different carbon sources in the batch reactor. Copyright © 2017 Elsevier Ltd. All rights reserved.

Results from Radio Tracking the Rosetta Spacecraft: Gravity, Internal Structure and Nucleus Composition of 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Hahn, M.; Andert, T.; Asmar, S.; Bird, M. K.; Häusler, B.; Peter, K.; Tellmann, S.; Weissman, P. R.; Barriot, J. P.; Sierks, H.

2017-12-01

When Rosetta arrived at its target comet 67P/Churyumov-Gerasimenko it first performed a series of distant flybys (100 - 30 km). During this mission phase the mass of the comets nucleus could be determined by analyzing the RSI radio tracking data. In combination with the volume from images of the OSIRIS camera this resulted in a precise bulk density determination. That already gave first insights into the comets interior structure. The nucleus appears to be a low-density, highly porous dusty body. From bound orbits with distances below 30 km the low degree and order gravity field coefficients could be derived. The gravity field coefficients strongly depend on the nucleus irregular shape and on the interior mass distribution. The shape is very well reconstructed from of the OSIRIS camera images. Various models of the interior nucleus structure and density distributions are used to compute simulated values of the gravity field coefficients. A comparison with the observed coefficients yields the feasibility of the theoretical interior structure. Thus, the gravity field helps constraining models of the internal structure, the composition and also of the origin and formation of the comets nucleus.

Evaluation of the kinetic oxidation of aqueous volatile organic compounds by permanganate.

PubMed

Mahmoodlu, Mojtaba G; Hassanizadeh, S Majid; Hartog, Niels

2014-07-01

The use of permanganate solutions for in-situ chemical oxidation (ISCO) is a well-established groundwater remediation technology, particularly for targeting chlorinated ethenes. The kinetics of oxidation reactions is an important ISCO remediation design aspect that affects the efficiency and oxidant persistence. The overall rate of the ISCO reaction between oxidant and contaminant is typically described using a second-order kinetic model while the second-order rate constant is determined experimentally by means of a pseudo first order approach. However, earlier studies of chlorinated hydrocarbons have yielded a wide range of values for the second-order rate constants. Also, there is limited insight in the kinetics of permanganate reactions with fuel-derived groundwater contaminants such as toluene and ethanol. In this study, batch experiments were carried out to investigate and compare the oxidation kinetics of aqueous trichloroethylene (TCE), ethanol, and toluene in an aqueous potassium permanganate solution. The overall second-order rate constants were determined directly by fitting a second-order model to the data, instead of typically using the pseudo-first-order approach. The second-order reaction rate constants (M(-1) s(-1)) for TCE, toluene, and ethanol were 8.0×10(-1), 2.5×10(-4), and 6.5×10(-4), respectively. Results showed that the inappropriate use of the pseudo-first-order approach in several previous studies produced biased estimates of the second-order rate constants. In our study, this error was expressed as a function of the extent (P/N) in which the reactant concentrations deviated from the stoichiometric ratio of each oxidation reaction. The error associated with the inappropriate use of the pseudo-first-order approach is negatively correlated with the P/N ratio and reached up to 25% of the estimated second-order rate constant in some previous studies of TCE oxidation. Based on our results, a similar relation is valid for the other volatile organic compounds studied. Copyright © 2013 Elsevier B.V. All rights reserved.

Identifying presence of correlated errors in GRACE monthly harmonic coefficients using machine learning algorithms

NASA Astrophysics Data System (ADS)

Piretzidis, Dimitrios; Sra, Gurveer; Karantaidis, George; Sideris, Michael G.

2017-04-01

A new method for identifying correlated errors in Gravity Recovery and Climate Experiment (GRACE) monthly harmonic coefficients has been developed and tested. Correlated errors are present in the differences between monthly GRACE solutions, and can be suppressed using a de-correlation filter. In principle, the de-correlation filter should be implemented only on coefficient series with correlated errors to avoid losing useful geophysical information. In previous studies, two main methods of implementing the de-correlation filter have been utilized. In the first one, the de-correlation filter is implemented starting from a specific minimum order until the maximum order of the monthly solution examined. In the second one, the de-correlation filter is implemented only on specific coefficient series, the selection of which is based on statistical testing. The method proposed in the present study exploits the capabilities of supervised machine learning algorithms such as neural networks and support vector machines (SVMs). The pattern of correlated errors can be described by several numerical and geometric features of the harmonic coefficient series. The features of extreme cases of both correlated and uncorrelated coefficients are extracted and used for the training of the machine learning algorithms. The trained machine learning algorithms are later used to identify correlated errors and provide the probability of a coefficient series to be correlated. Regarding SVMs algorithms, an extensive study is performed with various kernel functions in order to find the optimal training model for prediction. The selection of the optimal training model is based on the classification accuracy of the trained SVM algorithm on the same samples used for training. Results show excellent performance of all algorithms with a classification accuracy of 97% - 100% on a pre-selected set of training samples, both in the validation stage of the training procedure and in the subsequent use of the trained algorithms to classify independent coefficients. This accuracy is also confirmed by the external validation of the trained algorithms using the hydrology model GLDAS NOAH. The proposed method meet the requirement of identifying and de-correlating only coefficients with correlated errors. Also, there is no need of applying statistical testing or other techniques that require prior de-correlation of the harmonic coefficients.

Graph characterization via Ihara coefficients.

PubMed

Ren, Peng; Wilson, Richard C; Hancock, Edwin R

2011-02-01

The novel contributions of this paper are twofold. First, we demonstrate how to characterize unweighted graphs in a permutation-invariant manner using the polynomial coefficients from the Ihara zeta function, i.e., the Ihara coefficients. Second, we generalize the definition of the Ihara coefficients to edge-weighted graphs. For an unweighted graph, the Ihara zeta function is the reciprocal of a quasi characteristic polynomial of the adjacency matrix of the associated oriented line graph. Since the Ihara zeta function has poles that give rise to infinities, the most convenient numerically stable representation is to work with the coefficients of the quasi characteristic polynomial. Moreover, the polynomial coefficients are invariant to vertex order permutations and also convey information concerning the cycle structure of the graph. To generalize the representation to edge-weighted graphs, we make use of the reduced Bartholdi zeta function. We prove that the computation of the Ihara coefficients for unweighted graphs is a special case of our proposed method for unit edge weights. We also present a spectral analysis of the Ihara coefficients and indicate their advantages over other graph spectral methods. We apply the proposed graph characterization method to capturing graph-class structure and clustering graphs. Experimental results reveal that the Ihara coefficients are more effective than methods based on Laplacian spectra.

Experimental Investigation of Hysteretic Dynamic Capillarity Effect in Unsaturated Flow

NASA Astrophysics Data System (ADS)

Zhuang, Luwen; Hassanizadeh, S. Majid; Qin, Chao-Zhong; de Waal, Arjen

2017-11-01

The difference between average pressures of two immiscible fluids is commonly assumed to be the same as macroscopic capillary pressure, which is considered to be a function of saturation only. However, under transient conditions, a dependence of this pressure difference on the time rate of saturation change has been observed by many researchers. This is commonly referred to as dynamic capillarity effect. As a first-order approximation, the dynamic term is assumed to be linearly dependent on the time rate of change of saturation, through a material coefficient denoted by τ. In this study, a series of laboratory experiments were carried out to quantify the dynamic capillarity effect in an unsaturated sandy soil. Primary, main, and scanning drainage experiments, under both static and dynamic conditions, were performed on a sandy soil in a small cell. The value of the dynamic capillarity coefficient τ was calculated from the air-water pressure differences and average saturation values during static and dynamic drainage experiments. We found a dependence of τ on saturation, which showed a similar trend for all drainage conditions. However, at any given saturation, the value of τ for primary drainage was larger than the value for main drainage and that was in turn larger than the value for scanning drainage. Each data set was fit a simple log-linear equation, with different values of fitting parameters. This nonuniqueness of the relationship between τ and saturation and possible causes is discussed.

Inter-track interference mitigation with two-dimensional variable equalizer for bit patterned media recording

NASA Astrophysics Data System (ADS)

Wang, Yao; Vijaya Kumar, B. V. K.

2017-05-01

The increased track density in bit patterned media recording (BPMR) causes increased inter-track interference (ITI), which degrades the bit error rate (BER) performance. In order to mitigate the effect of the ITI, signals from multiple tracks can be equalized by a 2D equalizer with 1D target. Usually, the 2D fixed equalizer coefficients are obtained by using a pseudo-random bit sequence (PRBS) for training. In this study, a 2D variable equalizer is proposed, where various sets of 2D equalizer coefficients are predetermined and stored for different ITI patterns besides the usual PRBS training. For data detection, as the ITI patterns are unknown in the first global iteration, the main and adjacent tracks are equalized with the conventional 2D fixed equalizer, detected with Bahl-Cocke-Jelinek-Raviv (BCJR) detector and decoded with low-density parity-check (LDPC) decoder. Then using the estimated bit information from main and adjacent tracks, the ITI pattern for each island of the main track can be estimated and the corresponding 2D variable equalizers are used to better equalize the bits on the main track. This process is executed iteratively by feeding back the main track information. Simulation results indicate that for both single-track and two-track detection, the proposed 2D variable equalizer can achieve better BER and frame error rate (FER) compared to that with the 2D fixed equalizer.

Review of the dynamic behaviour of sports balls during normal and oblique impacts

NASA Astrophysics Data System (ADS)

Haron, Muhammad Adli; Jailani, Azrol; Abdullah, Nik Ahmad Faris Nik; Ismail, Rafis Suizwan; Rahim, Shayfull Zamree Abd; Ghazali, Mohd Fathullah

2017-09-01

In this paper are review of impact experiment to study the dynamic behaviour of sports ball during oblique and normal impacts. In previous studies, the investigation was done on the dynamic behaviour of a sports ball during oblique and normal impacts from experimental, numerical, and theoretical viewpoints. The experimental results are analysed and compared with the theories, in order to understand the dynamics behaviours based on the phenomenological occurrence. Throughout the experimental studies previously, there are results of dynamics behaviours examined by many researchers such as the coefficient of restitution, tangential coefficient, local deformation, dynamic impact force, contact time, angle of impact (inbound and rebound), spin rate of the ball, ball stiffness and damping coefficient which dependable of the initial or impact velocity.

Discontinuous Galerkin finite element method for the nonlinear hyperbolic problems with entropy-based artificial viscosity stabilization

NASA Astrophysics Data System (ADS)

Zingan, Valentin Nikolaevich

This work develops a discontinuous Galerkin finite element discretization of non- linear hyperbolic conservation equations with efficient and robust high order stabilization built on an entropy-based artificial viscosity approximation. The solutions of equations are represented by elementwise polynomials of an arbitrary degree p > 0 which are continuous within each element but discontinuous on the boundaries. The discretization of equations in time is done by means of high order explicit Runge-Kutta methods identified with respective Butcher tableaux. To stabilize a numerical solution in the vicinity of shock waves and simultaneously preserve the smooth parts from smearing, we add some reasonable amount of artificial viscosity in accordance with the physical principle of entropy production in the interior of shock waves. The viscosity coefficient is proportional to the local size of the residual of an entropy equation and is bounded from above by the first-order artificial viscosity defined by a local wave speed. Since the residual of an entropy equation is supposed to be vanishingly small in smooth regions (of the order of the Local Truncation Error) and arbitrarily large in shocks, the entropy viscosity is almost zero everywhere except the shocks, where it reaches the first-order upper bound. One- and two-dimensional benchmark test cases are presented for nonlinear hyperbolic scalar conservation laws and the system of compressible Euler equations. These tests demonstrate the satisfactory stability properties of the method and optimal convergence rates as well. All numerical solutions to the test problems agree well with the reference solutions found in the literature. We conclude that the new method developed in the present work is a valuable alternative to currently existing techniques of viscous stabilization.

Mass transfer inside a flux hood for the sampling of gaseous emissions from liquid surfaces - Experimental assessment and emission rate rescaling

NASA Astrophysics Data System (ADS)

Prata, Ademir A.; Lucernoni, Federico; Santos, Jane M.; Capelli, Laura; Sironi, Selena; Le-Minh, Nhat; Stuetz, Richard M.

2018-04-01

This study assesses the mass transfer of compounds inside the US EPA flux hood, one of the enclosure devices most commonly employed for the direct measurement of atmospheric emissions from liquid surfaces in wastewater treatment plants (WWTPs). Experiments comprised the evaporation of water and the volatilisation of a range of volatile organic compounds (VOCs). Special attention was given to the evaluation of the mass transfer coefficients in the microenvironment created by the flux hood and the effects of concentration build up in the hood's headspace. The VOCs emission rates and the water evaporation rates generally increased with the sweep air flow rate, as did the mass transfer coefficients for all compounds. The emission of compounds whose volatilisation is significantly influenced by the gas phase was greatly affected by concentration build up, whereas this effect was not significant for liquid phase-controlled compounds. The gas-film mass transfer coefficient (kG) estimated inside the US EPA flux hood was of the same order as the respective kG reported in the literature for wind tunnel-type devices, but the emission rates measured by the flux hood can be expected to be lower, due to the concentration build-up. Compared against an emission model for the passive surfaces in WWTPs, the mass transfer of acetic acid (representing a gas phase-dominated compound) inside the US EPA flux hood was equivalent to conditions of wind speeds at 10 m height (U10) of 0.27, 0.51 and 0.99 m s-1, respectively, for sweep air flow rates of 2, 5 and 10 L min-1. On the other hand, for higher wind speeds, the emission rates of gas phase-controlled compounds obtained with the flux hood can be considerably underestimated: for instance, at U10 = 5 m s-1, the emission rates of acetic acid inside the flux hood would be approximately 23, 12 and 6 times lower than the emission rates in the field, for sweep air flow rates of 2, 5 and 10 L min-1, respectively. A procedure is presented in order to scale the emission rates of these compounds measured with the flux hood to field conditions of higher winds.

Quantifying hyporheic exchange at high spatial resolution using natural temperature variations along a first-order stream

NASA Astrophysics Data System (ADS)

Westhoff, M. C.; Gooseff, M. N.; Bogaard, T. A.; Savenije, H. H. G.

2011-10-01

Hyporheic exchange is an important process that underpins stream ecosystem function, and there have been numerous ways to characterize and quantify exchange flow rates and hyporheic zone size. The most common approach, using conservative stream tracer experiments and 1-D solute transport modeling, results in oversimplified representations of the system. Here we present a new approach to quantify hyporheic exchange and the size of the hyporheic zone (HZ) using high-resolution temperature measurements and a coupled 1-D transient storage and energy balance model to simulate in-stream water temperatures. Distributed temperature sensing was used to observe in-stream water temperatures with a spatial and temporal resolution of 2 and 3 min, respectively. The hyporheic exchange coefficient (which describes the rate of exchange) and the volume of the HZ were determined to range between 0 and 2.7 × 10-3 s-1 and 0 and 0.032 m3 m-1, respectively, at a spatial resolution of 1-10 m, by simulating a time series of in-stream water temperatures along a 565 m long stretch of a small first-order stream in central Luxembourg. As opposed to conventional stream tracer tests, two advantages of this approach are that exchange parameters can be determined for any stream segment over which data have been collected and that the depth of the HZ can be estimated as well. Although the presented method was tested on a small stream, it has potential for any stream where rapid (in regard to time) temperature change of a few degrees can be obtained.

Development and validation of different methods manipulating zero order and first order spectra for determination of the partially overlapped mixture benazepril and amlodipine: A comparative study

NASA Astrophysics Data System (ADS)

Hemdan, A.

2016-07-01

Three simple, selective, and accurate spectrophotometric methods have been developed and then validated for the analysis of Benazepril (BENZ) and Amlodipine (AML) in bulk powder and pharmaceutical dosage form. The first method is the absorption factor (AF) for zero order and amplitude factor (P-F) for first order spectrum, where both BENZ and AML can be measured from their resolved zero order spectra at 238 nm or from their first order spectra at 253 nm. The second method is the constant multiplication coupled with constant subtraction (CM-CS) for zero order and successive derivative subtraction-constant multiplication (SDS-CM) for first order spectrum, where both BENZ and AML can be measured from their resolved zero order spectra at 240 nm and 238 nm, respectively, or from their first order spectra at 214 nm and 253 nm for Benazepril and Amlodipine respectively. The third method is the novel constant multiplication coupled with derivative zero crossing (CM-DZC) which is a stability indicating assay method for determination of Benazepril and Amlodipine in presence of the main degradation product of Benazepril which is Benazeprilate (BENZT). The three methods were validated as per the ICH guidelines and the standard curves were found to be linear in the range of 5-60 μg/mL for Benazepril and 5-30 for Amlodipine, with well accepted mean correlation coefficient for each analyte. The intra-day and inter-day precision and accuracy results were well within the acceptable limits.

Development and validation of different methods manipulating zero order and first order spectra for determination of the partially overlapped mixture benazepril and amlodipine: A comparative study.

PubMed

Hemdan, A

2016-07-05

Three simple, selective, and accurate spectrophotometric methods have been developed and then validated for the analysis of Benazepril (BENZ) and Amlodipine (AML) in bulk powder and pharmaceutical dosage form. The first method is the absorption factor (AF) for zero order and amplitude factor (P-F) for first order spectrum, where both BENZ and AML can be measured from their resolved zero order spectra at 238nm or from their first order spectra at 253nm. The second method is the constant multiplication coupled with constant subtraction (CM-CS) for zero order and successive derivative subtraction-constant multiplication (SDS-CM) for first order spectrum, where both BENZ and AML can be measured from their resolved zero order spectra at 240nm and 238nm, respectively, or from their first order spectra at 214nm and 253nm for Benazepril and Amlodipine respectively. The third method is the novel constant multiplication coupled with derivative zero crossing (CM-DZC) which is a stability indicating assay method for determination of Benazepril and Amlodipine in presence of the main degradation product of Benazepril which is Benazeprilate (BENZT). The three methods were validated as per the ICH guidelines and the standard curves were found to be linear in the range of 5-60μg/mL for Benazepril and 5-30 for Amlodipine, with well accepted mean correlation coefficient for each analyte. The intra-day and inter-day precision and accuracy results were well within the acceptable limits. Copyright © 2016 Elsevier B.V. All rights reserved.

Ion pair and solvation dynamics of [Bmim][BF4 ] + water system.

PubMed

Cascão, João; Silva, Wagner; Ferreira, Ana S D; Cabrita, Eurico J

2018-02-01

In this work, 1-butyl-3-methylimidazolium tetrafluoroborate/water mixtures were analysed over the whole water composition (x w ) in order to study the rotational and translational behaviour of the ions. We employed a multinuclear NMR approach to determine anion/cation/water diffusion coefficients and longitudinal relaxation rates at different water content. In neat ionic liquids (IL), the cation diffuses faster than the anion, and at low x w , anions and cations share almost the same diffusion coefficient, but above a critical water concentration, the anion begins to diffuse faster than the cation. We identified this composition as approximately 10% x w where the ions share the same diffusion coefficient. We found that the water at this composition seems to have a much more dramatic effect in the rotational diffusion of the anion that decreases substantially and approaches that of the anion in the diluted IL. Translational and rotational dynamics of the ions suggest that water is first incorporated in pockets in the nanostructure of the IL allowing the ions to maintain most of the cation/anion interactions present in neat IL but already disrupting some anion/cation interactions due to preferential interaction with the anion. HOESY and NOESY data show that water displays contacts both with the cation and the anion in a positive NOE regime in contrary to the negative regime found for the cation/anion and cation/cation cross-relaxation. This is in accordance with the high relative diffusion coefficient of water and suggests that water molecules can exchange between preferential location sites that allow water to maintain contacts both with the anion and cation. Copyright © 2017 John Wiley & Sons, Ltd.

Validation of the French version of the Burn Specific Health Scale-Brief (BSHS-B) questionnaire.

PubMed

Gandolfi, S; Auquit-Auckbur, I; Panunzi, S; Mici, E; Grolleau, J-L; Chaput, B

2016-11-01

The Burn Specific Health Scale-Brief questionnaire is a widely validated tool for estimating the health related quality of life and for assessing the best multidisciplinary management of burn patients. The aim of this study was to translate the BSHS-B into French and to investigate its reliability and validity. According to the procedure proposed by the Scientific Advisory Committee of the Medical Outcomes Trust, the Burn Specific Health Scale-Brief (BSHS-B) was translated from the English version into French. In order to test the reliability of the French version of the BSHS-B, 53 burn patients French speakers completed the BSHS-B and SF-36 questionnaires from two to four years after burn. Ten of them have been re-tested at 6 months after the first evaluation. To evaluate clinical utility of the BSHS-F, internal consistency, construct validity (using SF-36) and stability in time were assessed using Cronbach's alpha statistic, Spearman rank test, and intra-class correlation coefficient respectively. The French version of the BSHS-B Cronbach's alpha coefficient was 0.93 and was >0.80 for all the sub-domains. French version of the BSHS-B and the SF-36 were positively correlated, all the associations were statistically significant (p<0.01). Intra-class correlation coefficients for test-retest ranged between 0.95 and 0.99 for the sub-domains. The intra-class correlation coefficient (ICC) for the total score was 0.98. The French version of the BSHS-B shows a robust rate of internal consistency, construct validity and stability in time, supporting its application in routine clinical practice as well as in international studies. Copyright © 2016 Elsevier Ltd and ISBI. All rights reserved.

Random attractor of non-autonomous stochastic Boussinesq lattice system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Min, E-mail: zhaomin1223@126.com; Zhou, Shengfan, E-mail: zhoushengfan@yahoo.com

2015-09-15

In this paper, we first consider the existence of tempered random attractor for second-order non-autonomous stochastic lattice dynamical system of nonlinear Boussinesq equations effected by time-dependent coupled coefficients and deterministic forces and multiplicative white noise. Then, we establish the upper semicontinuity of random attractors as the intensity of noise approaches zero.

Some Advanced Concepts in Discrete Aerodynamic Sensitivity Analysis

NASA Technical Reports Server (NTRS)

Taylor, Arthur C., III; Green, Lawrence L.; Newman, Perry A.; Putko, Michele M.

2001-01-01

An efficient incremental-iterative approach for differentiating advanced flow codes is successfully demonstrated on a 2D inviscid model problem. The method employs the reverse-mode capability of the automatic- differentiation software tool ADIFOR 3.0, and is proven to yield accurate first-order aerodynamic sensitivity derivatives. A substantial reduction in CPU time and computer memory is demonstrated in comparison with results from a straight-forward, black-box reverse- mode application of ADIFOR 3.0 to the same flow code. An ADIFOR-assisted procedure for accurate second-order aerodynamic sensitivity derivatives is successfully verified on an inviscid transonic lifting airfoil example problem. The method requires that first-order derivatives are calculated first using both the forward (direct) and reverse (adjoint) procedures; then, a very efficient non-iterative calculation of all second-order derivatives can be accomplished. Accurate second derivatives (i.e., the complete Hessian matrices) of lift, wave-drag, and pitching-moment coefficients are calculated with respect to geometric- shape, angle-of-attack, and freestream Mach number

Tropospheric temperature measurements using a rotational raman lidar

NASA Astrophysics Data System (ADS)

Lee, Robert Benjamin, III

Using the Hampton University (HU) Mie and Raman lidar, tropospheric temperature profiles were inferred from lidar measurements of anti-Stokes rotational Raman (RR) backscattered laser light from atmospheric nitrogen and oxygen molecules. The molecules were excited by 354.7 nanometer (nm) laser light emitted by the HU lidar. Averaged over 60-minute intervals, RR backscattered signals were detected in narrow 353.35 nm and 354.20 nm spectral bands with full-widths-at-half-maxima (FWHM) of 0.3 nm. During the special April 19-30, 2012, Ground-Based Remote Atmospheric Sounding Program (GRASP) campaign, the lidar temperature calibration coefficients were empirically derived using linear least squares and second order polynomial analyses of the lidar backscattered RR signals and of reference temperature profiles, obtained from radiosondes. The GRASP radiosondes were launched within 400 meters of the HU lidar site. Lidar derived temperature profiles were obtained at altitudes from the surface to over 18 kilometers (km) at night, and up to 5 km during the day. Using coefficients generated from least squares analyses, nighttime profiles were found to agree with profiles from reference radiosonde measurements within 3 K, at altitudes between 4 km and 9 km. Coefficients generated from the second order analyses yielded profiles which agreed with the reference profiles within 1 K uncertainty level in the 4 km to 10 km altitude region. Using profiles from GRASP radiosondes, the spatial and temporal homogeneities of the atmosphere, over HU, were estimated at the 1.5 K level within a 10 km radius of HU, and for observational periods approaching 3 hours. Theoretical calibration coefficients were derived from the optical and physical properties of the HU RR lidar and from the spectroscopic properties of atmospheric molecular nitrogen and oxygen. The theoretical coefficients along with lidar measurements of sky background radiances were used to evaluate the temporal stability of the empirically derived temperature profiles from the RR lidar measurements. The evaluations revealed systematic drifts in the coefficients. Frequent reference radiosonde temperature profiles should be used to correct for the drifts in the coefficients. For the first time, the cause of the coefficient drifts has been identified as the differences in the aging of the spectral responses of the HU lidar detector pairs. For the first time, the use of lidar sky background measurements was demonstrated as a useful technique to correct for the coefficient drift. This research should advance the derivations of lidar temperature calibration coefficients which can be used for long observational periods of temperature fields without the need for frequent lidar calibrations using radiosondes.

Sustainable long-term conservation of rare cattle breeds using rotational AI sires

PubMed Central

Colleau, Jean-Jacques; Avon, Laurent

2008-01-01

The development of inbreeding in rotation breeding schemes, sequentially using artificial insemination (AI) sires over generations, was investigated for a full AI scheme. Asymptotic prediction formulae of inbreeding coefficients were established when the first rotation list of AI sires (possibly related) was in use. Simulated annealing provided the optimal rotation order of sires within this list, when the sires were related. These methods were also used for subsequent rotation lists, needed by the exhaustion of semen stores for the first bulls. Simulation was carried out starting with groups of independent sires, with different sizes. To generate a yearly inbreeding rate substantially lower than 0.05% (considered to be within reach by conventional conservation schemes using frequent replacements), the results obtained showed that the number of sires should be at least 10–15 and that the same sires should be used during at least 50 years. The ultimate objective was to examine the relevance of implementing rotation in breeding schemes on the actual rare French cattle breeds under conservation. The best candidate for such a test was the Villard-de-Lans breed (27 bulls and 73 000 doses for only 340 females) and it turned out to be the best performer with an inbreeding coefficient of only 7.4% after 500 years and five different sire lists. Due to the strong requirements on semen stores and on the stability of population size, actual implementation of this kind of conservation scheme was recommended only in special ('niche') cattle populations. PMID:18558074

Magnetostriction and corrosion studies in single crystals of iron-gallium alloys

NASA Astrophysics Data System (ADS)

Jayaraman, Tanjore V.

Iron-gallium alloys have an excellent combination of large low-field magnetostriction, good mechanical properties, low hysteresis, and relatively low cost. This dissertation focuses on the magneto striction and corrosion behaviors of single crystals of Fe-Ga alloys. In the first part, the variation of magnetostrictive coefficient: (3/2) lambda100, with composition and heat treatment conditions of Fe-Ga alloys, is examined. Single crystals with compositions Fe-15 at.% Ga, Fe-20 at.% Ga, and Fe-27.5 at.% Ga were obtained by (a) vertical Bridgman technique (DG) and (b) vertical Bridgman technique followed by long-term annealing (LTA) and quenching. Rapid quenching from a phase region improves the (3/2) lambda 100 value in these alloys. X-ray diffraction characterization showed for the first time the direct evidence of short-range ordering in these alloys. The second part reports the first study of alpha" ordering heat treatment on the elastic properties and magnetostriction of Fe-27.5 at.% Ga alloy single crystals. The elastic constants were measured using resonant ultrasound spectroscopy (RUS), and the elastic properties and magneto-elastic coupling constant were calculated. The (3/2) lambda100 and B1 values obtained for a phase were higher than alpha" phase. The third part examines the first study of corrosion behavior of as-cast FeGa and Fe-Ga-Al alloys in acidic, basic, and simulated seawater environments. Corrosion measurements were performed by Tafel scan and polarization resistance method and in general exhibited good corrosion resistance. The fourth part examines the first study of corrosion behavior of Fe-15 at.% Ga, Fe-20 at.% Ga, and Fe-27.5 at.% Ga DG and LTA alloy single crystals and the dependence of corrosion rates on the crystal orientations. The corrosion resistance was better in basic environments followed by simulated seawater and acidic environments. The fifth part examines the effect of magnetostriction on the corrosion behavior of [100]-oriented single crystal of Fe-20 at.% Ga alloy in acidic and simulated seawater solution, first study ever of this kind. Magnetostrictive strain introduced on the application of saturation magnetic field increased the corrosion rate of [100]-oriented Fe-20 at.% Ga alloy single crystal by 40% in 0.1M HCl and decreased the corrosion rate by 15% in 3.5 wt.% NaCl solution.

Kurtosis Approach for Nonlinear Blind Source Separation

NASA Technical Reports Server (NTRS)

Duong, Vu A.; Stubbemd, Allen R.

2005-01-01

In this paper, we introduce a new algorithm for blind source signal separation for post-nonlinear mixtures. The mixtures are assumed to be linearly mixed from unknown sources first and then distorted by memoryless nonlinear functions. The nonlinear functions are assumed to be smooth and can be approximated by polynomials. Both the coefficients of the unknown mixing matrix and the coefficients of the approximated polynomials are estimated by the gradient descent method conditional on the higher order statistical requirements. The results of simulation experiments presented in this paper demonstrate the validity and usefulness of our approach for nonlinear blind source signal separation.

Radiative improvement of the lattice nonrelativistic QCD action using the background field method and application to the hyperfine splitting of quarkonium states.

PubMed

Hammant, T C; Hart, A G; von Hippel, G M; Horgan, R R; Monahan, C J

2011-09-09

We present the first application of the background field method to nonrelativistic QCD (NRQCD) on the lattice in order to determine the one-loop radiative corrections to the coefficients of the NRQCD action in a manifestly gauge-covariant manner. The coefficients of the σ·B term in the NRQCD action and the four-fermion spin-spin interaction are computed at the one-loop level; the resulting shift of the hyperfine splitting of bottomonium is found to bring the lattice predictions in line with experiment.

Comparison of the functional rating index and the 18-item Roland-Morris Disability Questionnaire: responsiveness and reliability.

PubMed

Chansirinukor, Wunpen; Maher, Christopher G; Latimer, Jane; Hush, Julia

2005-01-01

Retrospective design. To compare the responsiveness and test-retest reliability of the Functional Rating Index and the 18-item version of the Roland-Morris Disability Questionnaire in detecting change in disability in patients with work-related low back pain. Many low back pain-specific disability questionnaires are available, including the Functional Rating Index and the 18-item version of the Roland-Morris Disability Questionnaire. No previous study has compared the responsiveness and reliability of these questionnaires. Files of patients who had been treated for work-related low back pain at a physical therapy clinic were reviewed, and those containing initial and follow-up Functional Rating Index and 18-item Roland-Morris Disability Questionnaires were selected. The responsiveness of both questionnaires was compared using two different methods. First, using the assumption that patients receiving treatment improve over time, various responsiveness coefficients were calculated. Second, using change in work status as an external criterion to identify improved and nonimproved patients, Spearman's rho and receiver operating characteristic curves were calculated. Reliability was estimated from the subset of patients who reported no change in their condition over this period and expressed with the intraclass correlation coefficient and the minimal detectable change. One hundred and forty-three patient files were retrieved. The responsiveness coefficients for the Functional Rating Index were greater than for the 18-item Roland-Morris Disability Questionnaire. The intraclass correlation coefficient values for both questionnaires calculated from 96 patient files were similar, but the minimal detectable change for the Functional Rating Index was less than for the 18-item Roland-Morris Disability Questionnaire. The Functional Rating Index seems preferable to the 18-item Roland-Morris Disability Questionnaire for use in clinical trials and clinical practice.

How does the isomerization rate affect the photoisomerization-induced transport properties of a doped molecular glass-former?

NASA Astrophysics Data System (ADS)

Accary, J.-B.; Teboul, V.

2013-07-01

We investigate the effect of the isomerization rate f on the microscopic mechanisms at the origin of the massive mass transport found in glass-formers doped with isomerizing azobenzene molecules that result in surface relief gratings formation. To this end we simulate the isomerization of dispersed probe molecules embedded into a molecular host glass-former. The host diffusion coefficient first increases linearly with f and then saturates. The saturated value of the diffusion coefficient and of the viscosity does not depend on f but increases with temperature while the linear response for these transport coefficients depends only slightly on the temperature. We interpret this saturation as arising from the appearance of increasingly soft regions around the probes for high isomerization rates, a result in qualitative agreement with experiments. These two different physical behaviors, linear response and saturation, are reminiscent of the two different unexplained mass transport mechanisms observed for small or large light intensities (for small intensities the molecules move towards the dark regions while for large intensities they move towards the illuminated regions).

On the Development of a New Nonequilibrium Chemistry Model for Mars Entry

NASA Technical Reports Server (NTRS)

Jaffe, R. L.; Schwenke, D. W.; Chaban, G. M.; Prabhu, D. K.; Johnston, C. O.; Panesi, M.

2017-01-01

This paper represents a summary of results to date of an on-going effort at NASA Ames Research Center to develop a physics-based non-equilibrium model for hypersonic entry into the Martian atmosphere. Our approach is to first compute potential energy surfaces based on accurate solutions of the electronic Schroedinger equation and then use quasiclassical trajectory calculations to obtain reaction cross sections and rate coefficients based on these potentials. We have presented new rate coefficients for N2 dissociation and CO dissociation and exchange reactions. These results illustrate shortcomings with some of the rate coefficients in Parks original T-Tv model for Mars entries and with some of the 30-45 year old shock tube data. We observe that the shock tube experiments of CO + O dissociation did not adequately account for the exchange reaction that leads to formation of C + O2. This reaction is actually the primary channel for CO removal in the shock layer at temperatures below 10,000 K, because the reaction enthalpy for exchange is considerably lower than the comparable value for dissociation.

Rotational cross sections and rate coefficients of aluminium monoxide AlO(X2Σ+) induced by its collision with He(1 S) at low temperature

NASA Astrophysics Data System (ADS)

Tchakoua, Théophile; Nkot Nkot, Pierre René; Fifen, Jean Jules; Nsangou, Mama; Motapon, Ousmanou

2018-06-01

We present the first potential energy surface (PES) for the AlO(X2Σ+)-He(1 S) van der Waals complex. This PES has been calculated at the RCCSD(T) level of theory. The mixed Gaussian/Exponential Extrapolation Scheme of complete basis set [CBS(D,T,Q)] was employed. The PES was fitted using global analytical method. This fitted PES was used subsequently in the close-coupling approach for the computation of the state-to-state collisional excitation cross sections of the fine-structure levels of the AlO-He complex. Collision energies were taken up to 2500 cm-1 and they yield after thermal averaging, state-to-state rate coefficients up to 300 K. The propensity rules between the lowest fine-structure levels were studied. These rules show, on one hand, a strong propensity in favour of odd ΔN transitions, and on the other hand, that cross sections and collisional rate coefficients for Δj = ΔN transitions are larger than those for Δj ≠ ΔN transitions.

SMA foil-based elastocaloric cooling: from material behavior to device engineering

NASA Astrophysics Data System (ADS)

Bruederlin, F.; Ossmer, H.; Wendler, F.; Miyazaki, S.; Kohl, M.

2017-10-01

The elastocaloric effect associated with the stress-induced first order phase transformation in pseudoelastic shape memory alloy (SMA) films and foils is of special interest for cooling applications on a miniature scale enabling fast heat transfer and high cycling frequencies as well as tunable transformation temperatures. The focus is on TiNi-based materials having the potential to meet the various challenges associated with elastocaloric cooling including large adiabatic temperature change and ultra-low fatigue. The evolution of strain and temperature bands during tensile load cycling is investigated with respect to strain and strain-rate by in situ digital image correlation and infrared thermography with a spatial resolution in the order of 25 µm. Major design issues and challenges in fabrication of SMA film-based elastocaloric cooling devices are discussed including the efficiency of heat transfer as well as force recovery to enhance the coefficient of performance (COP) on the system level. Advanced demonstrators show a temperature span of 13 °C after 30 s, while the COP of the overall device reaches almost 10% of Carnot efficiency.

Kinetic study of low-temperature CO2 plasmas under non-equilibrium conditions. I. Relaxation of vibrational energy

NASA Astrophysics Data System (ADS)

Silva, T.; Grofulović, M.; Klarenaar, B. L. M.; Morillo-Candas, A. S.; Guaitella, O.; Engeln, R.; Pintassilgo, C. D.; Guerra, V.

2018-01-01

A kinetic model describing the time evolution of ˜70 individual CO2(X1Σ+) vibrational levels during the afterglow of a pulsed DC glow discharge is developed in order to contribute to the understanding of vibrational energy transfer in CO2 plasmas. The results of the simulations are compared against in situ Fourier transform infrared spectroscopy data obtained in a pulsed DC glow discharge and its afterglow at pressures of a few Torr and discharge currents of around 50 mA. The very good agreement between the model predictions and the experimental results validates the kinetic scheme considered here and the corresponding vibration-vibration and vibration-translation rate coefficients. In this sense, it establishes a reaction mechanism for the vibrational kinetics of these CO2 energy levels and offers a firm basis to understand the vibrational relaxation in CO2 plasmas. It is shown that first-order perturbation theories, namely, the Schwartz-Slawsky-Herzfeld and Sharma-Brau methods, provide a good description of CO2 vibrations under low excitation regimes.

Rogue waves for a discrete (2+1)-dimensional Ablowitz-Ladik equation in the nonlinear optics and Bose-Einstein condensation

NASA Astrophysics Data System (ADS)

Wu, Xiao-Yu; Tian, Bo; Chai, Han-Peng; Du, Zhong

2018-03-01

Under investigation in this paper is a discrete (2+1)-dimensional Ablowitz-Ladik equation, which is used to model the nonlinear waves in the nonlinear optics and Bose-Einstein condensation. Employing the Kadomtsev-Petviashvili hierarchy reduction, we obtain the rogue wave solutions in terms of the Gramian. We graphically study the first-, second- and third-order rogue waves with the influence of the focusing coefficient and coupling strength. When the value of the focusing coefficient increases, both the peak of the rogue wave and background decrease. When the value of the coupling strength increases, the rogue wave raises and decays in a shorter time. High-order rogue waves are exhibited as one single highest peak and some lower humps, and such lower humps are shown as the triangular and circular patterns.

Development of a second order closure model for computation of turbulent diffusion flames

NASA Technical Reports Server (NTRS)

Varma, A. K.; Donaldson, C. D.

1974-01-01

A typical eddy box model for the second-order closure of turbulent, multispecies, reacting flows developed. The model structure was quite general and was valid for an arbitrary number of species. For the case of a reaction involving three species, the nine model parameters were determined from equations for nine independent first- and second-order correlations. The model enabled calculation of any higher-order correlation involving mass fractions, temperatures, and reaction rates in terms of first- and second-order correlations. Model predictions for the reaction rate were in very good agreement with exact solutions of the reaction rate equations for a number of assumed flow distributions.

Columbia: The first 5 flights entry heating data series. Volume 5: The side fuselage and payload bay door

NASA Technical Reports Server (NTRS)

Williams, S. D.

1984-01-01

Entry heating flight data and wind tunnel data on the side fuselage and payload bay door, Z = 400 and 440 trace aft of X/L=0.2, for the first five flights of the Space Shuttle Orbiter are presented. The heating rate data are reviewed in terms of normalized film heat transfer coefficients as a function of angle of attack, Mach number, and normal shock Reynolds number. The surface heatings rates and temperatures were obtained by the JSC NONLIN/INVERSE computer program. Time history plots of the surface heating rates and temperatures are outlined.

Temporal behavior of the effective diffusion coefficients for transport in heterogeneous saturated aquifers

NASA Astrophysics Data System (ADS)

Suciu, N.; Vamos, C.; Vereecken, H.; Vanderborght, J.; Hardelauf, H.

2003-04-01

When the small scale transport is modeled by a Wiener process and the large scale heterogeneity by a random velocity field, the effective coefficients, Deff, can be decomposed as sums between the local coefficient, D, a contribution of the random advection, Dadv, and a contribution of the randomness of the trajectory of plume center of mass, Dcm: Deff=D+Dadv-Dcm. The coefficient Dadv is similar to that introduced by Taylor in 1921, and more recent works associate it with the thermodynamic equilibrium. The ``ergodic hypothesis'' says that over large time intervals Dcm vanishes and the effect of the heterogeneity is described by Dadv=Deff-D. In this work we investigate numerically the long time behavior of the effective coefficients as well as the validity of the ergodic hypothesis. The transport in every realization of the velocity field is modeled with the Global Random Walk Algorithm, which is able to track as many particles as necessary to achieve a statistically reliable simulation of the process. Averages over realizations are further used to estimate mean coefficients and standard deviations. In order to remain in the frame of most of the theoretical approaches, the velocity field was generated in a linear approximation and the logarithm of the hydraulic conductivity was taken to be exponential decaying correlated with variance equal to 0.1. Our results show that even in these idealized conditions, the effective coefficients tend to asymptotic constant values only when the plume travels thousands of correlations lengths (while the first order theories usually predict Fickian behavior after tens of correlations lengths) and that the ergodicity conditions are still far from being met.

Mechanism of alpha-amino acids decomposition in the gas phase. experimental and theoretical study of the elimination kinetics of N-benzyl glycine ethyl ester.

PubMed

Tosta, Maria; Oliveros, Jhenny C; Mora, Jose R; Córdova, Tania; Chuchani, Gabriel

2010-02-25

The gas-phase elimination kinetics of N-benzylglycine ethyl ester was examined in a static system, seasoned with allyl bromide, and in the presence of the free chain radical suppressor toluene. The working temperature and pressure range were 386.4-426.7 degrees C and 16.7-40.0 torr, respectively. The reaction showed to be homogeneous, unimolecular, and obeys a first-order rate law. The elimination products are benzylglycine and ethylene. However, the intermediate benzylglycine is unstable under the reaction conditions decomposing into benzyl methylamine and CO(2) gas. The variation of the rate coefficients with temperature is expressed by the following Arrhenius equation: log k(1) (s(-1)) = (11.83 +/- 0.52) - (190.3 +/- 6.9) kJ mol(-1) (2.303RT)(-1). The theoretical calculation of the kinetic parameters and mechanism of elimination of this ester were performed at B3LYP/6-31G*, B3LYP/6-31+G**, MPW1PW91/6-31G*, and MPW1PW91/6-31+G** levels of theory. The calculation results suggest a molecular mechanism of a concerted nonsynchronous six-membered cyclic transition state process. The analysis of bond order and natural bond orbital charges implies that the bond polarization of C(=O)O-C, in the sense of C(=O)O(delta-)...C(delta+), is rate determining. The experimental and theoretical parameters have been found to be in reasonable agreement.

Occurrence and transport of tetracycline, sulfonamide, quinolone, and macrolide antibiotics in the Haihe River Basin, China.

PubMed

Luo, Yi; Xu, Lin; Rysz, Michal; Wang, Yuqiu; Zhang, Hao; Alvarez, Pedro J J

2011-03-01

The occurrence and transport of 12 antibiotics (from the tetracycline, sulfonamide, quinolone, and macrolide families) was studied in a 72-km stretch of the Haihe River, China, and in six of its tributaries. Aqueous and sediment samples were analyzed by HPLC-MS/MS. Sulfonamides were detected at the highest concentrations (24-385 ng/L) and highest frequencies (76-100%). Eight of the 12 antibiotics likely originated from veterinary applications in swine farms and fishponds, and concentrations at these sources (0.12-47 μg/L) were 1-2 orders of magnitude higher than in the effluent of local wastewater treatment plants. Sulfachloropyridazine (SCP) was detected in all swine farm and fishpond samples (maximum concentration 47 μg/L), which suggests its potential usefulness to indicate livestock source pollution in the Haihe River basin. Hydrological and chemical factors that may influence antibiotic distribution in the Haihe River were considered by multiple regression analysis. River flow rate exerted the most significant effect on the first-order attenuation coefficient (K) for sulfonamides, quinolones, and macrolides, with higher flow rates resulting in higher K, probably due to dilution. For tetracyclines, sediment total organic matter and cation exchange capacity exerted a greater impact on K than flow rate, indicating that adsorption to sediments plays an important role in attenuating tetracycline migration. Overall, the predominance of sulfonamides in the Haihe River underscores the need to consider regulating their veterinary use and improving the management and treatment of associated releases.

Charge Transfer in Collisions of S^4+ with He.

NASA Astrophysics Data System (ADS)

Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic helium were investigated for energies between 0.1 meV/u and 10 MeV/u. Total and state-selective cross sections and rate coefficients were obtained utilizing the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were also explored. Previous data are limited to an earlier Landau-Zener calculation of the total rate coefficient for which our results are two orders of magnitude larger. An observed multichannel interference effect in the MOCC results will also be discussed.

SCREENING MODEL FOR VOLATILE POLLUTANTS IN DUEL POROSITY SOILT

EPA Science Inventory

This paper develops mass fraction models for transport and fate of volatile organic chemicals, such as pesticides, in two-region soils. It addressed two main and interrelated parts. First, expressions are derived which describe the rate mass transfer coefficient in a periodical...

Prediction of the moments in advection-diffusion lattice Boltzmann method. I. Truncation dispersion, skewness, and kurtosis

NASA Astrophysics Data System (ADS)

Ginzburg, Irina

2017-01-01

The effect of the heterogeneity in the soil structure or the nonuniformity of the velocity field on the modeled resident time distribution (RTD) and breakthrough curves is quantified by their moments. While the first moment provides the effective velocity, the second moment is related to the longitudinal dispersion coefficient (kT) in the developed Taylor regime; the third and fourth moments are characterized by their normalized values skewness (Sk) and kurtosis (Ku), respectively. The purpose of this investigation is to examine the role of the truncation corrections of the numerical scheme in kT, Sk, and Ku because of their interference with the second moment, in the form of the numerical dispersion, and in the higher-order moments, by their definition. Our symbolic procedure is based on the recently proposed extended method of moments (EMM). Originally, the EMM restores any-order physical moments of the RTD or averaged distributions assuming that the solute concentration obeys the advection-diffusion equation in multidimensional steady-state velocity field, in streamwise-periodic heterogeneous structure. In our work, the EMM is generalized to the fourth-order-accurate apparent mass-conservation equation in two- and three-dimensional duct flows. The method looks for the solution of the transport equation as the product of a long harmonic wave and a spatially periodic oscillating component; the moments of the given numerical scheme are derived from a chain of the steady-state fourth-order equations at a single cell. This mathematical technique is exemplified for the truncation terms of the two-relaxation-time lattice Boltzmann scheme, using plug and parabolic flow in straight channel and cylindrical capillary with the d2Q9 and d3Q15 discrete velocity sets as simple but illustrative examples. The derived symbolic dependencies can be readily extended for advection by another, Newtonian or non-Newtonian, flow profile in any-shape open-tabular conduits. It is established that the truncation errors in the three transport coefficients kT, Sk, and Ku decay with the second-order accuracy. While the physical values of the three transport coefficients are set by Péclet number, their truncation corrections additionally depend on the two adjustable relaxation rates and the two adjustable equilibrium weight families which independently determine the convective and diffusion discretization stencils. We identify flow- and dimension-independent optimal strategies for adjustable parameters and confront them to stability requirements. Through specific choices of two relaxation rates and weights, we expect our results be directly applicable to forward-time central differences and leap-frog central-convective Du Fort-Frankel-diffusion schemes. In straight channel, a quasi-exact validation of the truncation predictions through the numerical moments becomes possible thanks to the specular-forward no-flux boundary rule. In the staircase description of a cylindrical capillary, we account for the spurious boundary-layer diffusion and dispersion because of the tangential constraint of the bounce-back no-flux boundary rule.

Computer Calculation of First-Order Rate Constants

ERIC Educational Resources Information Center

Williams, Robert C.; Taylor, James W.

1970-01-01

Discusses the computer program used to calculate first-order rate constants. Discussion includes data preparation, weighting options, comparison techniques, infinity point adjustment, least-square fit, Guggenheim calculation, and printed outputs. Exemplifies the utility of the computer program by two experiments: (1) the thermal decomposition of…

An iwatsubo-based solution for labyrinth seals - comparison with experimental results

NASA Technical Reports Server (NTRS)

Childs, D. W.; Scharrer, J. K.

1984-01-01

The basic equations are derived for compressible flow in a labyrinth seal. The flow is assumed to be completely turbulent in the circumferential direction where the friction factor is determined by the Blasius relation. Linearized zeroth and first-order perturbation equations are developed for small motion about a centered position by an expansion in the eccentricity ratio. The zeroth-order pressure distribution is found by satisfying the leakage equation while the circumferential velocity distribution is determined by satisfying the momentum equation. The first-order equations are solved by a separation of variables solution. Integration of the resultant pressure distribution along and around the seal defines the reaction force developed by the seal and the corresponding dynamic coefficients. The results of this analysis are compared to published test results.

A priori error estimates for an hp-version of the discontinuous Galerkin method for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Bey, Kim S.; Oden, J. Tinsley

1993-01-01

A priori error estimates are derived for hp-versions of the finite element method for discontinuous Galerkin approximations of a model class of linear, scalar, first-order hyperbolic conservation laws. These estimates are derived in a mesh dependent norm in which the coefficients depend upon both the local mesh size h(sub K) and a number p(sub k) which can be identified with the spectral order of the local approximations over each element.

Mathematical relationships between metrics of chemical bioaccumulation in fish.

PubMed

Mackay, Don; Arnot, Jon A; Gobas, Frank A P C; Powell, David E

2013-07-01

Five widely used metrics of bioaccumulation in fish are defined and discussed, namely the octanol-water partition coefficient (KOW ), bioconcentration factor (BCF), bioaccumulation factor (BAF), biomagnification factor (BMF), and trophic magnification factor (TMF). Algebraic relationships between these metrics are developed and discussed using conventional expressions for chemical uptake from water and food and first-order losses by respiration, egestion, biotransformation, and growth dilution. Two BCFs may be defined, namely as an equilibrium partition coefficient KFW or as a nonequilibrium BCFK in which egestion losses are included. Bioaccumulation factors are shown to be the product of the BCFK and a novel equilibrium multiplier M containing 2 ratios, namely, the diet-to-water concentration ratio and the ratio of uptake rate constants for respiration and dietary uptake. Biomagnification factors are shown to be proportional to the lipid-normalized ratio of the predator/prey values of BCFK and the ratio of the equilibrium multipliers. Relationships with TMFs are also discussed. The effects of chemical hydrophobicity, biotransformation, and growth are evaluated by applying the relationships to a range of illustrative chemicals of varying KOW in a linear 4-trophic-level food web with typical values for uptake and loss rate constants. The roles of respiratory and dietary intakes are demonstrated, and even slow rates of biotransformation and growth can significantly affect bioaccumulation. The BCFK s and the values of M can be regarded as the fundamental determinants of bioaccumulation and biomagnification in aquatic food webs. Analyzing data from food webs can be enhanced by plotting logarithmic lipid-normalized concentrations or fugacities as a linear function of trophic level to deduce TMFs. Implications for determining bioaccumulation by laboratory tests for regulatory purposes are discussed. Copyright © 2013 SETAC.

Nuclear relaxation rate in layered superconductors with unconventional pairing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maleyev, S.V.; Yashenkin, A.G.; Aristov, D.N.

1994-11-01

The cubic temperature dependence of the nuclear relaxation rate (NRR) in layered superconductors with the order parameter having zeros at the Fermi surface (FS) is found to be universal under quite general conditions. The coefficient in the quasi-Korringa term for the NRR appearing at low temperatures due to impurity scattering is estimated. It is shown that an anisotropy of the gap function over the FS leads to the disappearance of the Hebel-Slichter coherence peak close to [ital T][sub [ital c

Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP)

NASA Astrophysics Data System (ADS)

Snyder, David A.; Chantova, Mihaela; Chaudhry, Saadia

2015-06-01

NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase.

Simplified Two-Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydorgen/Oxygen

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2005-01-01

A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two-time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (> 1 x 10(exp -20) moles/cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T4). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/air fuel and for the H2/O2. A similar correlation is also developed using data from NASA s Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T4) as a function of overall fuel/air ratio, pressure and initial temperature (T3). High values of the regression coefficient R2 are obtained.

Summary of Simplified Two Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydrogen/Oxygen

NASA Technical Reports Server (NTRS)

Marek, C. John; Molnar, Melissa

2005-01-01

A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (greater than l x 10(exp -20)) moles per cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T(sub 4)). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/Air fuel and for H2/O2. A similar correlation is also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T(sub 4)) as a function of overall fuel/air ratio, pressure and initial temperature (T(sub 3)). High values of the regression coefficient R squared are obtained.

On chemical reaction and porous medium effect in the MHD flow due to a rotating disk with variable thickness

NASA Astrophysics Data System (ADS)

Hayat, Tasawar; Nazar, Hira; Imtiaz, Maria; Alsaedi, Ahmed

2017-06-01

The present analysis describes the magnetohydrodynamic (MHD) axisymmetric flow of a viscous fluid due to a rotating disk with variable thickness. An electrically conducting fluid fills the porous space. The first-order chemical reaction is considered. The equations of the present problem representing the flow of a fluid are reduced into nonlinear ordinary differential equations. Convergent series solutions are obtained. The impacts of the various involved dimensionless parameters on fluid flow, temperature, concentration, skin frction coefficient and Nusselt number are examined. The radial, tangential and axial components of velocity are affected in a similar manner on changing the thickness coefficient of the disk. Similar effects of the disk thickness coefficient are observed for both the temperature and concentration profile.

Determination of the structural damping coefficients of six full-scale helicopter rotor blades of different materials and methods of construction

NASA Technical Reports Server (NTRS)

Gibson, Frederick W

1956-01-01

Results of an experimental investigation of the structural damping of six full-scale helicopter rotor blades, made to determine the variation of structural damping with materials and methods of construction, are presented. The damping of the blades was determined for the first three flapwise bending modes, first chordwise bending mode, and first torsion mode. The contribution of structural damping to the total damping of the blades is discussed for several aerodynamic conditions in order to point out situations where structural damping is significant.

A Novel Complex-Coefficient In-Band Interference Suppression Algorithm for Cognitive Ultra-Wide Band Wireless Sensors Networks.

PubMed

Xiong, Hailiang; Zhang, Wensheng; Xu, Hongji; Du, Zhengfeng; Tang, Huaibin; Li, Jing

2017-05-25

With the rapid development of wireless communication systems and electronic techniques, the limited frequency spectrum resources are shared with various wireless devices, leading to a crowded and challenging coexistence circumstance. Cognitive radio (CR) and ultra-wide band (UWB), as sophisticated wireless techniques, have been considered as significant solutions to solve the harmonious coexistence issues. UWB wireless sensors can share the spectrum with primary user (PU) systems without harmful interference. The in-band interference of UWB systems should be considered because such interference can severely affect the transmissions of UWB wireless systems. In order to solve the in-band interference issues for UWB wireless sensor networks (WSN), a novel in-band narrow band interferences (NBIs) elimination scheme is proposed in this paper. The proposed narrow band interferences suppression scheme is based on a novel complex-coefficient adaptive notch filter unit with a single constrained zero-pole pair. Moreover, in order to reduce the computation complexity of the proposed scheme, an adaptive complex-coefficient iterative method based on two-order Taylor series is designed. To cope with multiple narrow band interferences, a linear cascaded high order adaptive filter and a cyclic cascaded high order matrix adaptive filter (CCHOMAF) interference suppression algorithm based on the basic adaptive notch filter unit are also presented. The theoretical analysis and numerical simulation results indicate that the proposed CCHOMAF algorithm can achieve better performance in terms of average bit error rate for UWB WSNs. The proposed in-band NBIs elimination scheme can significantly improve the reception performance of low-cost and low-power UWB wireless systems.

A Novel Complex-Coefficient In-Band Interference Suppression Algorithm for Cognitive Ultra-Wide Band Wireless Sensors Networks

PubMed Central

Xiong, Hailiang; Zhang, Wensheng; Xu, Hongji; Du, Zhengfeng; Tang, Huaibin; Li, Jing

2017-01-01

With the rapid development of wireless communication systems and electronic techniques, the limited frequency spectrum resources are shared with various wireless devices, leading to a crowded and challenging coexistence circumstance. Cognitive radio (CR) and ultra-wide band (UWB), as sophisticated wireless techniques, have been considered as significant solutions to solve the harmonious coexistence issues. UWB wireless sensors can share the spectrum with primary user (PU) systems without harmful interference. The in-band interference of UWB systems should be considered because such interference can severely affect the transmissions of UWB wireless systems. In order to solve the in-band interference issues for UWB wireless sensor networks (WSN), a novel in-band narrow band interferences (NBIs) elimination scheme is proposed in this paper. The proposed narrow band interferences suppression scheme is based on a novel complex-coefficient adaptive notch filter unit with a single constrained zero-pole pair. Moreover, in order to reduce the computation complexity of the proposed scheme, an adaptive complex-coefficient iterative method based on two-order Taylor series is designed. To cope with multiple narrow band interferences, a linear cascaded high order adaptive filter and a cyclic cascaded high order matrix adaptive filter (CCHOMAF) interference suppression algorithm based on the basic adaptive notch filter unit are also presented. The theoretical analysis and numerical simulation results indicate that the proposed CCHOMAF algorithm can achieve better performance in terms of average bit error rate for UWB WSNs. The proposed in-band NBIs elimination scheme can significantly improve the reception performance of low-cost and low-power UWB wireless systems. PMID:28587085

A robust method of computing finite difference coefficients based on Vandermonde matrix

NASA Astrophysics Data System (ADS)

Zhang, Yijie; Gao, Jinghuai; Peng, Jigen; Han, Weimin

2018-05-01

When the finite difference (FD) method is employed to simulate the wave propagation, high-order FD method is preferred in order to achieve better accuracy. However, if the order of FD scheme is high enough, the coefficient matrix of the formula for calculating finite difference coefficients is close to be singular. In this case, when the FD coefficients are computed by matrix inverse operator of MATLAB, inaccuracy can be produced. In order to overcome this problem, we have suggested an algorithm based on Vandermonde matrix in this paper. After specified mathematical transformation, the coefficient matrix is transformed into a Vandermonde matrix. Then the FD coefficients of high-order FD method can be computed by the algorithm of Vandermonde matrix, which prevents the inverse of the singular matrix. The dispersion analysis and numerical results of a homogeneous elastic model and a geophysical model of oil and gas reservoir demonstrate that the algorithm based on Vandermonde matrix has better accuracy compared with matrix inverse operator of MATLAB.

Seebeck Coefficient Metrology: Do Contemporary Protocols Measure Up?

NASA Astrophysics Data System (ADS)

Martin, Joshua; Wong-Ng, Winnie; Green, Martin L.

2015-06-01

Comparative measurements of the Seebeck coefficient are challenging due to the diversity of instrumentation and measurement protocols. With the implementation of standardized measurement protocols and the use of Standard Reference Materials (SRMs®), for example, the recently certified National Institute of Standards and Technology (NIST) SRM® 3451 ``Low Temperature Seebeck Coefficient Standard (10-390 K)'', researchers can reliably analyze and compare data, both intra- and inter-laboratory, thereby accelerating the development of more efficient thermoelectric materials and devices. We present a comparative overview of commonly adopted Seebeck coefficient measurement practices. First, we examine the influence of asynchronous temporal and spatial measurement of electric potential and temperature. Temporal asynchronicity introduces error in the absolute Seebeck coefficient of the order of ≈10%, whereas spatial asynchronicity introduces error of the order of a few percent. Second, we examine the influence of poor thermal contact between the measurement probes and the sample. This is especially critical at high temperature, wherein the prevalent mode of measuring surface temperature is facilitated by pressure contact. Each topic will include the comparison of data measured using different measurement techniques and using different probe arrangements. We demonstrate that the probe arrangement is the primary limit to high accuracy, wherein the Seebeck coefficients measured by the 2-probe arrangement and those measured by the 4-probe arrangement diverge with the increase in temperature, approaching ≈14% at 900 K. Using these analyses, we provide recommended measurement protocols to guide members of the thermoelectric materials community in performing more accurate measurements and in evaluating more comprehensive uncertainty limits.

Lateral mobility of plasma membrane proteins in dividing eggs of the loach (Misgurnus fossilis): Regional differences and changes during the cell cycle.

PubMed

Bozhkova, V P; Budayova, M; Kvasnicka, P; Cigankova, N; Chorvat, D

1994-12-01

Regional differences in lateral diffusion rates of fluorescence-labeled proteins have been studied in the plasma membrane of dividing eggs of the loach (Misgurnus fossilis) by fluorescence recovery after photobleaching (FRAP). Apparent animal-vegetal differences in fluorescence intensity, lateral diffusion coefficients, and fractions of mobile proteins have been found, with all these quantities being higher in the animal pole region than in the yolk region. Cyclic changes in protein diffusion coefficients and mobile fractions during the first few cell cycles have also been recorded. Soon after the end of a cleavage, the diffusion coefficient reaches its minimal value and increases rapidly before the next cleavage.

Modeling the variations of reflection coefficient of Earth's lower ionosphere using very low frequency radio wave data by artificial neural network

NASA Astrophysics Data System (ADS)

Ghanbari, Keyvan; Khakian Ghomi, Mehdi; Mohammadi, Mohammad; Marbouti, Marjan; Tan, Le Minh

2016-08-01

The ionized atmosphere lying from 50 to 600 km above surface, known as ionosphere, contains high amount of electrons and ions. Very Low Frequency (VLF) radio waves with frequencies between 3 and 30 kHz are reflected from the lower ionosphere specifically D-region. A lot of applications in long range communications and navigation systems have been inspired by this characteristic of ionosphere. There are several factors which affect the ionization rate in this region, such as: time of day (presence of sun in the sky), solar zenith angle (seasons) and solar activities. Due to nonlinear response of ionospheric reflection coefficient to these factors, finding an accurate relation between these parameters and reflection coefficient is an arduous task. In order to model these kinds of nonlinear functionalities, some numerical methods are employed. One of these methods is artificial neural network (ANN). In this paper, the VLF radio wave data of 4 sudden ionospheric disturbance (SID) stations are given to a multi-layer perceptron ANN in order to simulate the variations of reflection coefficient of D region ionosphere. After training, validation and testing the ANN, outputs of ANN and observed values are plotted together for 2 random cases of each station. By evaluating the results using 2 parameters of pearson correlation coefficient and root mean square error, a satisfying agreement was found between ANN outputs and real observed data.

The elimination of influence of disturbing bodies' coordinates and derivatives discontinuity on the accuracy of asteroid motion simulation

NASA Astrophysics Data System (ADS)

Baturin, A. P.; Votchel, I. A.

2013-12-01

The problem of asteroid motion sumulation has been considered. At present this simulation is being performed by means of numerical integration taking into account the pertubations from planets and the Moon with some their ephemerides (DE405, DE422, etc.). All these ephemerides contain coefficients for Chebyshev polinomials for the great amount of equal interpolation intervals. However, all ephemerides has been constructed to keep at the junctions of adjacent intervals a continuity of just coordinates and their first derivatives (just in 16-digit decimal format corre-sponding to 64-bit floating-point numbers). But as for the second and higher order derivatives, they have breaks at these junctions. These breaks, if they are within an integration step, decrease the accuracy of numerical integration. If to consider 34-digit format (128-bit floating point numbers) the coordinates and their first derivatives will also have breaks (at 15-16 decimal digit) at interpolation intervals' junctions. Two ways of elimination of influence of such breaks have been considered. The first one is a "smoothing" of ephemerides so that planets' coordinates and their de-rivatives up to some order will be continuous at the junctions. The smoothing algorithm is based on conditional least-square fitting of coefficients for Chebyshev polynomials, the conditions are equalities of coordinates and derivatives up to some order "from the left" and "from the right" at the each junction. The algorithm has been applied for the smoothing of ephemerides DE430 just up to the first-order derivatives. The second way is a correction of integration step so that junctions does not lie within the step and always coincide with its end. But this way may be applied just at 16-digit decimal precision because it assumes a continuity of planets' coordinates and their first derivatives. Both ways was applied in forward and backward numerical integration for asteroids Apophis and 2012 DA14 by means of 15- and 31-order Everhart method at 16- and 34-digit decimal precision correspondently. The ephemerides DE430 (in its original and smoothed form) has been used for the calculation of perturbations. The results of the research indicate that the integration step correction increases a numercal integration accuracy by 3-4 orders. If, in addition, to replace the original ephemerides by the smoothed ones the accuracy increases approximately by 10 orders.

Determination of friction coefficient in unconfined compression of brain tissue.

PubMed

Rashid, Badar; Destrade, Michel; Gilchrist, Michael D

2012-10-01

Unconfined compression tests are more convenient to perform on cylindrical samples of brain tissue than tensile tests in order to estimate mechanical properties of the brain tissue because they allow homogeneous deformations. The reliability of these tests depends significantly on the amount of friction generated at the specimen/platen interface. Thus, there is a crucial need to find an approximate value of the friction coefficient in order to predict a possible overestimation of stresses during unconfined compression tests. In this study, a combined experimental-computational approach was adopted to estimate the dynamic friction coefficient μ of porcine brain matter against metal platens in compressive tests. Cylindrical samples of porcine brain tissue were tested up to 30% strain at variable strain rates, both under bonded and lubricated conditions in the same controlled environment. It was established that μ was equal to 0.09±0.03, 0.18±0.04, 0.18±0.04 and 0.20±0.02 at strain rates of 1, 30, 60 and 90/s, respectively. Additional tests were also performed to analyze brain tissue under lubricated and bonded conditions, with and without initial contact of the top platen with the brain tissue, with different specimen aspect ratios and with different lubricants (Phosphate Buffer Saline (PBS), Polytetrafluoroethylene (PTFE) and Silicone). The test conditions (lubricant used, biological tissue, loading velocity) adopted in this study were similar to the studies conducted by other research groups. This study will help to understand the amount of friction generated during unconfined compression of brain tissue for strain rates of up to 90/s. Copyright © 2012 Elsevier Ltd. All rights reserved.

Modelling of plasma-based dry reforming: how do uncertainties in the input data affect the calculation results?

NASA Astrophysics Data System (ADS)

Wang, Weizong; Berthelot, Antonin; Zhang, Quanzhi; Bogaerts, Annemie

2018-05-01

One of the main issues in plasma chemistry modeling is that the cross sections and rate coefficients are subject to uncertainties, which yields uncertainties in the modeling results and hence hinders the predictive capabilities. In this paper, we reveal the impact of these uncertainties on the model predictions of plasma-based dry reforming in a dielectric barrier discharge. For this purpose, we performed a detailed uncertainty analysis and sensitivity study. 2000 different combinations of rate coefficients, based on the uncertainty from a log-normal distribution, are used to predict the uncertainties in the model output. The uncertainties in the electron density and electron temperature are around 11% and 8% at the maximum of the power deposition for a 70% confidence level. Still, this can have a major effect on the electron impact rates and hence on the calculated conversions of CO2 and CH4, as well as on the selectivities of CO and H2. For the CO2 and CH4 conversion, we obtain uncertainties of 24% and 33%, respectively. For the CO and H2 selectivity, the corresponding uncertainties are 28% and 14%, respectively. We also identify which reactions contribute most to the uncertainty in the model predictions. In order to improve the accuracy and reliability of plasma chemistry models, we recommend using only verified rate coefficients, and we point out the need for dedicated verification experiments.

A Realizable Reynolds Stress Algebraic Equation Model

NASA Technical Reports Server (NTRS)

Shih, Tsan-Hsing; Zhu, Jiang; Lumley, John L.

1993-01-01

The invariance theory in continuum mechanics is applied to analyze Reynolds stresses in high Reynolds number turbulent flows. The analysis leads to a turbulent constitutive relation that relates the Reynolds stresses to the mean velocity gradients in a more general form in which the classical isotropic eddy viscosity model is just the linear approximation of the general form. On the basis of realizability analysis, a set of model coefficients are obtained which are functions of the time scale ratios of the turbulence to the mean strain rate and the mean rotation rate. The coefficients will ensure the positivity of each component of the mean rotation rate. These coefficients will ensure the positivity of each component of the turbulent kinetic energy - realizability that most existing turbulence models fail to satisfy. Separated flows over backward-facing step configurations are taken as applications. The calculations are performed with a conservative finite-volume method. Grid-independent and numerical diffusion-free solutions are obtained by using differencing schemes of second-order accuracy on sufficiently fine grids. The calculated results are compared in detail with the experimental data for both mean and turbulent quantities. The comparison shows that the present proposal significantly improves the predictive capability of K-epsilon based two equation models. In addition, the proposed model is able to simulate rotational homogeneous shear flows with large rotation rates which all conventional eddy viscosity models fail to simulate.

Eustachian Tube Mucosal Inflammation Scale Validation Based on Digital Video Images.

PubMed

Kivekäs, Ilkka; Pöyhönen, Leena; Aarnisalo, Antti; Rautiainen, Markus; Poe, Dennis

2015-12-01

The most common cause for Eustachian tube dilatory dysfunction is mucosal inflammation. The aim of this study was to validate a scale for Eustachian tube mucosal inflammation, based on digital video clips obtained during diagnostic rigid endoscopy. A previously described four-step scale for grading the degree of inflammation of the mucosa of the Eustachian tube lumen was used for this validation study. A tutorial for use of the scale, including static images and 10 second video clips, was presented to 26 clinicians with various levels of experience. Each clinician then reviewed 35 short digital video samples of Eustachian tubes from patients and rated the degree of inflammation. A subset of the clinicians performed a second rating of the same video clips at a subsequent time. Statistical analysis of the ratings provided inter- and intrarater reliability scores. Twenty-six clinicians with various levels of experience rated a total of 35 videos. Thirteen clinicians rated the videos twice. The overall correlation coefficient for the rating of inflammation severity was relatively good (0.74, 95% confidence interval, 0.72-0.76). The intralevel correlation coefficient for intrarater reliability was high (0.86). For those who rated videos twice, the intralevel correlation coefficient improved after the first rating (0.73, to 0.76), but improvement was not statistically significant. The inflammation scale used for Eustachian tube mucosal inflammation is reliable and this scale can be used with a high level of consistency by clinicians with various levels of experience.

Reproductive performance of gilts according to growth rate and backfat thickness at mating.

PubMed

Amaral Filha, W S; Bernardi, M L; Wentz, I; Bortolozzo, F P

2010-08-01

The study evaluated the influence of growth rate (GR) and backfat thickness (BF), at first mating of gilts, on the reproductive performance until the first farrowing and on the variation in birth weight of piglets. Gilts were categorized into three groups according to GR from birth until the first mating: GRI (600-700 g/d; n = 345), GRII (701-770 g/d; n = 710) and GRIII (771-870 g/d; n = 366). Analyses were also performed considering three groups formed according to BF (mm) at mating: BFI (10-15 mm; n = 405); BFII (16-17 mm; n = 649)and BFIII (18-23 mm; n = 367). There were no differences in farrowing rate and return to estrus rate among BF or GR groups (P > 0.05). GRII and GRIII females had larger litter size compared to GRI gilts (P < 0.05), respectively, 0.5 and 0.9 more piglets, but a greater percentage of intra-partum stillborns (P < 0.05) was observed in GRIII than in GRI and GRII females. Moreover GRIII females had more piglets (P < 0.05) weighing less than 1,200 g, litters with a greater coefficient of variation for birth weight and a greater percentage of litters with a coefficient of variation above 20% (P < 0.05) than GRI females. More total born and born alive piglets were observed in BFII compared with BFI females (P < 0.05). There were no differences among BF groups in number of stillborn neither in variables concerning the birth weight of piglets (P > 0.05). These results show that there is no advantage, in terms of farrowing rate and number of born alive, in performing the first mating of gilts with GR> 770 g/d and BF > 17 mm.