Talukdar, R. K.; Zhu, L.; Feierabend, K. J.; Burkholder, J. B.
2011-11-01
Rate coefficients, k, for the gas-phase reaction of CH3COCHO (methylglyoxal) with the OH and NO3 radicals and (CHO)2 (glyoxal) with the NO3 radical are reported. Rate coefficients for the OH + CH3COCHO (k1) reaction were measured under pseudo-first-order conditions in OH as a function of temperature (211-373 K) and pressure (100-220 Torr, He and N2 bath gases) using pulsed laser photolysis to produce OH radicals and laser induced fluorescence to measure its temporal profile. k1 was found to be independent of the bath gas pressure with k1(295 K) = (1.29 ± 0.13) × 10-11 cm3 molecule-1 s-1 and a temperature dependence that is well represented by the Arrhenius expression k1(T) = (1.74 ± 0.20) × 10-12 exp[(590 ± 40)/T] cm3 molecule-1 s-1 where the uncertainties are 2σ and include estimated systematic errors. Rate coefficients for the NO3 + (CHO)2 (k3) and NO3 + CH3COCHO (k4) reactions were measured using a relative rate technique to be k3(296 K) = (4.0 ± 1.0) × 10-16 cm3 molecule-1 s-1 and k4(296 K) = (5.1 ± 2.1) × 10-16 cm3 molecule-1 s-1. k3(T) was also measured using an absolute rate coefficient method under pseudo-first-order conditions at 296 and 353 K to be (4.2 ± 0.8) × 10-16 and (7.9 ± 3.6) × 10-16 cm3 molecule-1 s-1, respectively, in agreement with the relative rate result obtained at room temperature. The atmospheric implications of the OH and NO3 reaction rate coefficients measured in this work are discussed.
Directory of Open Access Journals (Sweden)
J. B. Burkholder
2011-11-01
Full Text Available Rate coefficients, k, for the gas-phase reaction of CH3COCHO (methylglyoxal with the OH and NO3 radicals and (CHO2 (glyoxal with the NO3 radical are reported. Rate coefficients for the OH + CH3COCHO (k1 reaction were measured under pseudo-first-order conditions in OH as a function of temperature (211–373 K and pressure (100–220 Torr, He and N2 bath gases using pulsed laser photolysis to produce OH radicals and laser induced fluorescence to measure its temporal profile. k1 was found to be independent of the bath gas pressure with k1(295 K = (1.29 ± 0.13 × 10−11 cm3 molecule−1 s−1 and a temperature dependence that is well represented by the Arrhenius expression k1(T = (1.74 ± 0.20 × 10−12 exp[(590 ± 40/T] cm3 molecule−1 s−1 where the uncertainties are 2σ and include estimated systematic errors. Rate coefficients for the NO3 + (CHO2 (k3 and NO3 + CH3COCHO (k4 reactions were measured using a relative rate technique to be k3(296 K = (4.0 ± 1.0 × 10−16 cm3 molecule−1 s−1 and k4(296 K = (5.1 ± 2.1 × 10−16 cm3 molecule−1 s−1. k3(T was also measured using an absolute rate coefficient method under pseudo-first-order conditions at 296 and 353 K to be (4.2 ± 0.8 × 10−16 and (7.9 ± 3.6 × 10−16 cm3 molecule−1 s−1, respectively, in agreement with the relative rate result obtained at room temperature. The atmospheric implications of the OH and NO3 reaction rate coefficients measured in this work are discussed.
Li, Feng; Chen, Guorui; Liu, Xing; Zhai, Jiwei; Shen, Bo; Li, Shandong; Li, Peng; Yang, Ke; Zeng, Huarong; Yan, Haixue
2017-05-01
In this study, the electrocaloric effect (ECE) of Bi0.5Na0.5TiO3-0.06BaTiO3 (BNT-0.06BT) ceramic has been directly measured using a home-made adiabatic calorimeter. The maximum adiabatic temperature change (ΔT) approaches 0.86 K under an electric field of 5 kV/mm at 110 °C, which provides experimental evidence for optimizing the ECE near the type-I pseudo-first-order phase transition (PFOPT). Most importantly, a considerable ΔT value can be maintained over a wide temperature range well above the temperature of the PFOPT under a high electric field. In addition, ΔT is closely related to the structural transition and electric field strength. This work provides a guideline to investigate the high ECE in BNT-based ferroelectric ceramics for applications in cooling technologies.
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 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.
Rate coefficient for the reaction N + NO
Fox, J. L.
1994-01-01
Evidence has been advanced that the rate coefficient for the reaction N + NO right arrow N2 + O has a small positive temperature dependence at the high temperatures (900 to 1500 K) that prevail in the terrestrial middle and upper thermosphere by Siskind and Rusch (1992), and at the low temperatures (100 to 200 K) of the Martian lower thermosphere by Fox (1993). Assuming that the rate coefficient recommended by the Jet Propulsion Laboratory evaluation (DeMore et al., 1992) is accurate at 300 K, we derive here the low temperature value of the activation energy for this reaction and thus the rate coefficient that best fits the Viking 1 measured NO densities. We find that the fit is acceptable for a rate coefficient of about 1.3 x 10(exp -10)(T/300)(exp 0.5)exp(-400/T) and better for a value of about 2.5 x 10(exp -10)(T/300)(exp 0.5)exp(-600/T)cu cm/s.
Rate Coefficient Determination in Charge Transfer Reactions
Nathalie Vaeck; MichÃƒÂ¨le Desouter-Lecomte; Ezinvi BaloÃƒÂ¯tcha; Marie-Christine Bacchus-Montabonel
2002-01-01
Abstract: The development of experimental ion-trap techniques provides the opportunity to compare directly theoretical rate coefficients to experimental data in the low-temperature regime. In the present work, we consider the ion-atom collisional systems, N2+, O2+, Si3+ and Si4+ on a He target, in order to examine the present status of the agreement between theory and experiment.
Rate Coefficient Determination in Charge Transfer Reactions
Directory of Open Access Journals (Sweden)
Nathalie Vaeck
2002-03-01
Full Text Available Abstract: The development of experimental ion-trap techniques provides the opportunity to compare directly theoretical rate coefficients to experimental data in the low-temperature regime. In the present work, we consider the ion-atom collisional systems, N2+, O2+, Si3+ and Si4+ on a He target, in order to examine the present status of the agreement between theory and experiment.
CALCULATION OF IONIZATION RATE COEFFICIENTS OF ...
African Journals Online (AJOL)
ionization. 1. INTRODUCTION. Plusieurs problèmes liés à l'étude des plasmas de laboratoire, d'astrophysique et de fusion thermonucléaire contrôlée nécessitent la connaissance au préalable de la structure atomique comme les énergies et longueurs d'onde des différents niveaux et les sections efficaces et les coefficients ...
Determination of sedimentation rates and absorption coefficient of ...
African Journals Online (AJOL)
DR. MIKE HORSFALL
In this study, sedimentation rates of insoluble transition metal carbonates are determined. Gamma rays from 60Co source are used to determine the absorption coefficient of these metal carbonates. The results obtained are used to investigate the functional relationship between sedimentation rate and absorption coefficient.
The Influence of Particle Charge on Heterogeneous Reaction Rate Coefficients
Aikin, A. C.; Pesnell, W. D.
2000-01-01
The effects of particle charge on heterogeneous reaction rates are presented. Many atmospheric particles, whether liquid or solid are charged. This surface charge causes a redistribution of charge within a liquid particle and as a consequence a perturbation in the gaseous uptake coefficient. The amount of perturbation is proportional to the external potential and the square of the ratio of debye length in the liquid to the particle radius. Previous modeling has shown how surface charge affects the uptake coefficient of charged aerosols. This effect is now included in the heterogeneous reaction rate of an aerosol ensemble. Extension of this analysis to ice particles will be discussed and examples presented.
Effective dose rate coefficients for exposure to contaminated soil
Energy Technology Data Exchange (ETDEWEB)
Veinot, K.G. [Easterly Scientific, Knoxville, TN (United States); Y-12 National Security Complex, Oak Ridge, TN (United States); Eckerman, K.F.; Easterly, C.E. [Easterly Scientific, Knoxville, TN (United States); Bellamy, M.B.; Hiller, M.M.; Dewji, S.A. [Oak Ridge National Laboratory, Center for Radiation Protection Knowledge, Oak Ridge, TN (United States); Hertel, N.E. [Oak Ridge National Laboratory, Center for Radiation Protection Knowledge, Oak Ridge, TN (United States); Georgia Institute of Technology, Atlanta, GA (United States); Manger, R. [University of California San Diego, Department of Radiation Medicine and Applied Sciences, La Jolla, CA (United States)
2017-08-15
The Oak Ridge National Laboratory Center for Radiation Protection Knowledge has undertaken calculations related to various environmental exposure scenarios. A previous paper reported the results for submersion in radioactive air and immersion in water using age-specific mathematical phantoms. This paper presents age-specific effective dose rate coefficients derived using stylized mathematical phantoms for exposure to contaminated soils. Dose rate coefficients for photon, electron, and positrons of discrete energies were calculated and folded with emissions of 1252 radionuclides addressed in ICRP Publication 107 to determine equivalent and effective dose rate coefficients. The MCNP6 radiation transport code was used for organ dose rate calculations for photons and the contribution of electrons to skin dose rate was derived using point-kernels. Bremsstrahlung and annihilation photons of positron emission were evaluated as discrete photons. The coefficients calculated in this work compare favorably to those reported in the US Federal Guidance Report 12 as well as by other authors who employed voxel phantoms for similar exposure scenarios. (orig.)
Rate coefficients for the gas-phase reaction of the hydroxyl radical with CH2=CHF and CH2=CF2.
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
Calculation of Ionization Rate Coefficients of Heliumoide Iron | Dilmi ...
African Journals Online (AJOL)
The atomic data of the various atomic processes are essential for the radiative collisional models describing plasmas. In this work we have our computation results of the coefficients of ionization rate of iron héliumoîde. These types of ions can exist in all the types of plasmas, amongst other things plasmas laser. We use a ...
Rate coefficients for hydrogen abstraction reaction of pinonaldehyde ...
Indian Academy of Sciences (India)
The H abstraction reaction from the –CHO group was found to be the most dominant reaction channelamong all the possible reaction pathways and its corresponding rate coefficient at 300 K is kEckart's unsymmetrical= 3.86 ×10-10 cm3 molecule-1 s-1. Whereas the channel with immediate lower activation energy is the ...
Shear-rate-dependent transport coefficients in granular suspensions
Garzó, Vicente
2017-06-01
A recent model for monodisperse granular suspensions is used to analyze transport properties in spatially inhomogeneous states close to the simple (or uniform) shear flow. The kinetic equation is based on the inelastic Boltzmann (for low-density gases) with the presence of a viscous drag force that models the influence of the interstitial gas phase on the dynamics of grains. A normal solution is obtained via a Chapman-Enskog-like expansion around a (local) shear flow distribution which retains all the hydrodynamic orders in the shear rate. To first order in the expansion, the transport coefficients characterizing momentum and heat transport around shear flow are given in terms of the solutions of a set of coupled linear integral equations which are approximately solved by using a kinetic model of the Boltzmann equation. To simplify the analysis, the steady-state conditions when viscous heating is compensated by the cooling terms arising from viscous friction and collisional dissipation are considered to get the explicit forms of the set of generalized transport coefficients. The shear-rate dependence of some of the transport coefficients of the set is illustrated for several values of the coefficient of restitution.
Rate coefficients for reactions of OH and Cl with esters.
Liang, Peng; Mu, Yujing; Daële, Véronique; Mellouki, Abdelwahid
2010-12-17
Rate coefficients for the gas-phase reactions of OH radicals with n-propyl butyrate (k(1)), n-butyl propionate (k(2)) and n-butyl butyrate (k(3)) are measured by both absolute and relative methods. The kinetics data obtained over the temperature range 273-372 K are used to derive the Arrhenius expressions (in units of cm(3) molecule(-1) s(-1)): k(1)=(1.92±0.50)×10(-12) exp[(400±80)/T], k(2)=(2.98±1.32)×10(-12) exp[(209±139)/T] and k(3)=(5.35±3.34)×10(-12) exp[(180±194)/T]. In addition, the rate coefficients for reactions of the three esters with Cl atoms are determined by the relative-rate method at room temperature and atmospheric pressure. The rate coefficients measured are (in units of 10(-10) cm(3) molecule(-1) s(-1)) as follows: n-propyl butyrate (1.4±0.1), n-butyl propionate (1.6±0.1), and n-butyl butyrate (1.7±0.1). The values obtained are presented, compared with previous determinations and discussed. Reactivity trends and atmospheric implications resulting from this work are also presented.
The HD+ dissociative recombination rate coefficient at low temperature
Directory of Open Access Journals (Sweden)
Wolf A.
2015-01-01
Full Text Available The effect of the rotational temperature of the ions is considered for low-energy dissociative recombination (DR of HD+. Merged beams measurements with HD+ ions of a rotational temperature near 300 K are compared to multichannel quantum defect theory calculations. The thermal DR rate coefficient for a Maxwellian electron velocity distribution is derived from the merged-beams data and compared to theoretical results for a range of rotational temperatures. Good agreement is found for the theory with 300 K rotational temperature. For a low-temperature plasma environment where also the rotational temperature assumes 10 K, theory predicts a considerably higher thermal DR rate coefficient. The origin of this is traced to predicted resonant structures of the collision-energy dependent DR cross section at few-meV collision energies for the particular case of HD+ ions in the rotational ground state.
The 95% confidence intervals of error rates and discriminant coefficients
Directory of Open Access Journals (Sweden)
Shuichi Shinmura
2015-02-01
Full Text Available Fisher proposed a linear discriminant function (Fisher’s LDF. From 1971, we analysed electrocardiogram (ECG data in order to develop the diagnostic logic between normal and abnormal symptoms by Fisher’s LDF and a quadratic discriminant function (QDF. Our four years research was inferior to the decision tree logic developed by the medical doctor. After this experience, we discriminated many data and found four problems of the discriminant analysis. A revised Optimal LDF by Integer Programming (Revised IP-OLDF based on the minimum number of misclassification (minimum NM criterion resolves three problems entirely [13, 18]. In this research, we discuss fourth problem of the discriminant analysis. There are no standard errors (SEs of the error rate and discriminant coefficient. We propose a k-fold crossvalidation method. This method offers a model selection technique and a 95% confidence intervals (C.I. of error rates and discriminant coefficients.
Determination of sedimentation rates and absorption coefficient of ...
African Journals Online (AJOL)
DR. MIKE HORSFALL
Email: vicmkpenie2@yahoo.com. Determination of sedimentation rates and absorption coefficient of insoluble metal carbonates. 1*MKPENIE, V N; 2ONWU, F K .... copper cobalt nickel. Linear. (nickel). 0. 0.01. 0.02. 0.03. 0.04. 0.05. 0.06. 0.00E+00. 5.00E-04. 1.00E-03. 1.50E-03. Sedimentation constants (/s) particle.
An Efficient Statistical Method to Compute Molecular Collisional Rate Coefficients
Loreau, Jérôme; Lique, François; Faure, Alexandre
2018-01-01
Our knowledge about the “cold” universe often relies on molecular spectra. A general property of such spectra is that the energy level populations are rarely at local thermodynamic equilibrium. Solving the radiative transfer thus requires the availability of collisional rate coefficients with the main colliding partners over the temperature range ∼10–1000 K. These rate coefficients are notoriously difficult to measure and expensive to compute. In particular, very few reliable collisional data exist for inelastic collisions involving reactive radicals or ions. In this Letter, we explore the use of a fast quantum statistical method to determine molecular collisional excitation rate coefficients. The method is benchmarked against accurate (but costly) rigid-rotor close-coupling calculations. For collisions proceeding through the formation of a strongly bound complex, the method is found to be highly satisfactory up to room temperature. Its accuracy decreases with decreasing potential well depth and with increasing temperature, as expected. This new method opens the way to the determination of accurate inelastic collisional data involving key reactive species such as {{{H}}}3+, H2O+, and H3O+ for which exact quantum calculations are currently not feasible.
Automatic estimation of pressure-dependent rate coefficients
Allen, Joshua W.
2012-01-01
A general framework is presented for accurately and efficiently estimating the phenomenological pressure-dependent rate coefficients for reaction networks of arbitrary size and complexity using only high-pressure-limit information. Two aspects of this framework are discussed in detail. First, two methods of estimating the density of states of the species in the network are presented, including a new method based on characteristic functional group frequencies. Second, three methods of simplifying the full master equation model of the network to a single set of phenomenological rates are discussed, including a new method based on the reservoir state and pseudo-steady state approximations. Both sets of methods are evaluated in the context of the chemically-activated reaction of acetyl with oxygen. All three simplifications of the master equation are usually accurate, but each fails in certain situations, which are discussed. The new methods usually provide good accuracy at a computational cost appropriate for automated reaction mechanism generation. This journal is © the Owner Societies.
Papadimitriou, Vassileios C; Karafas, Emmanuel S; Gierczak, Tomasz; Burkholder, James B
2015-07-16
The gas-phase CH3CO + O2 reaction is known to proceed via a chemical activation mechanism leading to the formation of OH and CH3C(O)OO radicals via bimolecular and termolecular reactive channels, respectively. In this work, rate coefficients, k, for the CH3CO + O2 reaction were measured over a range of temperature (241-373 K) and pressure (0.009-600 Torr) with He and N2 as the bath gas and used to characterize the bi- and ter-molecular reaction channels. Three independent experimental methods (pulsed laser photolysis-laser-induced fluorescence (PLP-LIF), pulsed laser photolysis-cavity ring-down spectroscopy (PLP-CRDS), and a very low-pressure reactor (VLPR)) were used to characterize k(T,M). PLP-LIF was the primary method used to measure k(T,M) in the high-pressure regime under pseudo-first-order conditions. CH3CO was produced by PLP, and LIF was used to monitor the OH radical bimolecular channel reaction product. CRDS, a complementary high-pressure method, measured k(295 K,M) over the pressure range 25-600 Torr (He) by monitoring the temporal CH3CO radical absorption following its production via PLP in the presence of excess O2. The VLPR technique was used in a relative rate mode to measure k(296 K,M) in the low-pressure regime (9-32 mTorr) with CH3CO + Cl2 used as the reference reaction. A kinetic mechanism analysis of the combined kinetic data set yielded a zero pressure limit rate coefficient, kint(T), of (6.4 ± 4) × 10(-14) exp((820 ± 150)/T) cm(3) molecule(-1) s(-1) (with kint(296 K) measured to be (9.94 ± 1.3) × 10(-13) cm(3) molecule(-1) s(-1)), k0(T) = (7.39 ± 0.3) × 10(-30) (T/300)(-2.2±0.3) cm(6) molecule(-2) s(-1), and k∞(T) = (4.88 ± 0.05) × 10(-12) (T/300)(-0.85±0.07) cm(3) molecule(-1) s(-1) with Fc = 0.8 and M = N2. A He/N2 collision efficiency ratio of 0.60 ± 0.05 was determined. The phenomenological kinetic results were used to define the pressure and temperature dependence of the OH radical yield in the CH3CO + O2 reaction. The
Influence of collisional rate coefficients on water vapour excitation
Daniel, F.; Goicoechea, J. R.; Cernicharo, J.; Dubernet, M.-L.; Faure, A.
2012-11-01
Context. Water is a key molecule in many astrophysical studies that deal with star or planet forming regions, evolved stars, and galaxies. Its high dipole moment makes this molecule subthermally populated under the typical conditions of most astrophysical objects. This motivated calculation of various sets of collisional rate coefficients (CRC) for H2O (with He or H2), which are needed to model its rotational excitation and line emission. Aims: The most accurate set of CRC are the quantum rates that involve H2. However, they have been published only recently, and less accurate CRC (quantum with He or quantum classical trajectory (QCT) with H2) were used in many studies before that. This work aims to underline the impact that the new available set of CRC have on interpretations of water vapour observations. Methods: We performed accurate non-local, non-LTE radiative transfer calculations using different sets of CRC to predict the line intensities from transitions that involve the lowest energy levels of H2O (E find that the intensities based on the quantum and QCT CRC are in good agreement. However, at relatively low H2 volume density (n(H2) find differences in the predicted line intensities of up to a factor of ~3 for the bulk of the lines. Most of the recent studies interpreting early Herschel Space Observatory spectra have used the QCT CRC. Our results show that, although the global conclusions from those studies will not be drastically changed, each case has to be considered individually, since depending on the physical conditions, the use of the QCT CRC may lead to a mis-estimate of the water vapour abundance of up to a factor of ~3. Additionally, the comparison of the quantum state-to-state and thermalised CRC, including the description of the population of the H2 rotational levels, show that above TK ~ 100 K, large differences are expected from those two sets for the p-H2 symmetry. Finally, we find that at low temperature (i.e. TK < 100 K) modelled line
The relationship between elimination rates and partition coefficients of chemical compounds.
Kooijman, S.A.L.M.; Jager, D.T.; Kooi, B.W.
2004-01-01
Rate constants for uptake and elimination of chemicals in organisms are often related to partition coefficients (typically the octanol-water partition coefficient). We show that the well-mixed one-compartment model for toxico-kinetics implies that the elimination rate is inversely proportional to
Energy Technology Data Exchange (ETDEWEB)
Kato, T.; Asano, E. [National Institute for Fusion Science, Toki, Gifu (Japan)
1999-06-01
Recombination rate coefficients based on several empirical formulae are compared for ions of H, He, C, N, O, Ne, Na, Mg, Al, Si, S, P, Cl, Ar, Ca, Fe and Ni. The total rate coefficients including radiative recombination and dielectronic recombination are shown in graphs. (author)
Dielectronic recombination rate coefficients to excited states of Be-like oxygen
Energy Technology Data Exchange (ETDEWEB)
Murakami, Izumi; Safronova, Ulyana I.; Kato, Takako
2001-05-01
We have calculated energy levels, radiative transition probabilities, and autoionization rates for Be-like oxygen (O{sup 4+}) including ls{sup 2}2lnl' (n=2 - 8, l {<=} n - 1) and 1s{sup 2}3l'nl (n=3 - 6, l {<=} n - l) states by multi-configurational Hartree-Fock method (Cowan code) and perturbation theory Z-expansion method (MZ code). The state selective dielectronic recombination rate coefficients to excited states of Be-like O ions are obtained. Configuration mixing plays an important role for the principal quantum number n distribution of the dielectronic recombination rate coefficients for 2snl (n {<=} 5) levels at low electron temperature. The orbital angular momentum quantum number l distribution of the rate coefficients shows a peak at l = 4. The total dielectronic recombination rate coefficient is derived as a function of electron temperature. (author)
C. de Koning (Camiel); S. Straetmans
1997-01-01
textabstractWe investigate the potential presence of time variation in the coefficients of the ''Fama regression'' for Uncovered Interest Rate Parity. We implement coefficient constancy tests, rolling regression techniques, and stochastic coefficient models based on state space modelling. Among six
Rate Coefficient Measurements of the Reaction CH3 + O2 = CH3O + O
Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.
1999-01-01
Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, sub -0.47 ) x 10(exp 13) e(-15813 +/- 587 K/T)/cubic cm.mol.s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.
New potential energy surface for the HCS(+)-He system and inelastic rate coefficients.
Dubernet, Marie-Lise; Quintas-Sánchez, Ernesto; Tuckey, Philip
2015-07-28
A new high quality potential energy surface is calculated at a coupled-cluster single double triple level with an aug-cc-pV5Z basis set for the HCS(+)-He system. This potential energy surface is used in low energy quantum scattering calculations to provide a set of (de)-excitation cross sections and rate coefficients among the first 20 rotational levels of HCS(+) by He in the range of temperature from 5 K to 100 K. The paper discusses the impact of the new ab initio potential energy surface on the cross sections at low energy and provides a comparison with the HCO(+)-He system. The HCS(+)-He rate coefficients for the strongest transitions differ by factors of up to 2.5 from previous rate coefficients; thus, analysis of astrophysical spectra should be reconsidered with the new rate coefficients.
Rate Coefficient Measurements of the Reaction CH3+O2+CH3O+O
Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.
1999-01-01
Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, -0.47)) X 10(exp 13) exp(- 15813 +/- 587 K/T)cc/mol s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.
Rate coefficients of open shell molecules and radicals: R-matrix ...
Indian Academy of Sciences (India)
We have computed and presented here the rate coefficient of these open shell molecules ( O 2 , S 2 , B 2 ) and radicals (PH, NH,SO) from the results of our previous studies using a well-established a b − i n i t i o formalism: the R -matrix method. The rate coefficients for elastic and electron-excited processes are studied over ...
Cross Sections and Rate Coefficients for Vibrational Excitation of HeH+ Molecule by Electron Impact
Directory of Open Access Journals (Sweden)
Mehdi Ayouz
2016-12-01
Full Text Available Cross sections and thermally-averaged rate coefficients for vibration (de-excitation of HeH + by an electron impact are computed using a theoretical approach that combines the multi-channel quantum defect theory and the UK R-matrix code. Fitting formulas with a few numerical parameters are derived for the obtained rate coefficients. The interval of applicability of the formulas is from 40 to 10,000 K.
Perez Pedro B.; Hamawi John N.
2017-01-01
Nuclear power plant radiation protection design features are based on radionuclide source terms derived from conservative assumptions that envelope expected operating experience. Two parameters that significantly affect the radionuclide concentrations in the source term are failed fuel fraction and effective fission product appearance rate coefficients. Failed fuel fraction may be a regulatory based assumption such as in the U.S. Appearance rate coefficients are not specified in regulatory re...
The excitation of OH by H2 revisited - I: fine-structure resolved rate coefficients
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.
Organ and effective dose rate coefficients for submersion exposure in occupational settings
Energy Technology Data Exchange (ETDEWEB)
Veinot, K.G. [Easterly Scientific, Knoxville, TN (United States); Y-12 National Security Complex, Oak Ridge, TN (United States); Dewji, S.A.; Hiller, M.M. [Center for Radiation Protection Knowledge, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Eckerman, K.F.; Easterly, C.E. [Easterly Scientific, Knoxville, TN (United States)
2017-11-15
External dose coefficients for environmental exposure scenarios are often computed using assumption on infinite or semi-infinite radiation sources. For example, in the case of a person standing on contaminated ground, the source is assumed to be distributed at a given depth (or between various depths) and extending outwards to an essentially infinite distance. In the case of exposure to contaminated air, the person is modeled as standing within a cloud of infinite, or semi-infinite, source distribution. However, these scenarios do not mimic common workplace environments where scatter off walls and ceilings may significantly alter the energy spectrum and dose coefficients. In this paper, dose rate coefficients were calculated using the International Commission on Radiological Protection (ICRP) reference voxel phantoms positioned in rooms of three sizes representing an office, laboratory, and warehouse. For each room size calculations using the reference phantoms were performed for photons, electrons, and positrons as the source particles to derive mono-energetic dose rate coefficients. Since the voxel phantoms lack the resolution to perform dose calculations at the sensitive depth for the skin, a mathematical phantom was developed and calculations were performed in each room size with the three source particle types. Coefficients for the noble gas radionuclides of ICRP Publication 107 (e.g., Ne, Ar, Kr, Xe, and Rn) were generated by folding the corresponding photon, electron, and positron emissions over the mono-energetic dose rate coefficients. Results indicate that the smaller room sizes have a significant impact on the dose rate per unit air concentration compared to the semi-infinite cloud case. For example, for Kr-85 the warehouse dose rate coefficient is 7% higher than the office dose rate coefficient while it is 71% higher for Xe-133. (orig.)
Schwenke, David W.; Jaffe, Richard L.; Chaban, Galina M.
2016-01-01
We have generated accurate global potential energy surfaces for CO+Ar and CO+O that correlate with atom-diatom pairs in their ground electronic states based on extensive ab initio electronic structure calculations and used these potentials in quasi-classical trajectory nuclear dynamics calculations to predict the thermal dissociation rate coefficients over 5000- 35000 K. Our results are not compatible with the 20-45 year old experimental results. For CO + Ar we obtain fairly good agreement with the experimental rate coefficients of Appleton et al. (1970) and Mick and Roth (1993), but our computed rate coefficients exhibit a stronger temperature dependence. For CO + O our dissociation rate coefficient is in close agreement with the value from the Park model, which is an empirical adjustment of older experimental results. However, we find the rate coefficient for CO + O is only 1.5 to 3.3 times larger than CO + Ar over the temperature range of the shock tube experiments (8000-15,000 K). The previously accepted value for this rate coefficient ratio is 15, independent of temperature. We also computed the rate coefficient for the CO + O ex- change reaction which forms C + O2. We find this reaction is much faster than previously believed and is the dominant process in the removal of CO at temperatures up to 16,000 K. As a result, the dissociation of CO is accomplished in two steps (react to form C+O2 and then O2 dissociates) that are endothermic by 6.1 and 5.1 eV, instead of one step that requires 11.2 eV to break the CO bond.
Rate coefficients of open shell molecules and radicals: R-matrix ...
Indian Academy of Sciences (India)
2017-04-07
Apr 7, 2017 ... study uses the results of ab-initio R-matrix method to low-energy scattering of the open shell molecules in the fixed nuclei approximation to compute rate coeffi- cients. The rate coefficients for elastic and electron- excited processes are studied over a wide electron temperature range. The calculations use ...
Banerjee, D.; Bhowmick, P.; Pahari, D.; Santra, S.; Sarkar, S.; Das, B.; Chattopadhyay, K. K.
2017-03-01
Amorphous carbon nanotubes (a-CNTs) were synthesized by solid state reaction. The as prepared a-CNTs were characterized by X-ray diffraction, field emission scanning and high resolution transmission electron microscope and Raman spectroscopy. As-synthesized a-CNTs were used for, the first time, for removing different organic dyes from water. The dyes mainly include Rhodamine B and Methyl Orange and systematic batch mode studies of a-CNTs assisted adsorption have been executed in detail. The removing efficiency of a-CNTs has also been investigated for various sorption parameters like contact time, dosage, pH, initial dye concentration, contact time etc. It is seen that a-CNTs can be material of potential for removal of dyes. In case of Rhodamine B, the maximum time for removal was 45 min whereas for Methyl orange rapid removal was plausible in about 30 min even in ambient condition. The experimental data have been well correlated with classical Langmuir-Freundlich and Temkin adsorption models.
Dielectronic and Trielectronic Recombination Rate Coefficients of Be-like Ar14+
Huang, Z. K.; Wen, W. Q.; Xu, X.; Mahmood, S.; Wang, S. X.; Wang, H. B.; Dou, L. J.; Khan, N.; Badnell, N. R.; Preval, S. P.; Schippers, S.; Xu, T. H.; Yang, Y.; Yao, K.; Xu, W. Q.; Chuai, X. Y.; Zhu, X. L.; Zhao, D. M.; Mao, L. J.; Ma, X. M.; Li, J.; Mao, R. S.; Yuan, Y. J.; Wu, B.; Sheng, L. N.; Yang, J. C.; Xu, H. S.; Zhu, L. F.; Ma, X.
2018-03-01
Electron–ion recombination of Be-like 40Ar14+ has been measured by employing the electron–ion merged-beams method at the cooler storage ring CSRm. The measured absolute recombination rate coefficients for collision energies from 0 to 60 eV are presented, covering all dielectronic recombination (DR) resonances associated with 2s 2 → 2s2p core transitions. In addition, strong trielectronic recombination (TR) resonances associated with 2s 2 → 2p 2 core transitions were observed. Both DR and TR processes lead to series of peaks in the measured recombination spectrum, which have been identified by the Rydberg formula. Theoretical calculations of recombination rate coefficients were performed using the state-of-the-art multi-configuration Breit–Pauli atomic structure code AUTOSTRUCTURE to compare with the experimental results. The plasma rate coefficients for DR+TR of Ar14+ were deduced from the measured electron–ion recombination rate coefficients in the temperature range from 103 to 107 K, and compared with calculated data from the literature. The experimentally derived plasma rate coefficients are 60% larger and 30% lower than the previously recommended atomic data for the temperature ranges of photoionized plasmas and collisionally ionized plasmas, respectively. However, good agreement was found between experimental results and the calculations by Gu and Colgan et al. The plasma rate coefficients deduced from experiment and calculated by the current AUTOSTRUCTURE code show agreement that is better than 30% from 104 to 107 K. The present results constitute a set of benchmark data for use in astrophysical modeling.
Suzuki, Susumu; Itoh, Haruo
2009-10-01
It has already been investigated on the determination of the collisional quenching rate coefficients of the metastable nitrogen molecules N2(A^3σu^+ ) by some air pollutants [1] in our laboratory. In this report, we present the result on the collisional quenching rate coefficient of N2(A^3σu^+ ) by formaldehyde (CH2O) using a theoretical procedure that takes into account the reflection of metastables at the boundary. As far as we know, this report is the first result of the collisional quenching rate coefficients of N2(A^3σu^+ ) by CH2O. Formaldehyde is a colorless gas with the foul odor, and elements of the adhesive, paints, and preservative, etc. It is widely used for construction materials such as houses, because it is low cost. It is released from paint of construction materials in air, and, in that case, it is known as one of the causative agents of so-called ``Sick building syndrome'' to influence the human body harmfully even if it is a low concentration. The obtained collisional quenching rate coefficient of N2(A^3σu^+ ) by CH2O is (4.7±0.4) x 10-12 cm^3/s. Because the collisional quenching rate coefficient by CH2O is large, it is understood that CH2O receives energy easily from N2(A^3σu^+ ). In addition, we reports on the obtained collisional quenching rate coefficient of N2(A^3σu^+ ) by some air pollutants. [1] S. Suzuki, T.Suzuki and H.Itoh: Proc. of XXVIII ICPIG (Prague, Czech Republic), (2007) 1P01-40.
Zawawi, N. N. M.; Azmi, W. H.; Redhwan, A. A. M.; Sharif, M. Z.
2017-10-01
Wear of sliding parts and operational machine consistency enhancement can be avoided with good lubrication. Lubrication reduce wear between two contacting and sliding surfaces and decrease the frictional power losses in compressor. The coefficient of friction and wear rate effects study were carried out to measure the friction and anti-wear abilities of Al2O3-SiO2 composite nanolubricants a new type of compressor lubricant to enhanced the compressor performances. The tribology test rig employing reciprocating test conditions to replicate a piston ring contact in the compressor was used to measure the coefficient of friction and wear rate. Coefficient of friction and wear rate effects of different Al2O3-SiO2/PAG composite nanolubricants of Aluminium 2024 plate for 10-kg load at different speed were investigated. Al2O3 and SiO2 nanoparticles were dispersed in the Polyalkylene Glycol (PAG 46) lubricant using two-steps method of preparation. The result shows that the coefficient friction and wear rate of composite nanolubricants decreased compared to pure lubricant. The maximum reduction achievement for friction of coefficient and wear rate by Al2O3-SiO2 composite nanolubricants by 4.78% and 12.96% with 0.06% volume concentration. Therefore, 0.06% volume concentration is selected as the most enhanced composite nanolubricants with effective coefficient of friction and wear rate reduction compared to other volume concentrations. Thus, it is recommended to be used as the compressor lubrication to enhanced compressor performances.
Suleimanov, Yury V; Aoiz, F Javier; Guo, Hua
2016-11-03
This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques for calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.
Directory of Open Access Journals (Sweden)
Shim S.M.
2012-01-01
Full Text Available The performance of the CO2 absorber column using mono-ethanolamine (MEA solution as chemical solvent are predicted by a One-Dimensional (1-D rate based model in the present study. 1-D Mass and heat balance equations of vapor and liquid phase are coupled with interfacial mass transfer model and vapor-liquid equilibrium model. The two-film theory is used to estimate the mass transfer between the vapor and liquid film. Chemical reactions in MEA-CO2-H2O system are considered to predict the equilibrium pressure of CO2 in the MEA solution. The mathematical and reaction kinetics models used in this work are calculated by using in-house code. The numerical results are validated in the comparison of simulation results with experimental and simulation data given in the literature. The performance of CO2 absorber column is evaluated by the 1-D rate based model using various reaction rate coefficients suggested by various researchers. When the rate of liquid to gas mass flow rate is about 8.3, 6.6, 4.5 and 3.1, the error of CO2 loading and the CO2 removal efficiency using the reaction rate coefficients of Aboudheir et al. is within about 4.9 % and 5.2 %, respectively. Therefore, the reaction rate coefficient suggested by Aboudheir et al. among the various reaction rate coefficients used in this study is appropriate to predict the performance of CO2 absorber column using MEA solution. [Acknowledgement. This research was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF, funded by the Ministry of Education, Science and Technology (2011-0017220].
Directory of Open Access Journals (Sweden)
Perez Pedro B.
2017-01-01
Full Text Available Nuclear power plant radiation protection design features are based on radionuclide source terms derived from conservative assumptions that envelope expected operating experience. Two parameters that significantly affect the radionuclide concentrations in the source term are failed fuel fraction and effective fission product appearance rate coefficients. Failed fuel fraction may be a regulatory based assumption such as in the U.S. Appearance rate coefficients are not specified in regulatory requirements, but have been referenced to experimental data that is over 50 years old. No doubt the source terms are conservative as demonstrated by operating experience that has included failed fuel, but it may be too conservative leading to over-designed shielding for normal operations as an example. Design basis source term methodologies for normal operations had not advanced until EPRI published in 2015 an updated ANSI/ANS 18.1 source term basis document. Our paper revisits the fission product appearance rate coefficients as applied in the derivation source terms following the original U.S. NRC NUREG-0017 methodology. New coefficients have been calculated based on recent EPRI results which demonstrate the conservatism in nuclear power plant shielding design.
Transitions in genetic toggle switches driven by dynamic disorder in rate coefficients
Chen, Hang; Thill, Peter; Cao, Jianshu
2016-05-01
In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes with the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.
Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide.
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.
Energy Technology Data Exchange (ETDEWEB)
Gierczak, T.; Talukdar, R.; Lovejoy, E.R.; Ravishankara, A.R. (National Oceanic and Atmospheric Administration, Boulder, CO (USA) Univ. of Colorado, Boulder (USA)); Vaghjiani, G.L. (Univ. of Dayton Research Inst., Edwards AFB, CA (USA))
1991-03-20
The rate coefficients for the reactions of OH with five halocarbons (CF{sub 3}CH{sub 2} (HFC 134a), CF{sub 3}CHClF (HCFC 124), CF{sub 3}CHCl{sub 2} (HCFC 123), CH{sub 3}CHF{sub 2} (HFC 152a), and CH{sub 3}CF{sub 2}Cl (HCFC 142b)), which are proposed as alternatives to chlorofluoromethanes, have been measured. A pulsed pholtolysis system and a discharge flow apparatus were used to measure the rate coefficients between approximately 210 and 425 K. Use of the complementary techniques enabled identification of systematic errors and minimization of these errors. The obtained values are compared with values previously measured by other groups. This data base is used in the subsequent paper to calculate the atmospheric lifetimes of the five compounds.
On the validity of the Arrhenius equation for electron attachment rate coefficients.
Fabrikant, Ilya I; Hotop, Hartmut
2008-03-28
The validity of the Arrhenius equation for dissociative electron attachment rate coefficients is investigated. A general analysis allows us to obtain estimates of the upper temperature bound for the range of validity of the Arrhenius equation in the endothermic case and both lower and upper bounds in the exothermic case with a reaction barrier. The results of the general discussion are illustrated by numerical examples whereby the rate coefficient, as a function of temperature for dissociative electron attachment, is calculated using the resonance R-matrix theory. In the endothermic case, the activation energy in the Arrhenius equation is close to the threshold energy, whereas in the case of exothermic reactions with an intermediate barrier, the activation energy is found to be substantially lower than the barrier height.
Friction coefficients and wear rates of different orthodontic archwires in artificial saliva.
Alfonso, M V; Espinar, E; Llamas, J M; Rupérez, E; Manero, J M; Barrera, J M; Solano, E; Gil, F J
2013-05-01
The aim of this paper is to analyze the influence of the nature of the orthodontic archwires on the friction coefficient and wear rate against materials used commonly as brackets (Ti-6Al-4V and 316L Stainless Steel). The materials selected as orthodontic archwires were ASI304 stainless steel, NiTi, Ti, TiMo and NiTiCu. The array archwire's materials selected presented very similar roughness but different hardness. Materials were chosen from lower and higher hardness degrees than that of the brackets. Wear tests were carried out at in artificial saliva at 37 °C. Results show a linear relationship between the hardness of the materials and the friction coefficients. The material that showed lower wear rate was the ASI304 stainless steel. To prevent wear, the wire and the brackets have high hardness values and in the same order of magnitude.
Non-Self-Similar Dead-Core Rate for the Fast Diffusion Equation with Dependent Coefficient
Directory of Open Access Journals (Sweden)
Liping Zhu
2014-01-01
Full Text Available We consider the dead-core problem for the fast diffusion equation with spatially dependent coefficient and show that the temporal dead-core rate is non-self-similar. The proof is based on the standard compactness arguments with the uniqueness of the self-similar solutions and the precise estimates on the single-point final dead-core profile.
Rate coefficients for the reactions of hydroxyl radicals with methane and deuterated methanes
Energy Technology Data Exchange (ETDEWEB)
Gierczak, T.; Talukdar, R.K.; Herndon, S.C.; Vaghjiani, G.L.; Ravishankara, A.R. [National Oceanic and Atmospheric Administration, Boulder, CO (United States)]|[Univ. of Colorado, Boulder, CO (United States)
1997-04-24
The rate coefficients for the reaction of OH with CH{sub 3}D (k{sub 1}), CH{sub 2}D{sub 2} (k{sub 2}), CHD{sub 3} (k{sub 3}), CD{sub 4} (k{sub 4}), and CH{sub 4} (k{sub 5}) as well as that of OD with CH{sub 4} (k{sub 6}) have been measured using the pulsed photolytic production of OH followed by its detection via pulsed laser induced fluorescence. k{sub 1}-k{sub 4} and k{sub 6} were measured between {approx}220 and {approx}415 K, while k{sub 5} was measured down to 195 K. The measured rate coefficients do not strictly obey the Arrhenius expression. However, below 298 K, they can be represented by a given expression. The obtained values of the rate coefficients and kinetic isotope effects are compared with values previously measured or calculated by other groups. The atmospheric implications of this data are briefly discussed. 33 refs., 4 figs., 7 tabs.
Jameson, A. R.
1990-01-01
The relationship between the rainfall rate (R) obtained from radiometric brightness temperatures and the extinction coefficient (k sub e) is investigated by computing the values of k sub e over a wide range of rainfall rates, for frequencies from 3 to 25 GHz. The results show that the strength of the relation between the R and the k sub e values exhibits considerable variation for frequencies at this range. Practical suggestions are made concerning the selection of particular frequencies for rain measurements to minimize the error in R determinations.
Cross sections and rate coefficients for electron-impact ionization of hydrocarbon molecules
Energy Technology Data Exchange (ETDEWEB)
Janev, R.K.; Murakami, I.; Kato, T. [National Inst. for Fusion Science, Toki, Gifu (Japan); Wang, J.G. [Univ. of Georgia, Department of Physics and Astronomy, Athens, GA (United States)
2001-10-01
A critical assessment of available experimental and theoretical cross sections for electron-impact direct and dissociative ionization of hydrocarbon molecules, C{sub x}H{sub y} (x=1 - 3, 1 {<=} y {<=} 2x + 2), has been carried out. Recommended cross sections are suggested in the energy range from threshold to 10 keV for those reaction channels for which more than one set of data were found in the literatures. For the molecules for which no cross section information was found available, the cross sections for the dominant ionization channels were derived on the basis semi-empirical cross section relationships. The recommended and derived cross sections are represented by analytic fit functions, the coefficients of which are provided. The rate coefficients for all the ionization channels have been calculated in the temperature range from 1 eV to 1 keV. The cross sections and rate coefficients for all studied ionization channels are presented in graphical form as well. (author)
Fnk Model of Cracking Rate Calculus for a Variable Asymmetry Coefficient
Roşca, Vâlcu; Miriţoiu, Cosmin Mihai
2017-12-01
In the process of materials fracture, a very important parameter to study is the cracking rate growth da/dN. This paper proposes an analysis of the cracking rate, in a comparative way, by using four mathematical models:1 - polynomial method, by using successive iterations according to the ASTM E647 standard; 2 - model that uses the Paris formula; 3 - Walker formula method; 4 - NASGRO model or Forman - Newman - Konig equation, abbreviated as FNK model. This model is used in the NASA programs studies. For the tests, CT type specimens were made from stainless steel, V2A class, 10TiNiCr175 mark, and loaded to a variable tensile test axial - eccentrically, with the asymmetry coefficients: R= 0.1, 0.3 and 0.5; at the 213K (-60°C) temperature. There are analyzed the cracking rates variations according to the above models, especially through FNK method, highlighting the asymmetry factor variation.
Dose Rate and Mass Attenuation Coefficients of Gamma Ray for Concretes
Abdel-Latif, A A; Kansouh, W A; El-Sayed, F H
2003-01-01
This work is concerned with the study of the leakage gamma ray dose and mass attenuation coefficients for ordinary, basalt and dolomite concretes made from local ores. Concretes under investigation were constructed from gravel, basalt and dolomite ores, and then reconstructed with the addition of 3% steel fibers by weight. Measurements were carried out using a collimated beam from sup 6 sup 0 Co gamma ray source and sodium iodide (3x3) crystal with the genie 2000 gamma spectrometer. The obtained fluxes were transformed to gamma ray doses and displayed in the form of gamma ray dose rates distribution. The displayed curves were used to estimate the linear attenuation coefficients (mu), the relaxation lengths (lambda), half value layer (t sub 1 /2) and tenth value layer (t sub 1 /10). Also, The total mass attenuation coefficients of gamma ray have been calculated to the concerned concretes using XCOM (version 3.1) program and database elements cross sections from Z=1 to 100 at energies from 10 keV to 100 MeV. In...
Collision rate coefficient for charged dust grains in the presence of linear shear
Yang, Huan; Hogan, Christopher J.
2017-09-01
Like and oppositely charged particles or dust grains in linear shear flows are often driven to collide with one another by fluid and/or electrostatic forces, which can strongly influence particle-size distribution evolution. In gaseous media, collisions in shear are further complicated because particle inertia can influence differential motion. Expressions for the collision rate coefficient have not been developed previously which simultaneously account for the influences of linear shear, particle inertia, and electrostatic interactions. Here, we determine the collision rate coefficient accounting for the aforementioned effects by determining the collision area, i.e., the area of the plane perpendicular to the shear flow defining the relative initial locations of particles which will collide with one another. Integration of the particle flux over this area yields the collision rate. Collision rate calculations are parametrized as an enhancement factor, i.e., the ratio of the collision rate considering potential interactions and inertia to the traditional collision rate considering laminar shear only. For particles of constant surface charge density, the enhancement factor is found dependent only on the Stokes number (quantifying particle inertia), the electrostatic energy to shear energy ratio, and the ratio of colliding particle radii. Enhancement factors are determined for Stokes numbers in the 0-10 range and energy ratios up to 5. Calculations show that the influences of both electrostatic interactions and inertia are significant; for inertialess (St =0 ) equal-sized and oppositely charged particles, we find that even at energy ratios as low as 0.2, enhancement factors are in excess of 2. For the same situation but like-charged particles, enhancement factors fall below 0.5. Increasing the Stokes number acts to mitigate the influence of electrostatic potentials for both like and oppositely charged particles; i.e., inertia reduces the enhancement factor for
Estimating Reaction Rate Coefficients Within a Travel-Time Modeling Framework
Energy Technology Data Exchange (ETDEWEB)
Gong, R [Georgia Institute of Technology; Lu, C [Georgia Institute of Technology; Luo, Jian [Georgia Institute of Technology; Wu, Wei-min [Stanford University; Cheng, H. [Stanford University; Criddle, Craig [Stanford University; Kitanidis, Peter K. [Stanford University; Gu, Baohua [ORNL; Watson, David B [ORNL; Jardine, Philip M [ORNL; Brooks, Scott C [ORNL
2011-03-01
A generalized, efficient, and practical approach based on the travel-time modeling framework is developed to estimate in situ reaction rate coefficients for groundwater remediation in heterogeneous aquifers. The required information for this approach can be obtained by conducting tracer tests with injection of a mixture of conservative and reactive tracers and measurements of both breakthrough curves (BTCs). The conservative BTC is used to infer the travel-time distribution from the injection point to the observation point. For advection-dominant reactive transport with well-mixed reactive species and a constant travel-time distribution, the reactive BTC is obtained by integrating the solutions to advective-reactive transport over the entire travel-time distribution, and then is used in optimization to determine the in situ reaction rate coefficients. By directly working on the conservative and reactive BTCs, this approach avoids costly aquifer characterization and improves the estimation for transport in heterogeneous aquifers which may not be sufficiently described by traditional mechanistic transport models with constant transport parameters. Simplified schemes are proposed for reactive transport with zero-, first-, nth-order, and Michaelis-Menten reactions. The proposed approach is validated by a reactive transport case in a two-dimensional synthetic heterogeneous aquifer and a field-scale bioremediation experiment conducted at Oak Ridge, Tennessee. The field application indicates that ethanol degradation for U(VI)-bioremediation is better approximated by zero-order reaction kinetics than first-order reaction kinetics.
Kramers-Moyal coefficients in the analysis and modeling of heart rate variability
Petelczyc, M.; Żebrowski, J. J.; Baranowski, R.
2009-09-01
Modeling of recorded time series may be used as a method of analysis for heart rate variability studies. In particular, the extraction of the first two Kramers-Moyal coefficients has been used in this context. Recently, the method was applied to a wide range of signal analysis: from financial data to physiological and biological time series. Modeling of the signal is important for the prediction and interpretation of the dynamics underlying the process. The method requires the determination of the Markov time. Obtaining the drift and diffusion term of the Kramers-Moyal expansion is crucial for the modeling of the original time series with the Langevin equation. Both Tabar [Comput. Sci. Eng. 8, 54 (2006)] and T. Kuusela [Phys. Rev. E 69, 031916 (2004)] suggested that these terms may be used to distinguish healthy subjects from those with heart failure. The research groups applied a somewhat different methodology and obtained substantially different ranges of the Markov time. We show that the two studies may be considered consistent with each other as Kuusela analyzed 24 h recordings while Tabar analyzed daytime and nighttime recordings, separately. However, both groups suggested using the Langevin equation for modeling of time series which requires the fluctuation force to be a Gaussian. We analyzed heart rate variability recordings for ten young male (age 26-4+3y ) healthy subjects. 24 h recordings were analyzed and 6-h-long daytime and nighttime fragments were selected. Similar properties of the data were observed in all recordings but all the nighttime data and seven of the ten 24 h series exhibited higher-order, non-negligible Kramers-Moyal coefficients. In such a case, the reconstruction of the time series using the Langevin equation is impossible. The non-negligible higher-order coefficients are due to autocorrelation in the data. This effect may be interpreted as a result of a physiological phenomenon (especially occurring for nighttime data): respiratory
Nishiyama, Yoshio; Terazima, Masahide; Kimura, Yoshifumi
2009-04-16
The diffusion coefficients of diiodide anion radical, I(2)(-), in room temperature ionic liquids (RTILs) were determined by the transient grating (TG) method using the photochemical reaction of iodide. The diffusion coefficients we obtained were larger in RTILs than the theoretical predictions by the Stokes-Einstein relation, whereas both values are similar in conventional solvents. By comparison with the diffusion coefficients of neutral molecules, it was suggested that the Coulomb interaction between I(2)(-) and constituent ions of RTILs strongly affects the diffusion coefficients. The bimolecular reaction rates between I(2)(-) were calculated by the Debye-Smoluchowski equation using the experimentally determined diffusion coefficients. These calculated reaction rate were much smaller than the experimentally determined rates (Takahashi, K.; et al. J. Phys. Chem. B 2007, 111, 4807), indicating the charge screening effect of RTILs.
Cold collisions of SH- with He: Potential energy surface and rate coefficients
Bop, C. T.; Trabelsi, T.; Hammami, K.; Mogren Al Mogren, M.; Lique, F.; Hochlaf, M.
2017-09-01
Collisional energy transfer under cold conditions is of great importance from the fundamental and applicative point of view. Here, we investigate low temperature collisions of the SH- anion with He. We have generated a three-dimensional potential energy surface (PES) for the SH-(X1Σ+)-He(1S) van der Waals complex. The ab initio multi-dimensional interaction PES was computed using the explicitly correlated coupled cluster approach with simple, double, and perturbative triple excitation in conjunction with the augmented-correlation consistent-polarized valence triple zeta Gaussian basis set. The PES presents two minima located at linear geometries. Then, the PES was averaged over the ground vibrational wave function of the SH- molecule and the resulting two-dimensional PES was incorporated into exact quantum mechanical close coupling calculations to study the collisional excitation of SH- by He. We have computed inelastic cross sections among the 11 first rotational levels of SH- for energies up to 2500 cm-1. (De-)excitation rate coefficients were deduced for temperatures ranging from 1 to 300 K by thermally averaging the cross sections. We also performed calculations using the new PES for a fixed internuclear SH- distance. Both sets of results were found to be in reasonable agreement despite differences existing at low temperatures confirming that accurate predictions require the consideration of all internal degrees of freedom in the case of molecular hydrides. The rate coefficients presented here may be useful in interpreting future experimental work on the SH- negative ion colliding with He as those recently done for the OH--He collisional system as well as for possible astrophysical applications in case SH- would be detected in the interstellar medium.
Rate Coefficients of the Reaction of OH with Allene and Propyne at High Temperatures
Es-sebbar, Et-touhami
2016-09-28
Allene (H2C═C═CH2; a-C3H4) and propyne (CH3C≡CH; p-C3H4) are important species in various chemical environments. In combustion processes, the reactions of hydroxyl radicals with a-C3H4 and p-C3H4 are critical in the overall fuel oxidation system. In this work, rate coefficients of OH radicals with allene (OH + H2C═C═CH2 → products) and propyne (OH + CH3C≡CH → products) were measured behind reflected shock waves over the temperature range of 843–1352 K and pressures near 1.5 atm. Hydroxyl radicals were generated by rapid thermal decomposition of tert-butyl hydroperoxide ((CH3)3–CO–OH), and monitored by narrow line width laser absorption of the well-characterized R1(5) electronic transition of the OH A–X (0,0) electronic system near 306.7 nm. Results show that allene reacts faster with OH radicals than propyne over the temperature range of this study. Measured rate coefficients can be expressed in Arrhenius form as follows: kallene+OH(T) = 8.51(±0.03) × 10–22T3.05 exp(2215(±3)/T), T = 843–1352 K; kpropyne+OH(T) = 1.30(±0.07) × 10–21T3.01 exp(1140(±6)/T), T = 846–1335 K.
Energy Technology Data Exchange (ETDEWEB)
Laporta, V. [Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari, Italy and Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Celiberto, R. [Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Italy and Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari (Italy); Tennyson, J. [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)
2014-12-09
Rate coefficients for dissociative electron attachment and electron-impact dissociation processes, involving vibrationally excited molecular oxygen, are presented. Analytical fits of the calculated numerical data, useful in the applications, are also provided.
Dependence of dose coefficients for {sup 239}Pu on transfer rates and absorption parameters
Energy Technology Data Exchange (ETDEWEB)
Suzuki, K.; Sekimoto, H. [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, Tokyo (Japan); Ishigure, N. [Division of Radiotoxicology and Protection, National Institute of Radiological Sciences, Chiba (Japan)
2000-05-01
As it is reported of the biokinetic models and parameter values of the International Commission on Radiological Protection (ICRP) for dose estimation have uncertainties owing to insufficiency of human data. For most radionuclides, the data underlying such models and parameters of ICRP usually depend on animal experiments. Moreover, these values or model parameter are also greatly different between mammalian species. Recently, various radiation protection organizations are considering the biokinetic uncertainties from standpoints of data's sources, quality and completeness. In practice, a sensitivity analysis of doses to parameters is significant for the purpose of risk assessment. In general, movement or material in the body is depicted as a system of first-order processes, and parameter values are expressed as transfer rates between compartments. In this study, we made a code to reproduce the ICRP's dose coefficients for {sup 239}Pu, which is one of the most important elements for occupational exposure and its effective dose is much concerned with its own distribution in the body for dominance of alpha-decay. By using this code, we modified each transfer rate in a factor of 2, 3 and 4 in order to evaluate the effects, and calculated the sensitivities of effective doses due to these changes. Additionally, we examined the effects of modification of absorption parameters f{sub r}, S{sub r} and S{sub s}, which represent the absorption of particles from respiratory tract into blood. Consequently, the transfer rates that give a large sensitivity were specified, and it was shown that changes of transfer rates and absorption parameters are not so influential on effective doses for {sup 239}Pu in many cases. (author)
Fox, Jane L.; Johnson, Austin S.; Ard, Shaun G.; Shuman, Nicholas S.; Viggiano, Albert A.
2017-08-01
We investigate the production and loss rates of O2+ in the photochemical equilibrium region of the Martian ionosphere near the subsolar point. We adopt neutral and ion densities measured by the Mars Atmosphere and Volatiles EvolutioN (MAVEN) Neutral Gas and Ion Mass Spectrometer (NGIMS), electron densities and temperatures measured by the Langmuir Probe and Waves, and ion temperatures measured by the Supra-Thermal and Thermal Ion Composition instruments on the MAVEN spacecraft. Contrary to the conventional wisdom, we find that loss of O2+ by dissociative recombination is balanced mainly by production due to the reaction of O+ with CO2, with a smaller contribution due to the reaction of CO2+ with O. We find that the O densities derived from this calculation are larger than those measured by the NGIMS instrument by a factor that averages about 4 over the range of 130-155 km. This general conclusion is supported by a newly measured rate coefficient for the reaction of O with CO2+, which is smaller by a factor of about 6 than the only value in the literature, which was measured 47 years ago.
Shaw, A; Takács, I; Pagilla, K R; Murthy, S
2013-10-15
The Monod equation is often used to describe biological treatment processes and is the foundation for many activated sludge models. The Monod equation includes a "half-saturation coefficient" to describe the effect of substrate limitations on the process rate and it is customary to consider this parameter to be a constant for a given system. The purpose of this study was to develop a methodology, and its use to show that the half-saturation coefficient for denitrification is not constant but is in fact a function of the maximum denitrification rate. A 4-step procedure is developed to investigate the dependency of half-saturation coefficients on the maximum rate and two different models are used to describe this dependency: (a) an empirical linear model and (b) a deterministic model based on Fick's law of diffusion. Both models are proved better for describing denitrification kinetics than assuming a fixed K(NO3) at low nitrate concentrations. The empirical model is more utilitarian whereas the model based on Fick's law has a fundamental basis that enables the intrinsic K(NO3) to be estimated. In this study data was analyzed from 56 denitrification rate tests and it was found that the extant K(NO3) varied between 0.07 mgN/L and 1.47 mgN/L (5th and 95th percentile respectively) with an average of 0.47 mgN/L. In contrast to this, the intrinsic K(NO3) estimated for the diffusion model was 0.01 mgN/L which indicates that the extant K(NO3) is greatly influenced by, and mostly describes, diffusion limitations. Copyright © 2013 Elsevier Ltd. All rights reserved.
Fukuda, Makoto; Yoshimura, Kengo; Namekawa, Koki; Sakai, Kiyotaka
2017-06-01
The objective of the present study is to evaluate the effect of filtration coefficient and internal filtration on dialysis fluid flow and mass transfer coefficient in dialyzers using dimensionless mass transfer correlation equations. Aqueous solution of vitamin B12 clearances were obtained for REXEED-15L as a low flux dialyzer, and APS-15EA and APS-15UA as high flux dialyzers. All the other design specifications were identical for these dialyzers except for filtration coefficient. The overall mass transfer coefficient was calculated, moreover, the exponents of Reynolds number (Re) and film mass transfer coefficient of the dialysis-side fluid (k D) for each flow rate were derived from the Wilson plot and dimensionless correlation equation. The exponents of Re were 0.4 for the low flux dialyzer whereas 0.5 for the high flux dialyzers. Dialysis fluid of the low flux dialyzer was close to laminar flow because of its low filtration coefficient. On the other hand, dialysis fluid of the high flux dialyzers was assumed to be orthogonal flow. Higher filtration coefficient was associated with higher k D influenced by mass transfer rate through diffusion and internal filtration. Higher filtration coefficient of dialyzers and internal filtration affect orthogonal flow of dialysis fluid.
Directory of Open Access Journals (Sweden)
M.A. Chowdhury
2013-12-01
Full Text Available In the present study, friction coefficient and wear rate of gear fiber reinforced plastic (gear fiber and glass fiber reinforced plastic (glass fiber sliding against mild steel are investigated experimentally. In order to do so, a pin on disc apparatus is designed and fabricated. Experiments are carried out when smooth or rough mild steel pin slides on gear fiber and glass fiber disc. Experiments are conducted at normal load 10, 15 and 20 N, sliding velocity 1, 1.5 and 2 m/s and relative humidity 70%. Variations of friction coefficient with the duration of rubbing at different normal loads and sliding velocities are investigated. Results show that friction coefficient is influenced by duration of rubbing, normal load and sliding velocity. In general, friction coefficient increases for a certain duration of rubbing and after that it remains constant for the rest of the experimental time. The obtained results reveal that friction coefficient decreases with the increase in normal load for gear fiber and glass fiber mating with smooth or rough mild steel counterface. On the other hand, it is also found that friction coefficient increases with the increase in sliding velocity for both of the tested materials. Moreover, wear rate increases with the increase in normal load and sliding velocity. The magnitudes of friction coefficient and wear rate are different depending on sliding velocity and normal load for both smooth and rough counterface pin materials.
McGillen, Max; McMahon, Laura; Curchod, Basile; Shallcross, Dudley; Orr-Ewing, Andrew
2017-04-01
The reactions of Criegee biradicals have received much attention in recent years, yet few reactive systems have undergone direct experimental measurement, and fewer still have been measured as a function of temperature. In this study, absolute temperature-dependent rate coefficients for the gas-phase reactions of a suite of alcohols and sulphides with both formaldehyde oxide (CH2OO) and acetone oxide ((CH3)2COO) are determined experimentally between 254 and 328 K using cavity ringdown spectroscopy for detecting Criegee biradicals. Major differences in reactivity and temperature dependence are observed both in terms of the functionality (between alcohols and sulphides) and also the degree of alkyl substitution about the Criegee biradical. This diverse behaviour represents a uniquely challenging problem for atmospheric chemistry since the atmosphere contains a large variety of both functionalized compounds and Criegee biradicals, leading to a formidable parameter space which may be impossible to cover experimentally. Notwithstanding, new experimental data such as these are vital for understanding the general behaviour of Criegee biradicals in the atmosphere.
Lenzen, Matthias; Merklein, Marion
2017-10-01
In the automotive sector, a major challenge is the deep-drawing of modern lightweight sheet metals with limited formability. Thus, conventional material models lack in accuracy due to the complex material behavior. A current field of research takes into account the evolution of the Lankford coefficient. Today, changes in anisotropy under increasing degree of deformation are not considered. Only a consolidated average value of the Lankford coefficient is included in conventional material models. This leads to an increasing error in prediction of the flow behavior and therefore to an inaccurate prognosis of the forming behavior. To increase the accuracy of the prediction quality, the strain dependent Lankford coefficient should be respected, because the R-value has a direct effect on the contour of the associated flow rule. Further, the investigated materials show a more or less extinct rate dependency of the yield stress. For this reason, the rate dependency of the Lankford coefficient during uniaxial tension is focused within this contribution. To quantify the influence of strain rate on the Lankford coefficient, tensile tests are performed for three commonly used materials, the aluminum alloy AA6016-T4, the advanced high strength steel DP800 and the deep drawing steel DC06 at three different strain rates. The strain measurement is carried out by an optical strain measurement system. An evolution of the Lankford coefficient was observed for all investigated materials. Also, an influence of the deformation velocity on the anisotropy could be detected.
Lingaswamy, A. P.; Arafath, S. Md; Balakrishnaiah, G.; Rama Gopal, K.; Siva Kumar Reddy, N.; Raja Obul Reddy, K.; Reddy, R. R.; Chakradhar Rao, T.
2017-06-01
Continuous ground-based measurements of CO, SO2 and NO2 were carried out in a semi-arid rural area, Anantapur [14.62 0N, 77.65 0E], Southern India, for the period January 2012-December 2012. The maximum CO concentration was observed in winter (310 ± 17 ppbv) followed by summer (180 ± 21 ppbv) and post monsoon (174 ± 20 ppbv), while the minimum in monsoon (72 ± 9 ppbv). Seasonal mean NO2/NOx ratios for monsoon, post monsoon, winter and summer were about 0.88, 0.91, 0.76 and 0.80 respectively, indicating a higher conversion of NO to NO2 over the measurement site. Monthly mean low SO2 mixing ratio was found (0.46 ± 0.02 ppbv) in monsoon and high (2.42 ± 0.21 ppbv) in winter. Keeping the emissions aside, the levels of CO, SO2 and NO2 were influenced by meteorology, urban effects and trans-boundary transport in the lower troposphere. Atmospheric boundary layer (ABL) had the good correlation coefficient (R = 0.76) with solar radiation during daytime, while it was mainly correlated with wind speed during night time (R = 0.42). Diurnal trend of atmospheric visibility was found to be maximum during noon times at around (14:00-16:00 h) about 76 k.m. and minimum during morning periods (06:00-08:00 h) about 45 k.m. A strong positive correlation was observed between BC and CO (R = 0.71) with an average slope, suggesting common or proximate sources likely to be traffic emissions contribution for the production of BC and CO. The SO2/NOx and CO/NOx study were strongly suggested that mobile sources were larger contributors over the site and the evidence of transport of emissions from other surrounding regions. Tropospheric Ultraviolet Visible (TUV) radiative transfer model was used to calculate the Photolysis rate coefficients (J(O3), J(NO2)). Chemical box model (NCAR-MM) was used to simulate diurnal variation of CO and the results were reported.
Lin, Feifei; Li, Zhiyong; Gan, Yungen; Sun, Longwei; Fang, Diangang; Xiang, Kui; Liu, Lei
2014-10-01
The aim was to investigate the relationship between apparent diffusion coefficient (ADC) values measured by diffusion-weighted magnetic resonance imaging (DW MRI) and the split glomerular filtration rate (GFR) in infants with congenital hydronephrosis. Diffusion-weighted imaging (DWI) (b = 0 and 700 seconds/mm(2)) was performed with a General Electric Company (GE) Signa 1.5T MR unit in 46 infants suffering single congenital hydronephrosis and in 30 healthy infants as normal control group. The ADCs were calculated with regions of interest (ROIs) positioned in the renal parenchyma. The 46 obstructed kidneys were classified into four groups according to the GFR level: renal dysfunction compensated group, renal dysfunction decompensated group, renal failure group, and uremia group. The renal ADCs in six groups (normal kidneys in control group, contralateral kidneys, and four groups of hydronephrotic kidneys) were compared statistically using analysis of variance (ANOVA), and the correlative relationship between ADCs and GFR was examined by Pearson's correlation test. There were statistically significant differences in renal ADCs among the six groups. The ADCs of hydronephrotic kidneys were lower than that of the normal kidneys. There was a moderate positive correlation between the ADCs of hydronephrotic kidneys and split GFR (r = 0.744). This study indicated that the ADCs of congenital hydronephrotic kidneys were lower than that of normal renal parenchyma, and there was a positive correlation between the ADCs and split renal GFR, which demonstrates that the ADCs can reflect the filtration function of hydronephrotic kidneys and may provide some reference to help clinical physician to explore a novel noninvasive approach to evaluate the single renal function.
EFFECTS OF TIN ON HARDNESS, WEAR RATE AND COEFFICIENT OF FRICTION OF CAST CU-NI-SN ALLOYS
Directory of Open Access Journals (Sweden)
S. ILANGOVAN
2013-02-01
Full Text Available An investigation was carried out to understand the effects of Sn on hardness, wear rate and the coefficient of friction of spinodal Cu-Ni-Sn alloys. Alloys of appropriate compositions were melted in a crucible furnace under argon atmosphere and cast into sand moulds. Solution heat treated and aged specimens were tested for hardness, wear rate and the coefficient of friction. It was found that the hardness increases when the Sn content increases from 4% to 8% in the solution heat treated conditions. The peak aging time is found to decrease with an increase in the Sn content. Further, the coefficient of friction is independent of hardness whereas the wear rate decreases linearly with hardness irrespective of Sn content.
Czech Academy of Sciences Publication Activity Database
Pozníková, Gabriela; Fischer, Milan; Pohanková, Eva; Trnka, Miroslav
2014-01-01
Roč. 62, č. 5 (2014), s. 1079-1086 ISSN 1211-8516 R&D Projects: GA MŠk LH12037; GA MŠk(CZ) EE2.3.20.0248 Institutional support: RVO:67179843 Keywords : evapotranspiration * dual crop coefficient model * Bowen ratio/energy balance method * transpiration * soil evaporation * spring barley Subject RIV: EH - Ecology, Behaviour
Barbosa, Thaís da Silva; Peirone, Silvina; Barrera, Javier A; Abrate, Juan P A; Lane, Silvia I; Arbilla, Graciela; Bauerfeldt, Glauco Favilla
2015-04-14
The kinetics of the cis-3-hexene + OH reaction were investigated by an experimental relative rate method and at the density functional theory level. The experimental set-up consisted of a 200 L Teflon bag, operated at atmospheric pressure and 298 K. OH radicals were produced by the photolysis of H2O2 at 254 nm. Relative rate coefficients were determined by comparing the decays of the cis-3-hexene and reference compounds (cyclohexene, 2-buten-1-ol and allyl ether). The mean second-order rate coefficient value found was (6.27 ± 0.66) × 10(-11) cm(3) molecule(-1) s(-1), the uncertainty being estimated by propagation of errors. Theoretical calculations for the addition reaction of OH to cis-3-hexene have also been performed, at the BHandHLYP/aug-cc-pVDZ level, in order to investigate the reaction mechanism, to clarify the experimental observations and to model the reaction kinetics. Different conformations of the reactants, pre-barrier complexes and saddle points were considered in our calculations. The individual rate coefficients, calculated for each conformer of the reactant, at 298 K, using a microcanonical variational transition state method, are 4.19 × 10(-11) and 1.23 × 10(-10) cm(3) molecule(-1) s(-1). The global rate coefficient was estimated from the Boltzmann distribution of the conformers to be 8.10 × 10(-11) cm(3) molecule(-1) s(-1), which is in agreement with the experimental value. Rate coefficients calculated over the temperature range from 200-500 K are also given. Our results suggest that the complex mechanism, explicitly considering different conformations for the stationary points, must be taken into account for a proper description of the reaction kinetics.
Gas-phase rate coefficients of the reaction of ozone with four sesquiterpenes at 295 ± 2 K.
Richters, Stefanie; Herrmann, Hartmut; Berndt, Torsten
2015-05-07
The rate coefficients of the reaction of ozone with the four atmospherically relevant sesquiterpenes β-caryophyllene, α-humulene, α-cedrene and isolongifolene were investigated at 295 ± 2 K and atmospheric pressure by at least two independent experimental investigations for each reaction. Relative rate experiments were carried out in a flow tube using two different experimental approaches with GC-MS detection (RR 1) and PTR-MS analysis (RR 2) as the analytical techniques. Absolute rate coefficients were determined in a stopped-flow experiment following the ozone depletion by means of UV spectroscopy. The average rate coefficients from the combined investigations representing the mean values of the different experimental methods are (unit: cm(3) molecule(-1) s(-1)): k(O3+β-caryophyllene) = (1.1 ± 0.3) × 10(-14) (methods: RR 1, RR 2, absolute), k(O3+α-humulene) = (1.2 ± 0.3) × 10(-14) (RR 1, RR 2), k(O3+α-cedrene) = (1.7 ± 0.5) × 10(-16) (RR 2, absolute) and k(O3+isolongifolene) = (1.1 ± 0.5) × 10(-17) (RR 2, absolute). The high ozonolysis rate coefficients for β-caryophyllene and α-humulene agree well with the results by Shu and Atkinson (Int. J. Chem. Kinet., 1994, 26) and lead to short atmospheric lifetimes of about two minutes with respect to the ozone reaction. The relatively small rate coefficients for α-cedrene and isolongifolene differ from the available literature values by a factor of about 2.5-6. Possible reasons for the deviations are discussed. Finally, calibrated sesquiterpene FT-IR spectra were recorded for the first time.
Hösl, A.; Häfliger, P.; Franck, C. M.
2017-12-01
We obtain pressure-dependent rate coefficients in dry synthetic air (79% N2 , 21% O2 ) by fitting Pulsed Townsend measurements over a pressure range from 10 to 100 kPa, around the critical density-reduced electric field from 86 to 104 Td. The physical processes are reviewed and set in relation to a suitable kinetic model. A procedure for fitting kinetic reaction rates, based on finite-volume simulations of charge carrier drift, is described. Rate coefficients are obtained for electron attachment, ionization and detachment, as well as for ion conversion. We find a quadratic pressure dependency in the conversion rate, consistent with three-body collisions, and observe a pressure dependency in the onset of electron avalanche growth in dry air.
LABORATORY STUDY OF RATE COEFFICIENTS FOR H{sub 2}O:He INELASTIC COLLISIONS BETWEEN 20 AND 120 K
Energy Technology Data Exchange (ETDEWEB)
Tejeda, G.; Moreno, E.; Fernández, J. M.; Montero, S. [Laboratory of Molecular Fluid Dynamics, Instituto de Estructura de la Materia, CSIC Serrano 121, E-28006 Madrid (Spain); Carmona-Novillo, E.; Hernández, M. I., E-mail: emsalvador@iem.cfmac.csic.es [Instituto de Física Fundamental, CSIC Serrano 123, E-28006 Madrid (Spain)
2015-01-01
State-to-state rate coefficients for ortho-H{sub 2}O:He and para-H{sub 2}O:He inelastic collisions in the 20-120 K thermal range are investigated by means of an improved experimental procedure. This procedure is based on the use of a kinetic master equation (MEQ) which describes the evolution of populations of H{sub 2}O rotational levels along a supersonic jet of H{sub 2}O highly diluted in helium. The MEQ is expressed in terms of experimental observables and rate coefficients for H{sub 2}O:He inelastic collisions. The primary experimental observables are the local number density and the populations of the rotational energy levels of H{sub 2}O, quantities which are determined along the jet with unprecedented accuracy by means of Raman spectroscopy with high space resolution. Sets of rate coefficients from the literature and from present close-coupling calculations using two different potential energy surfaces (PESs) have been tested against the experiment. The Green et al. rate coefficients are up to 50% too low compared to the experiment, while most rates calculated here from the Hodges et al. PES and the Patkowski et al. PES are much closer to the experimental values. Experimental rates with an estimated accuracy on the order of 10% have been obtained for ortho-H{sub 2}O:He and para-H{sub 2}O:He inelastic collisions between 20 and 120 K by scaling and averaging the theoretical rates to the experiment.
Effect of the off-diagonal Onsager rate coefficient on the relaxation times in a spin-1 Ising system
Keskin, Mustafa; Erdem, Rıza
2002-05-01
As a continuation of our previously published works, we used the lowest approximation of the cluster variation method that is identical to the mean-field approximation and linearized equations of motions which are obtained by the Onsager reciprocity theorem to study the effect of the off-diagonal Onsager rate coefficient ( γ) on the relaxation times τ1 and τ2 near the critical point of the spin-1 Ising system. The temperature variations of the relaxation times have been studied for different values of the kinetic coefficient ( γ) which couples the dipolar and quadrupolar order currents in the system. Below and above the critical temperature ( TC), a maximum of τ2 is observed according to the values of off-diagonal coefficient ( γ).
Directory of Open Access Journals (Sweden)
S. Senhadji
2016-03-01
Full Text Available The present study is conducted in order to compare the frictional and wear behaviour under mixed lubrication of two pins: bronze (CuSn9P and brass (CuZn39Pb2, sliding on a steel disc (XC42. The selection of this type of brass and bronze was made because they are not large differences in microhardness, however, have a completely different microstructure. All tests were carried out by using a pin-on-disc tribometer, with a plane contact mode and a pure sliding velocity. The results indicate that friction coefficient and the wear coefficient of brass are significantly higher in comparison to bronze for the two studied roughness (Ra = 2 and 0.15 μm. We also note that for the brass the friction is slightly affected by the roughness of the discs, and the running time is reduced. Regarding bronze, the friction passes from 0.17 for the rough disc (Ra = 2 μm to 0.02 for the smooth disc (Ra = 0.15 μm with a time of running about 2000 s; the low value of friction corresponds to the transition to a hydrodynamic regime. The analysis of the microstructure of brass shows a high shear of the surface layers, with a severe plastic deformation, which is not the case for the bronze that is not affected by observable deformations.
Directory of Open Access Journals (Sweden)
N R Rema
2017-08-01
Full Text Available In this paper, a multiwavelet based fingerprint compression technique using set partitioning in hierarchical trees (SPIHT algorithm with optimised prefilter coefficients is proposed. While wavelet based progressive compression techniques give a blurred image at lower bit rates due to lack of high frequency information, multiwavelets can be used efficiently to represent high frequency information. SA4 (Symmetric Antisymmetric multiwavelet when combined with SPIHT reduces the number of nodes during initialization to 1/4th compared to SPIHT with wavelet. This reduction in nodes leads to improvement in PSNR at lower bit rates. The PSNR can be further improved by optimizing the prefilter coefficients. In this work genetic algorithm (GA is used for optimizing prefilter coefficients. Using the proposed technique, there is a considerable improvement in PSNR at lower bit rates, compared to existing techniques in literature. An overall average improvement of 4.23dB and 2.52dB for bit rates in between 0.01 to 1 has been achieved for the images in the databases FVC 2000 DB1 and FVC 2002 DB3 respectively. The quality of the reconstructed image is better even at higher compression ratios like 80:1 and 100:1. The level of decomposition required for a multiwavelet is lesser compared to a wavelet.
Cometto, Pablo M; Dalmasso, Pablo R; Taccone, Raúl A; Lane, Silvia I; Oussar, Fátima; Daële, Véronique; Mellouki, Abdelwahid; Le Bras, Georges
2008-05-15
Rate coefficients for the gas-phase reactions of OH radicals with four unsaturated alcohols, 3-methyl-3-buten-1-ol (k1), 2-buten-1-ol (k2), 2-methyl-2-propen-1-ol (k3) and 3-buten-1-ol (k4), were measured using two different techniques, a conventional relative rate method and the pulsed laser photolysis-laser induced fluorescence technique. The Arrhenius rate coefficients (in units of cm(3) molecule(-1) s(-1)) over the temperature range 263-371 K were determined from the kinetic data obtained as k1 = (5.5 +/- 1.0) x 10(-12) exp [(836 +/- 54)/T]; k2 = (6.9 +/- 0.9) x 10(-12) exp [(744 +/- 40)/T]; k3 = (10 +/- 1) x 10(-12) exp [(652 +/- 27)/T]; and k4 = (4.0 +/- 0.4) x 10(-12) exp [(783 +/- 32)/T]. At 298 K, the rate coefficients obtained by the two methods for each of the alcohols studied were in good agreement. The results are presented and compared with those obtained previously for the same and related reactions of OH radicals. Reactivity factors for substituent groups containing the hydroxyl group are determined. The atmospheric implications for the studied alcohols are considered briefly.
Yao, Kangning; Chi, Yong; Wang, Fei; Yan, Jianhua; Ni, Mingjiang; Cen, Kefa
2016-01-01
A commonly used aeration device at present has the disadvantages of low mass transfer rate because the generated bubbles are several millimeters in diameter which are much bigger than microbubbles. Therefore, the effect of a microbubble on gas-liquid mass transfer and wastewater treatment process was investigated. To evaluate the effect of each bubble type, the volumetric mass transfer coefficients for microbubbles and conventional bubbles were determined. The volumetric mass transfer coefficient was 0.02905 s(-1) and 0.02191 s(-1) at a gas flow rate of 0.67 L min(-1) in tap water for microbubbles and conventional bubbles, respectively. The degradation rate of simulated municipal wastewater was also investigated, using aerobic activated sludge and ozone. Compared with the conventional bubble generator, the chemical oxygen demand (COD) removal rate was 2.04, 5.9, 3.26 times higher than those of the conventional bubble contactor at the same initial COD concentration of COD 200 mg L(-1), 400 mg L(-1), and 600 mg L(-1), while aerobic activated sludge was used. For the ozonation process, the rate of COD removal using microbubble generator was 2.38, 2.51, 2.89 times of those of the conventional bubble generator. Based on the results, the effect of initial COD concentration on the specific COD degradation rate were discussed in different systems. Thus, the results revealed that microbubbles could enhance mass transfer in wastewater treatment and be an effective method to improve the degradation of wastewater.
Chang, T.; Torr, D. G.; Richards, P. G.; Solomon, S. C.
1993-01-01
O(+)(2P) is an important species for studies of the ionosphere and thermosphere: its emission at 7320 A can be used as a diagnostic of the thermospheric atomic oxygen density. Unfortunately, there are no laboratory measurements of the O and N2 reaction rates which are needed to determine the major sinks of (O+)(2p). We have recalculated the O and N2 reaction rates for O(+) (2P) using recent improvements in the solar EUV flux, cross sections, and photoelectron fluxes. For the standard solar EUV flux, the new N2 reaction rate of 3.4 +/- 1.5 x 10 exp -10 cu cm/s is close to the value obtained by Rusch et al. (1977), but the new O reaction rate of 4.0 +/- 1.9 x 10 exp -10 cu cm/sec is about 8 times larger. These new reaction rates are derived using neutral densities, electron density, and solar EUV fluxes measured by Atmosphere Explorer C in 1974 during solar minimum. The new theoretical emission rates are in good agreement with the data for the two orbits studied by Rusch et al.
Measurements of Drag Coefficients and Rotation Rates of Free-Falling Helixes
Al-Omari, Abdulrhaman A.
2016-05-01
The motion of bacteria in the environment is relevant to several fields. At very small scales and with simple helical shapes, we are able to describe experimentally and mathematically the motion of solid spirals falling freely within a liquid pool. Using these shapes we intend to mimic the motion of bacteria called Spirochetes. We seek to experimentally investigate the linear and the rotational motion of such shapes. A better understanding of the dynamics of this process will be practical not only on engineering and physics, but the bioscience and environmental as well. In the following pages, we explore the role of the shape on the motion of passive solid helixes in different liquids. We fabricate three solid helical shapes and drop them under gravity in water, glycerol and a mixture of 30% glycerol in water. That generated rotation due to helical angle in water. However, we observe the rotation disappear in glycerol. The movement of the solid helical shapes is imaged using a high-speed video camera. Then, the images are analyzed using the supplied software and a computer. Using these simultaneous measurements, we examine the terminal velocity of solid helical shapes. Using this information we computed the drag coefficient and the drag force. We obtain the helical angular velocity and the torque applied to the solid. The results of this study will allow us to more accurately predict the motion of solid helical shape. This analysis will also shed light onto biological questions of bacteria movement.
A Review of Rate Coefficients in the H2-F2 Chemical Laser System
1976-04-15
JO, II dHlotonl Horn o’«po>i; II. SUPPLEMENTARY NOTES IV KEY WORDS (Contlnuo on fvorio au# // n»(»mry and td »r>’tty jy block...predicted relaxation rates for HCl, HBr , and HI that substantially agree with experimental data above 700 K. Applying the same theory to HF-HF and DF...contributions indicr* td by varying n is a refined perturbation on the total disappearance rate; therefore, »hc values for k1/w . ... are subject
Laporta, V; Tennyson, J; Celiberto, R; 10.1088/0963-0252/21/4/045005
2012-01-01
Resonant vibrational and rotation-vibration excitation cross sections for electron-CO scattering are calculated in the 0-10 eV energy range for all 81 vibrational states of CO, assuming that the excitation occur via the 2{\\Pi} shape resonance. Static exchange plus polarization calculations performed using the R-matrix method are used to estimate resonance positions and widths as functions of internuclear separation. The effects of nuclear motion are considered using a local complex potential model. Good agreement is obtained with available experimental data on excitation from the vibrational ground state. Excitation rates and cross sections are provided as a functions of the initial CO vibrational state for all ground state vibrational levels.
Chowdhury, M A; D. M. Nuruzzaman; B. K. Roy; Samad, S; Sarker, R.; A.H.M. Rezwan
2013-01-01
In the present study, friction coefficient and wear rate of gear fiber reinforced plastic (gear fiber) and glass fiber reinforced plastic (glass fiber) sliding against mild steel are investigated experimentally. In order to do so, a pin on disc apparatus is designed and fabricated. Experiments are carried out when smooth or rough mild steel pin slides on gear fiber and glass fiber disc. Experiments are conducted at normal load 10, 15 and 20 N, sliding velocity 1, 1.5 and 2 m/s and relative h...
Alajmi, Mahdi; Shalwan, Abdullah
2015-07-08
The correlation between the mechanical properties of Fillers/Epoxy composites and their tribological behavior was investigated. Tensile, hardness, wear, and friction tests were conducted for Neat Epoxy (NE), Graphite/Epoxy composites (GE), and Data Palm Fiber/Epoxy with or without Graphite composites (GFE and FE). The correlation was made between the tensile strength, the modulus of elasticity, elongation at the break, and the hardness, as an individual or a combined factor, with the specific wear rate (SWR) and coefficient of friction (COF) of composites. In general, graphite as an additive to polymeric composite has had an eclectic effect on mechanical properties, whereas it has led to a positive effect on tribological properties, whilst date palm fibers (DPFs), as reinforcement for polymeric composite, promoted a mechanical performance with a slight improvement to the tribological performance. Statistically, this study reveals that there is no strong confirmation of any marked correlation between the mechanical and the specific wear rate of filler/Epoxy composites. There is, however, a remarkable correlation between the mechanical properties and the friction coefficient of filler/Epoxy composites.
Directory of Open Access Journals (Sweden)
Mahdi Alajmi
2015-07-01
Full Text Available The correlation between the mechanical properties of Fillers/Epoxy composites and their tribological behavior was investigated. Tensile, hardness, wear, and friction tests were conducted for Neat Epoxy (NE, Graphite/Epoxy composites (GE, and Data Palm Fiber/Epoxy with or without Graphite composites (GFE and FE. The correlation was made between the tensile strength, the modulus of elasticity, elongation at the break, and the hardness, as an individual or a combined factor, with the specific wear rate (SWR and coefficient of friction (COF of composites. In general, graphite as an additive to polymeric composite has had an eclectic effect on mechanical properties, whereas it has led to a positive effect on tribological properties, whilst date palm fibers (DPFs, as reinforcement for polymeric composite, promoted a mechanical performance with a slight improvement to the tribological performance. Statistically, this study reveals that there is no strong confirmation of any marked correlation between the mechanical and the specific wear rate of filler/Epoxy composites. There is, however, a remarkable correlation between the mechanical properties and the friction coefficient of filler/Epoxy composites.
Dateo, Christopher E.; Walch, Stephen P.
2002-01-01
As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.
Pekkala, Nina; Knott, K Emily; Kotiaho, Janne S; Nissinen, Kari; Puurtinen, Mikael
2014-01-01
Understanding the effects of inbreeding and genetic drift within populations and hybridization between genetically differentiated populations is important for many basic and applied questions in ecology and evolutionary biology. The magnitudes and even the directions of these effects can be influenced by various factors, especially by the current and historical population size (i.e. inbreeding rate). Using Drosophila littoralis as a model species, we studied the effect of inbreeding rate over a range of inbreeding levels on (i) mean fitness of a population (relative to that of an outbred control population), (ii) within-population inbreeding depression (reduction in fitness of offspring from inbred versus random mating within a population) and (iii) heterosis (increase in fitness of offspring from interpopulation versus within-population random mating). Inbreeding rate was manipulated by using three population sizes (2, 10 and 40), and fitness was measured as offspring survival and fecundity. Fast inbreeding (smaller effective population size) resulted in greater reduction in population mean fitness than slow inbreeding, when populations were compared over similar inbreeding coefficients. Correspondingly, populations with faster inbreeding expressed more heterosis upon interpopulation hybridization. Inbreeding depression within the populations did not have a clear relationship with either the rate or the level of inbreeding. PMID:25553071
Determination of the Rate Coefficients of the SO2 plus O plus M yields SO3 plus M Reaction
Hwang, S. M.; Cooke, J. A.; De Witt, K. J.; Rabinowitz, M. J.
2010-01-01
Rate coefficients of the title reaction R(sub 31) (SO2 +O+M yields SO3 +M) and R(sub 56) (SO2 + HO2 yields SO3 +OH), important in the conversion of S(IV) to S(VI),were obtained at T =970-1150 K and rho (sub ave) = 16.2 micro mol/cubic cm behind reflected shock waves by a perturbation method. Shock-heated H2/ O2/Ar mixtures were perturbed by adding small amounts of SO2 (1%, 2%, and 3%) and the OH temporal profiles were then measured using laser absorption spectroscopy. Reaction rate coefficients were elucidated by matching the characteristic reaction times acquired from the individual experimental absorption profiles via simultaneous optimization of k(sub 31) and k(sub 56) values in the reaction modeling (for satisfactory matches to the observed characteristic times, it was necessary to take into account R(sub 56)). In the experimental conditions of this study, R(sub 31) is in the low-pressure limit. The rate coefficient expressions fitted using the combined data of this study and the previous experimental results are k(sub 31,0)/[Ar] = 2.9 10(exp 35) T(exp ?6.0) exp(?4780 K/T ) + 6.1 10(exp 24) T(exp ?3.0) exp(?1980 K/T ) cm(sup 6) mol(exp ?2)/ s at T = 300-2500 K; k(sub 56) = 1.36 10(exp 11) exp(?3420 K/T ) cm(exp 3)/mol/s at T = 970-1150 K. Computer simulations of typical aircraft engine environments, using the reaction mechanism with the above k(sub 31,0) and k(sub 56) expressions, gave the maximum S(IV) to S(VI) conversion yield of ca. 3.5% and 2.5% for the constant density and constant pressure flow condition, respectively. Moreover, maximum conversions occur at rather higher temperatures (?1200 K) than that where the maximum k(sub 31,0) value is located (approximately 800 K). This is because the conversion yield is dependent upon not only the k(sup 31,0) and k(sup 56) values (production flux) but also the availability of H, O, and HO2 in the system (consumption flux).
Energy Technology Data Exchange (ETDEWEB)
Coppola, C. M.; Longo, S. [Dipartimento di Chimica, Universita degli Studi di Bari, Via Orabona 4, I-70126 Bari (Italy); D' Introno, R. [Dipartimento di Fisica, Universita degli Studi di Bari, Via Amendola 173, I-70126 Bari (Italy); Galli, D. [INAF-Osservatorio Astrofisico di Arcetri, Largo E. Fermi 5, I-50125 Firenze (Italy); Tennyson, J., E-mail: carla.coppola@chimica.uniba.it [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)
2012-03-01
Energy exchange processes play a crucial role in the early universe, affecting the thermal balance and the dynamical evolution of the primordial gas. In the present work we focus on the consequences of a non-thermal distribution of the level populations of H{sub 2}: first, we determine the excitation temperatures of vibrational transitions and the non-equilibrium heat transfer; second, we compare the modifications to chemical reaction rate coefficients with respect to the values obtained assuming local thermodynamic equilibrium; and third, we compute the spectral distortions to the cosmic background radiation generated by the formation of H{sub 2} in vibrationally excited levels. We conclude that non-equilibrium processes cannot be ignored in cosmological simulations of the evolution of baryons, although their observational signatures remain below current limits of detection. New fits to the equilibrium and non-equilibrium heat transfer functions are provided.
Garland, N. A.; Boyle, G. J.; Cocks, D. G.; White, R. D.
2018-02-01
This study reviews the neutral density dependence of electron transport in gases and liquids and develops a method to determine the nonlinear medium density dependence of electron transport coefficients and scattering rates required for modeling transport in the vicinity of gas–liquid interfaces. The method has its foundations in Blanc’s law for gas-mixtures and adapts the theory of Garland et al (2017 Plasma Sources Sci. Technol. 26) to extract electron transport data across the gas–liquid transition region using known data from the gas and liquid phases only. The method is systematically benchmarked against multi-term Boltzmann equation solutions for Percus–Yevick model liquids. Application to atomic liquids highlights the utility and accuracy of the derived method.
Ballesteros, Bernabé; Ceacero-Vega, Antonio A; Jiménez, Elena; Albaladejo, José
2015-04-01
As the result of biogenic and anthropogenic activities, large quantities of chemical compounds are emitted into the troposphere. Alkanes, in general, and cycloalkanes are an important chemical class of hydrocarbons found in diesel, jet and gasoline, vehicle exhaust emissions, and ambient air in urban areas. In general, the primary atmospheric fate of organic compounds in the gas phase is the reaction with hydroxyl radicals (OH). The oxidation by Cl atoms has gained importance in the study of atmospheric reactions because they may exert some influence in the boundary layer, particularly in marine and coastal environments, and in the Arctic troposphere. The aim of this paper is to study of the atmospheric reactivity of methylcylohexanes with Cl atoms and OH radicals under atmospheric conditions (in air at room temperature and pressure). Relative kinetic techniques have been used to determine the rate coefficients for the reaction of Cl atoms and OH radicals with methylcyclohexane, cis-1,4-dimethylcyclohexane, trans-1,4-dimethylcyclohexane, and 1,3,5-trimethylcyclohexane at 298 ± 2 K and 720 ± 5 Torr of air by Fourier transform infrared) spectroscopy and gas chromatography-mass spectrometry (GC-MS) in two atmospheric simulation chambers. The products formed in the reaction under atmospheric conditions were investigated using a 200-L Teflon bag and employing the technique of solid-phase microextraction coupled to a GC-MS. The rate coefficients obtained for the reaction of Cl atoms with the studied compounds are the following ones (in units of 10(-10) cm(3) molecule(-1) s(-1)): (3.11 ± 0.16), (2.89 ± 0.16), (2.89 ± 0.26), and (2.61 ± 0.42), respectively. For the reactions with OH radicals the determined rate coefficients are (in units of 10(-11) cm(3) molecule(-1) s(-1)): (1.18 ± 0.12), (1.49 ± 0.16), (1.41 ± 0.15), and (1.77 ± 0.23), respectively. The reported error is twice the standard deviation. A detailed
Díaz-de-Mera, Yolanda; Aranda, Alfonso; Bravo, Iván; Rodríguez, Diana; Rodríguez, Ana; Moreno, Elena
2008-10-01
The adverse environmental impacts of chlorinated hydrocarbons on the Earth's ozone layer have focused attention on the effort to replace these compounds by nonchlorinated substitutes with environmental acceptability. Hydrofluoroethers (HFEs) and fluorinated alcohols are currently being introduced in many applications for this purpose. Nevertheless, the presence of a great number of C-F bonds drives to atmospheric long-lived compounds with infrared absorption features. Thus, it is necessary to improve our knowledge about lifetimes and global warming potentials (GWP) for these compounds in order to get a complete evaluation of their environmental impact. Tropospheric degradation is expected to be initiated mainly by OH reactions in the gas phase. Nevertheless, Cl atoms reaction may also be important since rate constants are generally larger than those of OH. In the present work, we report the results obtained in the study of the reactions of Cl radicals with HFE-7000 (CF(3)CF(2)CF(2)OCH(3)) (1) and its isomer CF(3)CF(2)CF(2)CH(2)OH (2). Kinetic rate coefficients with Cl atoms have been measured using the discharge flow tube-mass spectrometric technique at 1 Torr of total pressure. The reactions of these chlorofluorocarbons (CFCs) substitutes have been studied under pseudo-first-order kinetic conditions in excess of the fluorinated compounds over Cl atoms. The temperature ranges were 266-333 and 298-353 K for reactions of HFE-7000 and CF(3)CF(2)CF(2)CH(2)OH, respectively. The measured room temperature rate constants were k(Cl+CF(3)CF(2)CF(2)OCH(3)) = (1.24 +/- 0.28) x 10(-13) cm(3) molecule(-1) s(-1)and k(Cl+CF(3)CF(2)CF(2)CH(2)OH) = (8.35 +/- 1.63) x 10(-13) cm(3) molecule(-1) s(-1) (errors are 2sigma + 10% to cover systematic errors). The Arrhenius expression for reaction 1 was k (1)(266-333 K) = (6.1 +/- 3.8) x 10(-13)exp[-(445 +/- 186)/T] cm(3) molecule(-1) s(-1) and k (2)(298-353 K) = (1.9 +/- 0.7) x 10(-12)exp[-(244 +/- 125)/T] cm(3) molecule(-1) s(-1) (errors
Directory of Open Access Journals (Sweden)
Konstantinos Katsonis
2013-01-01
Full Text Available We developed a Global Model for N2O plasmas valid for applications in various power, gas flow rate, and pressure regimes. Besides energy losses from electron collisions with N2O, it takes into consideration those due to molecular N2 and O2 and to atomic N and O species. Positive atomic N+ and O+ and molecular N2O+, N2+, and O2+ have been treated as separate species and also negative O− ions. The latter confer an electronegative character to the discharge, calling for modified plasma sheath and plasma potential formulas. Electron density and temperature and all species densities have been evaluated, hence the ionization and dissociation percentages of N2O, N2, and O2 molecules and the plasma electronegativity. The model is extended to deal with N2/O2 mixtures feedings, notably with air. Rate coefficients and model results are discussed and compared with those from available theoretical and experimental work on ICP and glow discharge devices.
Rate coefficients for the reactions of OH and OD with HCl and DCl between 200 and 400 K
Energy Technology Data Exchange (ETDEWEB)
Battin-Leclerc, F. [CNRS, Nancy (France). Dept. de Chimie-Physique des Reactions; Talukdar, R.K. [National Oceanic and Atmospheric Administration, Boulder, CO (United States). Aeronomy Lab.]|[Univ. of Colorado, Boulder, CO (United States). Cooperative Inst. for Research in Environmental Sciences; Kim, I.K.; Portmann, R.W.; Ravishankara, A.R. [National Oceanic and Atmospheric Administration, Boulder, CO (United States). Aeronomy Lab.]|[Univ. of Colorado, Boulder, CO (United States). Dept. of Chemistry and Biochemistry
1999-04-29
HCl is a principal reservoir of inorganic chlorine in the stratosphere. Rate coefficients for the reaction of OH radical with HCl ({kappa}{sub 1}) between 200 and 400 K, were measured to be 3.28 {times} 10{sup {minus}17} T{sup 1.66} exp [184/T]cm{sup 3} molecule{sup {minus}1} s{sup {minus}1} by producing OH via pulsed laser photolysis and detecting it via laser induced fluorescence. The rate coefficients for the reactions of OH and DCl ({kappa}{sub 2}), OD with HCl ({kappa}{sub 3}), and OD with DCl ({kappa}{sub 4}) were also measured using the same method to be {kappa}{sub 2} = 2.9 {times} 10{sup {minus}12} exp [{minus}728/T], {kappa}{sub 3} = 8.1 {times} 10{sup {minus}18} T{sup 1.85} exp [300/T], and {kappa}{sub 4} = 2.5 {times} 10{sup {minus}12} exp [{minus}660/T] cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. {kappa}{sub 1}--{kappa}{sub 4} were computed for 200 < T < 400 K using the variational transition theory, including tunneling corrections, to be {kappa}{sub 1} = 1.49 {times} 10{sup {minus}16} T{sup 1.35} exp [262/T], {kappa}{sub 2} = 9.04 {times} 10{sup {minus}20} T{sup 2.34} exp[429/T], {kappa}{sub 3} = 1.01 {times} 10{sup {minus}16} T{sup 1.4} exp[309/T], and {kappa}{sub 4} = 1.64 {times} 10{sup {minus}19} T{sup 2.27} exp [385/T]cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}, in reasonable agreement with experiments. They were also used to analyze the origin of the isotope effects. A two-dimensional chemical transport model calculation shows that the measured higher values of {kappa}{sub 1} at low temperatures do not significantly alter the calculated ozone abundance, or its trend, in the stratosphere.
Cometto, Pablo M; Daële, Véronique; Idir, Mahmoud; Lane, Silvia I; Mellouki, Abdelwahid
2009-10-08
Kinetics of the reactions of OH radicals and Cl atoms with four saturated esters have been investigated. Rate coefficients for the gas-phase reactions of OH radicals with ethyl propanoate (k(1)), n-propyl propanoate (k(2)), methyl 2-methylpropanoate (k(3)), and ethyl n-butanoate (k(4)) were measured using a conventional relative rate method and the pulsed laser photolysis-laser induced fluorescence technique. At (296 +/- 2) K, the rate coefficients obtained by the two methods were in good agreement. Significant curvatures in the Arrhenius plots have been observed in the temperature range 243-372 K for k(1), k(3), and k(4). The rate coefficients for the reactions of the four esters with Cl atoms were determined using the relative rate method at (296 +/- 2) K and atmospheric pressure. The values obtained are presented, compared with the literature values when they exist, and discussed. Reactivity trends and atmospheric implications for these esters are also presented.
Feofilov, A. G.; Kutepov, A. A.; She, C. Y.; Smith, A. K.; Pesnell, W. D.; Goldberg, R. A.
2009-01-01
Among the processes governing the energy balance in the mesosphere and lower thermosphere (MLT), the quenching of CO2(V2) vibrational levels in collisions with oxygen atoms plays an important role. However, neither the rate coefficient of this process (k(CO2O)) nor the atomic oxygen concentrations ([O]) in the MLT are well known. The discrepancy between k(CO2O) measured in the lab and retrieved from atmospheric measurements is of about factor of 2.5. At the same time, the discrepancy between [O] in the MLT measured by different instruments is of the same order of magnitude. In this work we used a synergy of a ground based lidar and satellite infrared radiometer to make a further step in understanding of the physics of the region. In this study we apply the night- and daytime temperatures between 80 and 110 km measured by the Colorado State University narrow-band sodium (Na) lidar located at Fort Collins, Colorado for retrieving the product of k(CO2-O) x [O] from the limb radiances in the 15 micron channel measured by the SABER/TIMED instrument for nearly simultaneous common volume measurements of both instruments within +/-1 degree in latitude, +/-2 degrees in longitude and +/-10 minutes in time. We derive k(CO2-O) and its possible variation range from the retrieved product by utilizing the [O] values measured by the SABER and other instruments.
Directory of Open Access Journals (Sweden)
Mohammad Delnavaz
2017-06-01
Conclusion: Evaluation of Y, kd, k0 and Ks parameters in operation of Ekbatan wastewater treatment plant showed that ASM1 model could well determine the coefficients and therefore the conditions of biological treatment is appropriate.
Li, Jun; Guo, Hua
2018-02-26
Thermal rate coefficients for the title reaction and its various isotopologues are computed using a tunneling-corrected transition-state theory on a global potential energy surface recently developed by fitting a large number of high-level ab initio points. The calculated rate coefficients are found to agree well with the measured ones in a wide temperature range, validating the accuracy of the potential energy surface. Strong non-Arrhenius effects are found at low temperatures. In addition, the calculations reproduced the primary and secondary kinetic isotope effects. These results confirm the strong influence of tunneling to this heavy-light-heavy hydrogen abstraction reaction.
Liu, Zhijian; Liu, Kejun; Li, Hao; Zhang, Xinyu; Jin, Guangya; Cheng, Kewei
2015-01-01
Measurements of heat collection rate and heat loss coefficient are crucial for the evaluation of in service water-in-glass evacuated tube solar water heaters. However, conventional measurement requires expensive detection devices and undergoes a series of complicated procedures. To simplify the measurement and reduce the cost, software based on artificial neural networks for measuring heat collection rate and heat loss coefficient of water-in-glass evacuated tube solar water heaters was developed. Using multilayer feed-forward neural networks with back-propagation algorithm, we developed and tested our program on the basis of 915 measured samples of water-in-glass evacuated tube solar water heaters. This artificial neural networks-based software program automatically obtained accurate heat collection rate and heat loss coefficient using simply "portable test instruments" acquired parameters, including tube length, number of tubes, tube center distance, heat water mass in tank, collector area, angle between tubes and ground and final temperature. Our results show that this software (on both personal computer and Android platforms) is efficient and convenient to predict the heat collection rate and heat loss coefficient due to it slow root mean square errors in prediction. The software now can be downloaded from http://t.cn/RLPKF08.
Werfelli, Ghofran; Halvick, Philippe; Honvault, Pascal; Kerkeni, Boutheïna; Stoecklin, Thierry
2015-09-21
The observed abundances of the methylidyne cation, CH(+), in diffuse molecular clouds can be two orders of magnitude higher than the prediction of the standard gas-phase models which, in turn, predict rather well the abundances of neutral CH. It is therefore necessary to investigate all the possible formation and destruction processes of CH(+) in the interstellar medium with the most abundant species H, H2, and e(-). In this work, we address the destruction process of CH(+) by hydrogen abstraction. We report a new calculation of the low temperature rate coefficients for the abstraction reaction, using accurate time-independent quantum scattering and a new high-level ab initio global potential energy surface including a realistic model of the long-range interaction between the reactants H and CH(+). The calculated thermal rate coefficient is in good agreement with the experimental data in the range 50 K-800 K. However, at lower temperatures, the experimental rate coefficient takes exceedingly small values which are not reproduced by the calculated rate coefficient. Instead, the latter rate coefficient is close to the one given by the Langevin capture model, as expected for a reaction involving an ion and a neutral species. Several recent theoretical works have reported a seemingly good agreement with the experiment below 50 K, but an analysis of these works show that they are based on potential energy surfaces with incorrect long-range behavior. The experimental results were explained by a loss of reactivity of the lowest rotational states of the reactant; however, the quantum scattering calculations show the opposite, namely, a reactivity enhancement with rotational excitation.
Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M
2017-09-07
A theoretical study, involving the calculation of reaction enthalpies, activation energies, mechanisms, and rate coefficients, was made of the reaction of hydroxyl radicals with methyl nitrate, an important process for methyl nitrate removal in the earth's atmosphere. Four reaction channels were considered: formation of H 2 O + CH 2 ONO 2 , CH 3 OOH + NO 2 , CH 3 OH + NO 3 , and CH 3 O + HNO 3 . For all channels, geometry optimization and frequency calculations were performed at the M06-2X/6-31+G** level, while relative energies were improved at the UCCSD(T*)-F12/CBS level. The major channel is found to be the H abstraction channel, to give the products H 2 O + CH 2 ONO 2 . The reaction enthalpy (ΔH 298 K RX ) of this channel is computed as -17.90 kcal mol -1 . Although the other reaction channels are also exothermic, their reaction barriers are high (>24 kcal mol -1 ), and therefore these reactions do not contribute to the overall rate coefficient in the temperature range considered (200-400 K). Pathways via three transition states were identified for the H abstraction channel. Rate coefficients were calculated for these pathways at various levels of variational transition state theory including tunneling. The results obtained are used to distinguish between two sets of experimental rate coefficients, measured in the temperature range of 200-400 K, one of which is approximately an order of magnitude greater than the other. This comparison, as well as the temperature dependence of the computed rate coefficients, shows that the lower experimental values are favored. The implications of the results to atmospheric chemistry are discussed.
Dean, D. C.; Goldstein, J. I.
1984-01-01
The interdiffusion coefficient of FeNi in fcc taenite (gamma) of Fe-Ni and Fe-Ni-0.2 P alloys was measured as a function of temperature between 600 and 900 C. This temperature range is directly applicable to the nucleation and growth of the Widmanstatten pattern in iron meteorites and metal regions of stony and stony-iron meteorites. Diffusion couples were made from FeNi or FeNiP alloys which ensured that the couples were in the taenite phase at the diffusion temperature. The presence or absence of grain boundary diffusion was determined by measuring the Ni profile normal to the existing grain boundaries with the AEM. Ignoring any variation of interdiffusion coefficient with composition, the measured data was plotted versus the reciprocal of the diffusion temperature. The FeNi data generally follow the extrapolated Goldstein, et al. (1965) data from high temperatures. The FeNiP data indicates that small additions of P (0.2 wt%) cause a 3 to 10 fold increase in the FeNi interdifussion coefficient increasing with decreasing temperature. This increase is about the same as that predicted by Narayan and Goldstein (1983) at the Widmanstatten growth temperature.
Liu, Zhijian; Li, Hao; Tang, Xindong; Zhang, Xinyu; Lin, Fan; Cheng, Kewei
2016-01-01
Heat collection rate and heat loss coefficient are crucial indicators for the evaluation of in service water-in-glass evacuated tube solar water heaters. However, the direct determination requires complex detection devices and a series of standard experiments, wasting too much time and manpower. To address this problem, we previously used artificial neural networks and support vector machine to develop precise knowledge-based models for predicting the heat collection rates and heat loss coefficients of water-in-glass evacuated tube solar water heaters, setting the properties measured by "portable test instruments" as the independent variables. A robust software for determination was also developed. However, in previous results, the prediction accuracy of heat loss coefficients can still be improved compared to those of heat collection rates. Also, in practical applications, even a small reduction in root mean square errors (RMSEs) can sometimes significantly improve the evaluation and business processes. As a further study, in this short report, we show that using a novel and fast machine learning algorithm-extreme learning machine can generate better predicted results for heat loss coefficient, which reduces the average RMSEs to 0.67 in testing.
Energy Technology Data Exchange (ETDEWEB)
Gulpinar, Gul, E-mail: gul.gulpinar@deu.edu.t [Dokuz Eylul University, Department of Physics, 35160 Buca, Izmir (Turkey); Karaaslan, Yenal [Dokuz Eylul University, Department of Physics, 35160 Buca, Izmir (Turkey)
2011-02-07
The effect of the off-diagonal Onsager rate coefficient on the relaxation process of iron-group dihalides has been investigated within the framework of statistical equilibrium theory and the thermodynamics of irreversible processes. For this purpose linearized kinetic equations of the total and staggered magnetization is utilized to study the effect of the off-diagonal kinetic coefficient {gamma} on the temperature dependence of the relaxation times near the first order, critical and multicritical points of the spin-1/2 metamagnetic Ising model. In accordance with the previous results in the literature, we have observed a non-critical maxima of one the relaxation times below the critical temperature according to the values of off-diagonal coefficient.
Gulpinar, Gul; Karaaslan, Yenal
2011-02-01
The effect of the off-diagonal Onsager rate coefficient on the relaxation process of iron-group dihalides has been investigated within the framework of statistical equilibrium theory and the thermodynamics of irreversible processes. For this purpose linearized kinetic equations of the total and staggered magnetization is utilized to study the effect of the off-diagonal kinetic coefficient γ on the temperature dependence of the relaxation times near the first order, critical and multicritical points of the spin-1/2 > metamagnetic Ising model. In accordance with the previous results in the literature, we have observed a non-critical maxima of one the relaxation times below the critical temperature according to the values of off-diagonal coefficient.
Srinivasulu, G; Bunkan, A J C; Amedro, D; Crowley, J N
2018-01-31
The rate coefficient (k 1 ) for the reaction of OH radicals with perfluoro ethyl vinyl ether (PEVE, C 2 F 5 OCF[double bond, length as m-dash]CF 2 ) has been measured as a function of temperature (T = 207-300 K) using the technique of pulsed laser photolysis with detection of OH by laser-induced fluorescence (PLP-LIF) at pressures of 50 or 100 Torr N 2 bath gas. In addition, the rate coefficient was measured at 298 K and in one atmosphere of air by the relative-rate technique with loss of PEVE and reference reactant monitored in situ by IR absorption spectroscopy. The rate coefficient has a negative temperature dependence which can be parameterized as: k 1 (T) = 6.0 × 10 -13 exp[(480 ± 38/T)] cm 3 molecule -1 s -1 and a room temperature value of k 1 (298 K) = (3.0 ± 0.3) × 10 -12 cm 3 molecule -1 s -1 . Highly accurate rate coefficients from the PLP-LIF experiments were achieved by optical on-line measurements of PEVE and by performing the measurements at two different apparatuses. The large rate coefficient and the temperature dependence indicate that the reaction proceeds via OH addition to the C[double bond, length as m-dash]C double bond, the high pressure limit already being reached at 50 Torr N 2 . Based on the rate coefficient and average OH levels, the atmospheric lifetime of PEVE was estimated to be a few days.
Energy Technology Data Exchange (ETDEWEB)
Mihajlov, A A [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Ignjatovic, Lj M [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Djuric, Z [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom); Ljepojevic, N N [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom)
2004-11-28
This paper presents the results of semi-classical calculations of rate coefficients of (n - n')-mixing processes in collisions of Rydberg atoms H*(n) with H(1s) atoms. These processes have been modelled by the mechanism of the resonant energy exchange within the electron component of the H*(n) + H collisional system. The calculations of the rate coefficients, based on this model, were performed for the series of principal quantum numbers, n and n', and atomic, T{sub a}, and electronic, T{sub e}, temperatures. It was shown that these processes can be of significant influence on the populations of Rydberg atoms in weakly ionized plasmas (ionization degree {approx}<10{sup -4}), and therefore have to be included in appropriate models of such plasmas.
Directory of Open Access Journals (Sweden)
M. R. McGillen
2007-07-01
Full Text Available The reactivity of aromatic compounds is of great relevance to pure and applied chemical disciplines, yet existing methods for estimating gas-phase rate coefficients for their reactions with free radicals lack accuracy and universality. Here a novel approach is taken, whereby strong relationships between rate coefficients of aromatic hydrocarbons and a Randić-type topological index are investigated, optimized and developed into a method which requires no specialist software or computing power.
Measured gas-phase rate coefficients for the reaction of aromatic hydrocarbons with OH radicals were correlated with a calculated Randić-type index, and optimized by including a term for side chain length. Although this method is exclusively for use with hydrocarbons, it is more diverse than any single existing methodology since it incorporates alkenylbenzenes into correlations, and can be extended towards other radical species such as O(^{3}P (and tentatively NO_{3}, H and Cl. A comparison (with species common to both techniques is made between the topological approach advocated here and a popular approach based on electrophilic subsituent constants, where it compares favourably.
A modelling study was carried out to assess the impact of using estimated rate coefficients as opposed to measured data in an atmospheric model. The difference in model output was negligible for a range of NO_{x} concentrations, which implies that this method has utility in complex chemical models.
Strong relationships (e.g. for OH, R^{2}=0.96 between seemingly diverse compounds including benzene, multisubstituted benzenes with saturated, unsaturated, aliphatic and cyclic substitutions and the nonbenzenoid aromatic, azulene suggests that the Randić-type index presented here represents a new and effective way of describing aromatic reactivity, based on a quantitative structure-activity relationship (QSAR.
Pekkala, Nina; Knott, K. Emily; Janne S Kotiaho; Nissinen, Kari; Puurtinen, Mikael
2014-01-01
Understanding the effects of inbreeding and genetic drift within populations and hybridization between genetically differentiated populations is important for many basic and applied questions in ecology and evolutionary biology. The magnitudes and even the directions of these effects can be influenced by various factors, especially by the current and historical population size (i.e. inbreeding rate). Using Drosophila littoralis as a model species, we studied the effect of inbreeding rate over...
Banks, M.; Bridges, N. T.; Benzit, M.
2005-01-01
Knowledge of the rates at which rocks abrade from the impact of saltating sand provides important input into estimating the age and degree of modification of arid surfaces on Earth and Mars. Previous work has relied on measuring mass loss rates in the field and the laboratory. The susceptibility of rocks and other natural materials has been quantified on a relative scale from laboratory studies.
Lee, Chung Sik; Cha, Ran-hui; Lim, Youn-Hee; Kim, Ho; Song, Ka Heon; Gu, Namyi; Yu, Kyung Sang; Lim, Chun Soo; Han, Jin Suk; Kim, Suhnggwon; Kim, Yon Su
2010-11-01
Race and ethnicity are influential in estimating glomerular filtration rate (GFR). We aimed to find the Korean coefficients for the Modification of Diet in Renal Disease (MDRD) study equations and to obtain novel proper estimation equations. Reference GFR was measured by systemic inulin clearance. Serum creatinine (SCr) values were measured by the alkaline picrate Jaffé kinetic method, then, recalibrated to CX3 analyzer and to isotope dilution mass spectrometry (IDMS). The Korean coefficients for the 4 and 6 variable MDRD and IDMS MDRD study equations based on the SCr recalibrated to CX3 and to IDMS were 0.73989/0.74254 and 0.99096/0.9554, respectively. Coefficients for the 4 and 6 variable MDRD equations based on the SCr measured by Jaffé method were 1.09825 and 1.04334, respectively. The modified equations showed better performances than the original equations. The novel 4 variable equations for Korean based on the SCr measured and recalibrated to IDMS were 107.904×SCr(-1.009)×age(-0.02) (×0.667, if woman) and 87.832×SCr(-0.882)×age(0.01) (×0.653, if woman), respectively. Modified estimations of the MDRD and IDMS MDRD study equations with ethnic coefficients and the novel equations improve the performance of GFR estimation for the overall renal function.
Santos, M V; Sansinena, M; Zaritzky, N; Chirife, J
2012-01-01
In oocyte vitrification, plunging directly into liquid nitrogen favor film boiling and strong nitrogen vaporization. A survey of literature values of heat transfer coefficients (h) for film boiling of small metal objects with different geometries plunged in liquid nitrogen revealed values between 125 to 1000 W per per square m per K. These h values were used in a numerical simulation of cooling rates of two oocyte vitrification devices (open-pulled straw and Cryotop), plunged in liquid and slush nitrogen conditions. Heat conduction equation with convective boundary condition was considered a linear mathematical problem and was solved using the finite element method applying the variational formulation. COMSOL Multiphysics was used to simulate the cooling process of the systems. Predicted cooling rates for OPS and Cryotop when cooled at -196 degree C (liquid nitrogen) or -207 degree C (average for slush nitrogen) for heat transfer coefficients estimated to be representative of film boiling, indicated lowering the cooling temperature produces only a maximum 10 percent increase in cooling rates; confirming the main benefit of plunging in slush over liquid nitrogen does not arise from their temperature difference. Numerical simulations also demonstrated that a hypothetical four-fold increase in the cooling rate of vitrification devices when plunging in slush nitrogen would be explained by an increase in heat transfer coefficient. This improvement in heat transfer (i.e., high cooling rates) in slush nitrogen is attributed to less or null film boiling when a sample is placed in slush (mixture of liquid and solid nitrogen) because it first melts the solid nitrogen before causing the liquid to boil and form a film.
Mass transfer between aquifer material and groundwater is often modeled as first-order rate-limited sorption or diffusive exchange between mobile zones and immobile zones with idealized geometries. Recent improvements in experimental techniques and advances in our understanding o...
Rate Coefficient for the (4)Heμ + CH4 Reaction at 500 K: Comparison between Theory and Experiment.
Arseneau, Donald J; Fleming, Donald G; Li, Yongle; Li, Jun; Suleimanov, Yury V; Guo, Hua
2016-03-03
The rate constant for the H atom abstraction reaction from methane by the muonic helium atom, Heμ + CH4 → HeμH + CH3, is reported at 500 K and compared with theory, providing an important test of both the potential energy surface (PES) and reaction rate theory for the prototypical polyatomic CH5 reaction system. The theory used to characterize this reaction includes both variational transition-state (CVT/μOMT) theory (VTST) and ring polymer molecular dynamics (RPMD) calculations on a recently developed PES, which are compared as well with earlier calculations on different PESs for the H, D, and Mu + CH4 reactions, the latter, in particular, providing for a variation in atomic mass by a factor of 36. Though rigorous quantum calculations have been carried out for the H + CH4 reaction, these have not yet been extended to the isotopologues of this reaction (in contrast to H3), so it is important to provide tests of less rigorous theories in comparison with kinetic isotope effects measured by experiment. In this regard, the agreement between the VTST and RPMD calculations and experiment for the rate constant of the Heμ + CH4 reaction at 500 K is excellent, within 10% in both cases, which overlaps with experimental error.
Litniewski, Marek; Gorecki, Jerzy
2011-06-28
We have performed intensive computer simulations of the irreversible annihilation reaction: A + A → C + C and of the trapping reaction: A + B → C + B for a variety of three-dimensional fluids composed of identical spherical particles. We have found a significant difference in the asymptotic behavior of the rate coefficients for these reactions. Both the rate coefficients converge to the same value with time t going to infinity but the convergence rate is different: the O(t(-1/2)) term for the annihilation reaction is higher than the corresponding term for the trapping reaction. The simulation results suggest that ratio of the terms is a universal quantity with the value equal to 2 or slightly above. A model for the annihilation reaction based on the superposition approximation predicts the difference in the O(t(-1/2)) terms, but overestimates the value for the annihilation reaction by about 30%. We have also performed simulations for the dimerization process: A + A → E, where E stands for a dimer. The dimerization decreases the reaction rate due to the decrease in the diffusion constant for A. The effect is successfully predicted by a simple model.
Jubb, A. M.; Gierczak, T.; Baasandorj, M.; Waterland, R. L.; Burkholder, J. B.
2013-12-01
Mixtures of methyl-perfluoroheptene-ethers (C7F13OCH3, MPHEs) are currently in use as a replacement for perfluorinated alkane (PFC) and polyether mixtures (both persistent greenhouse gases with atmospheric lifetimes >1000 years) used as heat transfer fluids. Currently, the atmospheric fate of the MPHE isomers are not well characterized, however, reaction with the OH radical is expected to be a dominant tropospheric loss process for these compounds. In order to assess the atmospheric lifetimes and environmental implications of MPHE use, rate coefficients for MPHE isomers' reaction with OH radicals are desired. In the work presented here, rate coefficients, k, for the gas-phase reaction of the OH radical with six MPHEs commonly used in commercial mixtures (isomers and stereoisomers) and their deuterated analogs (d3-MPHE) were determined at 296 K using a relative rate method with combined gas-chromatography/IR spectroscopy detection. A range of OH rate coefficient values was observed, up to a factor of 20× different, between the MPHE isomers with the (E)-stereoisomers exhibiting the greatest reactivity. The measured OH reaction rate coefficients for the d3-MPHE isomers were lower than the observed MPHE values although a large range of k values between isomers was still observed. The reduction in reactivity with deuteration signifies that the MPHE + OH reaction proceeds via both addition to the olefinic C=C bond and H-abstraction from the methyl ester group. OH addition to the C=C bond was determined to be the primary reaction channel. Atmospheric lifetimes with respect to the OH reaction for the six MPHE isomers were found to be in the range of days to months. The short lifetimes indicate that MPHE use will primarily impact tropospheric local and regional air quality. A MPHE atmospheric degradation mechanism will be presented. As part of this work, radiative efficiencies and global warming potentials (GWPs) for the MPHE isomers were estimated based on measured
Directory of Open Access Journals (Sweden)
K. Dulitz
2018-02-01
Full Text Available Rate coefficients (k5 for the title reaction were obtained using pulsed laser photolytic generation of OH coupled to its detection by laser-induced fluorescence (PLP–LIF. More than 80 determinations of k5 were carried out in nitrogen or air bath gas at various temperatures and pressures. The accuracy of the rate coefficients obtained was enhanced by in situ measurement of the concentrations of both HNO3 reactant and NO2 impurity. The rate coefficients show both temperature and pressure dependence with a rapid increase in k5 at low temperatures. The pressure dependence was weak at room temperature but increased significantly at low temperatures. The entire data set was combined with selected literature values of k5 and parameterised using a combination of pressure-dependent and -independent terms to give an expression that covers the relevant pressure and temperature range for the atmosphere. A global model, using the new parameterisation for k5 rather than those presently accepted, indicated small but significant latitude- and altitude-dependent changes in the HNO3 ∕ NOx ratio of between −6 and +6 %. Effective HNO3 absorption cross sections (184.95 and 213.86 nm, units of cm2 molecule−1 were obtained as part of this work: σ213.86 = 4.52−0.12+0.23 × 10−19 and σ184.95 = 1.61−0.04+0.08 × 10−17.
Berkemeier, Thomas; Ammann, Markus; Krieger, Ulrich K.; Peter, Thomas; Spichtinger, Peter; Pöschl, Ulrich; Shiraiwa, Manabu; Huisman, Andrew J.
2017-06-01
We present a Monte Carlo genetic algorithm (MCGA) for efficient, automated, and unbiased global optimization of model input parameters by simultaneous fitting to multiple experimental data sets. The algorithm was developed to address the inverse modelling problems associated with fitting large sets of model input parameters encountered in state-of-the-art kinetic models for heterogeneous and multiphase atmospheric chemistry. The MCGA approach utilizes a sequence of optimization methods to find and characterize the solution of an optimization problem. It addresses an issue inherent to complex models whose extensive input parameter sets may not be uniquely determined from limited input data. Such ambiguity in the derived parameter values can be reliably detected using this new set of tools, allowing users to design experiments that should be particularly useful for constraining model parameters. We show that the MCGA has been used successfully to constrain parameters such as chemical reaction rate coefficients, diffusion coefficients, and Henry's law solubility coefficients in kinetic models of gas uptake and chemical transformation of aerosol particles as well as multiphase chemistry at the atmosphere-biosphere interface. While this study focuses on the processes outlined above, the MCGA approach should be portable to any numerical process model with similar computational expense and extent of the fitting parameter space.
Endres, Eric S; Lakhmanskaya, Olga; Hauser, Daniel; Huber, Stefan E; Best, Thorsten; Kumar, Sunil S; Probst, Michael; Wester, Roland
2014-08-21
In the interstellar medium (ISM) ion–molecule reactions play a key role in forming complex molecules. Since 2006, after the radioastronomical discovery of the first of by now six interstellar anions, interest has grown in understanding the formation and destruction pathways of negative ions in the ISM. Experiments have focused on reactions and photodetachment of the identified negatively charged ions. Hints were found that the reactions of CnH(–) with H2 may proceed with a low (rate [Eichelberger, B.; et al. Astrophys. J. 2007, 667, 1283]. Because of the high abundance of molecular hydrogen in the ISM, a precise knowledge of the reaction rate is needed for a better understanding of the low-temperature chemistry in the ISM. A suitable tool to analyze rare reactions is the 22-pole radiofrequency ion trap. Here, we report on reaction rates for Cn(–) and CnH(–) (n = 2, 4, 6) with buffer gas temperatures of H2 at 12 and 300 K. Our experiments show the absence of these reactions with an upper limit to the rate coefficients between 4 × 10(–16) and 5 × 10(–15) cm(3) s(–1), except for the case of C2(–), which does react with a finite rate with H2 at low temperatures. For the cases of C2H(–) and C4H(–), the experimental results were confirmed with quantum chemical calculations. In addition, the possible influence of a residual reactivity on the abundance of C4H(–) and C6H(–) in the ISM were estimated on the basis of a gas-phase chemical model based on the KIDA database. We found that the simulated ion abundances are already unaffected if reaction rate coefficients with H2 were below 10(–14) cm(3) s(–1).
Altitude Variation of the CO2 (V2)-O Quenching Rate Coefficient in Mesosphere and Lower Thermosphere
Feofilovi, Artem; Kutepov, Alexander; She, Chiao-Yao; Smith, Anne K.; Pesnell, William Dean; Goldberg, Richard A.
2010-01-01
Among the processes governing the energy balance in the mesosphere and lower thermosphere (mlt), the quenching of CO2(N2) vibrational levels by collisions with oxygen atoms plays an important role. However, the k(CO2-O) values measured in the lab and retrieved from atmospheric measurements vary from 1.5 x 10(exp -12) cubic centimeters per second through 9.0 x 10(exp -12) cubic centimeters per second that requires further studying. In this work we used synergistic data from a ground based lidar and a satellite infrared radiometer to estimate K(CO2-O). We used the night- and daytime temperatures between 80 and 110 km measured by the colorado state university narrow-band sodium (Na) lidar located at fort collins, colorado (41N, 255E) as ground truth of the saber/timed nearly simultaneous (plus or minus 10 minutes) and common volume (within plus or minus 1 degree in latitude, plus or minus 2 degrees in longitude) observations. For each altitude in 80-110 km interval we estimate an "optimal" value of K(CO2-O) needed to minimize the discrepancy between the simulated 15 mm CO2 radiance and that measured by the saber/timed instrument. The K(CO2-O) obtained in this way varies in altitude from 3.5 x 10(exp -12) cubic centimeters per second at 80 km to 5.2 x 10(exp -12) cubic centimeters pers second for altitudes above 95 km. We discuss this variation of the rate constant and its impact on temperature retrievals from 15 mm radiance measurements and on the energy budget of mlt.
Kurnosov, Alexander; Cacciatore, Mario; Laganà, Antonio; Pirani, Fernando; Bartolomei, Massimiliano; Garcia, Ernesto
2014-04-05
The rate coefficients for N2-N2 collision-induced vibrational energy exchange (important for the enhancement of several modern innovative technologies) have been computed over a wide range of temperature. Potential energy surfaces based on different formulations of the intramolecular and intermolecular components of the interaction have been used to compute quasiclassically and semiclassically some vibrational to vibrational energy transfer rate coefficients. Related outcomes have been rationalized in terms of state-to-state probabilities and cross sections for quasi-resonant transitions and deexcitations from the first excited vibrational level (for which experimental information are available). On this ground, it has been possible to spot critical differences on the vibrational energy exchange mechanisms supported by the different surfaces (mainly by their intermolecular components) in the low collision energy regime, though still effective for temperatures as high as 10,000 K. It was found, in particular, that the most recently proposed intermolecular potential becomes the most effective in promoting vibrational energy exchange near threshold temperatures and has a behavior opposite to the previously proposed one when varying the coupling of vibration with the other degrees of freedom. Copyright © 2014 Wiley Periodicals, Inc.
Feofilov, A. G.; Kutepov, A. A.; She, C.-Y.; Smith, A. K.; Pesnell, W. D.; Goldberg, R. A.
2012-01-01
Among the processes governing the energy balance in the mesosphere and lower thermosphere (MLT), the quenching of CO2(nu2) vibrational levels by collisions with O atoms plays an important role. However, there is a factor of 3-4 discrepancy between the laboratory measurements of the CO2-O quenching rate coefficient, k(sub VT),and its value estimated from the atmospheric observations. In this study, we retrieve k(sub VT) in the altitude region85-105 km from the coincident SABER/TIMED and Fort Collins sodium lidar observations by minimizing the difference between measured and simulated broadband limb 15 micron radiation. The averaged k(sub VT) value obtained in this work is 6.5 +/- 1.5 X 10(exp -12) cubic cm/s that is close to other estimates of this coefficient from the atmospheric observations.However, the retrieved k(sub VT) also shows altitude dependence and varies from 5.5 1 +/-1 10(exp -12) cubic cm/s at 90 km to 7.9 +/- 1.2 10(exp -12) cubic cm/s at 105 km. Obtained results demonstrate the deficiency in current non-LTE modeling of the atmospheric 15 micron radiation, based on the application of the CO2-O quenching and excitation rates, which are linked by the detailed balance relation. We discuss the possible model improvements, among them accounting for the interaction of the non-thermal oxygen atoms with CO2 molecules.
Cooperation between bound waters and hydroxyls in controlling isotope-exchange rates
Panasci, Adele F.; McAlpin, J. Gregory; Ohlin, C. André; Christensen, Shauna; Fettinger, James C.; Britt, R. David; Rustad, James R.; Casey, William H.
2012-02-01
Mineral oxides differ from aqueous ions in that the bound water molecules are usually attached to different metal centers, or vicinal, and thus separated from one another. In contrast, for most monomeric ions used to establish kinetic reactivity trends, such as octahedral aquo ions (e.g., Al(H 2O) 63+), the bound waters are closely packed, or geminal. Because of this structural difference, the existing literature about ligand substitution in monomer ions may be a poor guide to the reactions of geochemical interest. To understand how coordination of the reactive functional groups might affect the rates of simple water-exchange reactions, we synthesized two structurally similar Rh(III) complexes, [Rh(phen) 2(H 2O) 2] 3+ [ 1] and [Rh(phen) 2(H 2O)Cl] 2+ [ 2] where (phen) = 1,10-phenanthroline. Complex [ 1] has two adjacent, geminal, bound waters in the inner-coordination sphere and [ 2] has a single bound water adjacent to a bound chloride ion. We employed Rh(III) as a trivalent metal rather than a more geochemically relevant metal like Fe(III) or Al(III) to slow the rate of reaction, which makes possible measurement of the rates of isotopic substitution by simple mass spectrometry. We prepared isotopically pure versions of the molecules, dissolved them into isotopically dissimilar water, and measured the rates of exchange from the extents of 18O and 16O exchange at the bound waters. The pH dependency of rates differ enormously between the two complexes. Pseudo-first-order rate coefficients at 298 K for water exchanges from the fully protonated molecules are close: k0298 = 5 × 10 -8(±0.5 × 10 -8) s -1 for [ 1] and k0298 = 2.5 × 10 -9(±1 × 10 -9) for [ 2]. Enthalpy and entropy activation parameters (Δ H‡ and Δ S‡) were measured to be 119(±3) kJ mol -1, and 14(±1) J mol -1 K -1, respectively for [ 1]. The corresponding parameters for the mono-aquo complex, [ 2], are 132(±3) kJ mol -1 and 41.5(±2) J mol -1 K -1. Rates increase by many orders of magnitude
Bisetti, Fabrizio
2014-01-02
The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO2 and N2 as well as impact dissociation of O2 being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 1010 cm-3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed. © 2014 Taylor & Francis.
Papadimitriou, Vassileios C; Spitieri, Christina S; Papagiannakopoulos, Panos; Cazaunau, Mathieu; Lendar, Maria; Daële, Véronique; Mellouki, Abdelwahid
2015-10-14
The rate coefficients for the gas phase reactions of OH radicals, k1, Cl atoms, k2, and O3, k3, with 3,3,3-trifluoro-2(trifluoromethyl)-1-propene ((CF3)2C=CH2, hexafluoroisobutylene, HFIB) were determined at room temperature and atmospheric pressure employing the relative rate method and using two atmospheric simulation chambers and a static photochemical reactor. OH and Cl rate coefficients obtained by both techniques were indistinguishable, within experimental precision, and the average values were k1 = (7.82 ± 0.55) × 10(-13) cm(3) molecule(-1) s(-1) and k2 = (3.45 ± 0.24) × 10(-11) cm(3) molecule(-1) s(-1), respectively. The quoted uncertainties are at 95% level of confidence and include the estimated systematic uncertainties. An upper limit for the O3 rate coefficient was determined to be k3 < 9.0 × 10(-22) cm(3) molecule(-1) s(-1). In global warming potential (GWP) calculations, radiative efficiency (RE) was determined from the measured IR absorption cross-sections and treating HFIB both as long (LLC) and short (SLC) lived compounds, including estimated lifetime dependent factors in the SLC case. The HFIB lifetime was estimated from kinetic measurements considering merely the OH reaction, τOH = 14.8 days and including both OH and Cl chemistry, τeff = 10.3 days. Therefore, GWP(HFIB,OH) and GWP(HFIB,eff) were estimated to be 4.1 (LLC) and 0.6 (SLC), as well as 2.8 (LLC) and 0.3 (SLC) for a hundred year time horizon. Moreover, the estimated photochemical ozone creation potential (ε(POCP)) of HFIB was calculated to be 4.60. Finally, HCHO and (CF3)2C(O) were identified as final oxidation products in both OH- and Cl-initiated oxidation, while HC(O)Cl was additionally observed in the Cl-initiated oxidation.
Evaluation of adsorption capacity of acetaminophen on activated ...
African Journals Online (AJOL)
pseudo first order kinetic model when compared with intra-particle diffusion model with R2 values of 0.991 in pH 6.5 for the acetaminophen adsorption via powdered activated charcoal, thus reflecting high correlation coefficients. This model suggests that physisorption is the rate controlling mechanism via which adsorption.
Burkholder, J. B.; Bernard, F.; Papadimitriou, V. C.
2016-12-01
The atmospheric chemistry of organosiloxanes has recently been implicated in the formation of new particles as well as regional and indoor air quality. Methylsiloxanes with Sicosmetics, textiles, health care and household products and in industrial applications as solvents and lubricants. They are released into the atmosphere during manufacturing, use, and disposal and have been observed in the atmosphere in ppb levels in certain locations. However, the fundamental chemical properties of this class of compounds, particularly their reactivity with the OH radical, are presently not fully characterized. In this work, the temperature dependence of the rate coefficients for the OH radical reaction with the simplest linear (L2 and L3) and cyclic (D3 and D4) siloxanes were measured: OH + (CH3)3SiOSi(CH3)3 = Products L2OH + [(CH3)3SiO]2Si(CH3)2 = Products L3OH + [-Si(CH3)2O-]3 = Products D3OH + [-Si(CH3)2O-]4 = Products D4OH rate coefficients were measured under pseudo-first conditions in OH over the temperature range 240-370 K using a pulsed laser photolysis-laser induced fluorescence (PLP-LIF) technique and at 296 K using a relative rate method. The present results are compared with available literature data where possible and discrepancies are discussed. The results from this work will be discussed in terms of the atmospheric lifetimes of these methylsiloxanes and the reactivity trends for this class of compound.
Cross sections and rate coefficients for excitation of {Delta}n=1 transitions in li-like ions with 6
Energy Technology Data Exchange (ETDEWEB)
Safronova, U.I. [AN SSSR, Troitsk (Russian Federation). Inst. Spektroskopii; Safronova, M.S.; Kato, T.
1995-09-01
Excitation cross sections and rate coefficients by electron impact were calculated for the 1s{sup 2}2s - 1s2s2p, 1s{sup 2}2s - 1s2s{sup 2} and 1s{sup 2}2s - 1s2p{sup 2} transitions of the Li-like ions (CIV, NV, OVI, NeVIII, MgX, AlXI, SiXII, SXIV, ArXVI, CaXVIII, TiXX, FeXXIV, NiXXVI, ZnXXVIII, GeXXX, SeXXXII, KrXXXIIV and MoXXXX) in the Coulomb-Born approximation with exchange including relativistic effects and configuration interaction. Level energies, mixing coefficients and transition wavelengths and probabilities were also computed. Calculations performed by the 1/Z perturbation theory and Coulomb-Born approximation are compared with the R- matrix method and the distorted-wave approximation were Z is the nuclear charge. Formulae obtained for the angular factors of n-electron atomic system allow one to generalize this method to an arbitrary system of highly charged ions. (author).
Zogka, Antonia G; Mellouki, Abdelwahid; Romanias, Manolis N; Bedjanian, Yuri; Idir, Mahmoud; Grosselin, Benoit; Daële, Véronique
2016-11-17
The rate coefficients for the reactions of OH and Cl with 1-methoxy 2-propyl acetate (MPA) in the gas phase were measured using absolute and relative methods. The kinetic study on the OH reaction was conducted in the temperature (263-373) K and pressure (1-760) Torr ranges using the pulsed laser photolysis-laser-induced fluorescence technique, a low pressure fast flow tube reactor-quadrupole mass spectrometer, and an atmospheric simulation chamber/GC-FID. The derived Arrhenius expression is k MPA+OH (T) = (2.01 ± 0.02) × 10 -12 exp[(588 ± 123/T)] cm 3 molecule -1 s -1 . The absolute and relative rate coefficients for the reaction of Cl with MPA were measured at room temperature in the flow reactor and the atmospheric simulation chamber, which led to k (Cl+MPA) = (1.98 ± 0.31) × 10 -10 cm 3 molecule -1 s -1 . GC-FID, GC-MS, and FT-IR techniques were used to investigate the reaction mechanism in the presence of NO. The products formed from the reaction of MPA with OH and their yields were methyl formate (80 ± 7.3%), acetic acid (50 ± 4.8%), and acetic anhydride (22 ± 2.4%), while for Cl reaction, the obtained yields were 60 ± 5.4, 41 ± 3.8, and 11 ± 1.2%, respectively, for the same products. The UV absorption cross section spectrum of MPA was determined in the wavelength range 210-370 nm. The study has shown no photolysis of MPA under atmospheric conditions. The obtained results are used to derive the atmospheric implication.
Dillon, Terry J.; Dulitz, Katrin; Groß, Christoph B. M.; Crowley, John N.
2017-12-01
Pulsed laser methods for OH generation and detection were used to study atmospheric degradation reactions for three important biogenic gases: OH + isoprene (Reaction R1), OH +α-pinene (Reaction R2) and OH + Δ-3-carene (Reaction R3). Gas-phase rate coefficients were characterized by non-Arrhenius kinetics for all three reactions. For (R1), k1 (241-356 K) = (1.93±0.08) × 10-11exp{(466±12)/T} cm3 molecule-1 s-1 was determined, with a room temperature value of k1 (297 K) = (9.3±0.4) × 10-11 cm3 molecule-1 s-1, independent of bath-gas pressure (5-200 Torr) and composition (M = N2 or air). Accuracy and precision were enhanced by online optical monitoring of isoprene, with absolute concentrations obtained via an absorption cross section, σisoprene = (1.28±0.06) × 10-17 cm2 molecule-1 at λ = 184.95 nm, determined in this work. These results indicate that significant discrepancies between previous absolute and relative-rate determinations of k1 result in part from σ values used to derive the isoprene concentration in high-precision absolute determinations.Similar methods were used to determine rate coefficients (in 10-11 cm3 molecule-1 s-1) for (R2)-(R3): k2 (238-357 K) = (1.83±0.04) × exp{(330±6)/T} and k3 (235-357 K) = (2.48±0.14) × exp{(357±17)/T}. This is the first temperature-dependent dataset for (R3) and enables the calculation of reliable atmospheric lifetimes with respect to OH removal for e.g. boreal forest springtime conditions. Room temperature values of k2 (296 K) = (5.4±0.2) × 10-11 cm3 molecule-1 s-1 and k3 (297 K) = (8.1±0.3) × 10-11 cm3 molecule-1 s-1 were independent of bath-gas pressure (7-200 Torr, N2 or air) and in good agreement with previously reported values. In the course of this work, 184.95 nm absorption cross sections were determined: σ = (1.54±0.08) × 10-17 cm2 molecule-1 for α-pinene and (2.40±0.12) × 10-17 cm2 molecule-1 for Δ-3-carene.
Papadimitriou, V.; Burkholder, J. B.
2015-12-01
Short-lived hydrofluoroolefins (HFOs) are proposed replacement compounds for ozone depleting substances (ODSs) and longer-lived greenhouse gases that are used in various industrial and technological applications. HFOs are not ODSs and the presence of the highly reactive unsaturated bond toward the common atmospheric oxidants (OH, Cl, NO3 and O3) is expected to lead to shorter tropospheric lifetimes relative to those of saturated hydrofluorocarbons. The shorter lifetime reduces their direct contribution to Climate Change. In this study, rate coefficients for the gas-phase reaction of the OH radical with (CF3)2CFCH=CHF (HFO-1438ezy), between 214 and 380 K and 50-450 Torr (He, N2), were measured using pulsed laser photolysis-laser induced fluorescence (PLP/LIF) and relative rate methods. No pressure dependence was observed within this measurement range. The reaction displays a non-Arrhenius temperature dependence over this temperature range with a slightly positive temperature dependence above 280 K and near temperature independence at lower temperatures. The infrared spectrum of HFO-1438ezy was measured as part of this work. On the basis of the present measurements, the atmospheric lifetime of HFO-1438ezy as well as its radiative efficiency, global warming potential and photochemical ozone creation potential were estimated.
Gaspar, A; Strodiot, L; Thonart, P
1998-01-01
To improve xylanase productivity from Penicillium canescens 10-10c culture, an optimization of oxygen supply is required. Because the strain is sensitive to shear forces, leading to lower xylanase productivity as to morphological alteration, vigorous mixing is not desired. The influence of turbine design, agitation speed, and air flow rate on K1a (global mass transfer coefficient, h(-1)) and enzyme production is discussed. K1a values increased with agitation speed and air flow rate, whatever the impeller, in our assay conditions. Agitation had more influence on K1a values than air flow, when a disk-mounted blade's impeller (DT) is used; an opposite result was obtained with a hub-mounted pitched blade's impeller (PBT). Xylanase production appeared as a function of specific power (W/m3), and an optimum was found in 20 and 100 L STRs fitted with DT impellers. On the other hand, the use of a hub-mounted pitched blade impeller (PBT8), instead of a disk-mounted blade impeller (DT4), reduced the lag time of hemicellulase production and increased xylanase productivity 1.3-fold.
Directory of Open Access Journals (Sweden)
Zhijian Liu
2015-08-01
Full Text Available The determinations of heat collection rate and heat loss coefficient are crucial for the evaluation of in service water-in-glass evacuated tube solar water heaters. However, the direct determination requires complex detection devices and a series of standard experiments, which also wastes too much time and manpower. To address this problem, we propose machine learning models including artificial neural networks (ANNs and support vector machines (SVM to predict the heat collection rate and heat loss coefficient without a direct determination. Parameters that can be easily obtained by “portable test instruments” were set as independent variables, including tube length, number of tubes, tube center distance, heat water mass in tank, collector area, final temperature and angle between tubes and ground, while the heat collection rate and heat loss coefficient determined by the detection device were set as dependent variables respectively. Nine hundred fifteen samples from in-service water-in-glass evacuated tube solar water heaters were used for training and testing the models. Results show that the multilayer feed-forward neural network (MLFN with 3 nodes is the best model for the prediction of heat collection rate and the general regression neural network (GRNN is the best model for the prediction of heat loss coefficient due to their low root mean square (RMS errors, short training times, and high prediction accuracies (under the tolerances of 30%, 20%, and 10%, respectively.
Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M
2013-03-15
The minimum energy path (MEP) of the reaction, CF(3)CHFCF(3) + H → transition state (TS) → CF(3)CFCF(3) + H(2), has been computed at different ab initio levels and with density functional theory (DFT) using different functionals. The computed B3LYP/6-31++G**, BH&HLYP/cc-pVDZ, BMK/6-31++G**, M05/6-31+G**, M05-2X/6-31+G**, UMP2/6-31++G**, PUMP2/6-31++G**//UMP2/6-31++G**, RCCSD(T)/aug-cc-pVDZ//UMP2/6-31++G**, RCCSD(T)/aug-cc-pVTZ(spd,sp)//UMP2//6-31++G**, RCCSD(T)/CBS//M05/6-31+G**, and RCCSD(T)/CBS//UMP2/6-31++G** MEPs, and associated gradients and Hessians, were used in reaction rate coefficient calculations based on the transition state theory (TST). Reaction rate coefficients were computed between 300 and 1500 K at various levels of TST, which include conventional TST, canonical variational TST (CVT) and improved CVT (ICVT), and with different tunneling corrections, namely, Wigner, zero-curvature, and small-curvature (SCT). The computed rate coefficients obtained at different ab initio, DFT and TST levels are compared with experimental values available in the 1000-1200 K temperature range. Based on the rate coefficients computed at the ICVT/SCT level, the highest TST level used in this study, the BH&HLYP functional performs best among all the functionals used, while the RCCSD(T)/CBS//MP2/6-31++G** level is the best among all the ab initio levels used. Comparing computed reaction rate coefficients obtained at different levels of theory shows that, the computed barrier height has the strongest effect on the computed reaction rate coefficients as expected. Variational effects on the computed rate coefficients are found to be negligibly small. Although tunneling effects are relatively small at high temperatures (~1500 K), SCT corrections are significant at low temperatures (~300 K), and both barrier heights and the magnitudes of the imaginary frequencies affect SCT corrections. Copyright © 2012 Wiley Periodicals, Inc.
Directory of Open Access Journals (Sweden)
Paweł Sędłak
2017-01-01
Full Text Available Laboratorial two-body wear testing was carried out in order to assess effects of polypropylene modification by impregnating it with oils on friction coefficient and wear in comparison to those parameters of unmodified polypropylene, Teflon, and polyamide during operation under conditions of sliding friction without lubrication. Wear behaviour of the tested specimens was investigated using ASTM G77-98 standard wear test equipment. Recording program made it possible to visualise and record the following parameters: rotational speed and load, linear wear, friction coefficient, temperature of the specimen, and ambient temperature. In addition, wear mechanisms of the analysed materials were determined with use of scanning electron microscopy. In the case of the remaining tested polymers, the most important mechanism of wear was adhesion (PP, PTFE, PA 6.6, and PA MoS2, microcutting (PTFE, PA 6.6, and PA MoS2, fatigue wear (PTFE, forming “roll-shaped particles” combined with plastic deformation (PA 6.6 and PA MoS2, and thermal wear (PP. Impregnation of polypropylene with engine oil, gear oil, or RME results in significant reduction of friction coefficient and thus of friction torque, in relation to not only unmodified polypropylene but also the examined polyamide and Teflon.
Energy Technology Data Exchange (ETDEWEB)
Ryu, Si Ok [School of Chemical Engineering, Yeungnam University, Gyeongsan (Korea, Republic of); Shin, Kuan Soo [Dept. of Chemistry, Soongsil University, Seoul (Korea, Republic of); Hwang, Soon Muk [Science Applications International Corp oration, 3000 Aerospace Park way, Brook Park, Ohio (United States)
2017-02-15
Rate coefficients of the title reactions, R1 (CH{sub 4} + O{sub 2} → HO{sub 2}+CH{sub 3}) and R{sub 2} (HCO+O{sub 2} → HO{sub 2} + CO) were obtained over T = 1610 ⁓ 1810 K and T = 200 ⁓ 1760 K, respectively, and at ρ = 7.1 μmol/cm{sup 3}. A lean CH{sub 4}/O{sub 2}/Ar mixture (0.1% CH{sub 4}, ϕ = 0.02) was heated behind reflected shock waves and the temporal OH absorption profiles were measured using a laser absorption spectroscopy. Reaction rate coefficients were elucidated by matching the experimental profiles via optimization of k1 and k2 values in the reaction simulation. The rate coefficient expressions derived are k{sub 1} = 1.46 × 10{sup 14} exp (−26 210 K/T) cm{sup 3}/mol/s, T = 1610 ⁓ 1810 K and k{sub 2} = 1.9 × 10{sup 12} T{sup 0.1{sup 6}} exp (−245 K/T) cm{sup 3}/mol/s, T = 200 ⁓ 1760 K.
Sall, Eri; And Others
1978-01-01
Describes an undergraduate biological chemistry laboratory experiment which provides students with an example of pseudo-first-order kinetics with the cardiac glycoside inhibition of mammalism sodium and potassium transport. (SL)
Guo, JunJiang; Xu, JiaQi; Li, ZeRong; Tan, NingXin; Li, XiangYuan
2015-04-02
The potential energy surface (PES) for reaction C2H4 + HO2 was examined by using the quantum chemical methods. All rates were determined computationally using the CBS-QB3 composite method combined with conventional transition state theory(TST), variational transition-state theory (VTST) and Rice-Ramsberger-Kassel-Marcus/master-equation (RRKM/ME) theory. The geometries optimization and the vibrational frequency analysis of reactants, transition states, and products were performed at the B3LYP/CBSB7 level. The composite CBS-QB3 method was applied for energy calculations. The major product channel of reaction C2H4 + HO2 is the formation C2H4O2H via an OH(···)π complex with 3.7 kcal/mol binding energy which exhibits negative-temperature dependence. We further investigated the reactions related to this complex, which were ignored in previous studies. Thermochemical properties of the species involved in the reactions were determined using the CBS-QB3 method, and enthalpies of formation of species were compared with literature values. The calculated rate constants are in good agreement with those available from literature and given in modified Arrhenius equation form, which are serviceable in combustion modeling of hydrocarbons. Finally, in order to illustrate the effect for low-temperature ignition of our new rate constants, we have implemented them into the existing mechanisms, which can predict ethylene ignition in a shock tube with better performance.
Badra, Jihad; Elwardany, Ahmed E; Farooq, Aamir
2014-06-28
Reaction rate constants of the reaction of four large ketones with hydroxyl (OH) are investigated behind reflected shock waves using OH laser absorption. The studied ketones are isomers of hexanone and include 2-hexanone, 3-hexanone, 3-methyl-2-pentanone, and 4-methl-2-pentanone. Rate constants are measured under pseudo-first-order kinetics at temperatures ranging from 866 K to 1375 K and pressures near 1.5 atm. The reported high-temperature rate constant measurements are the first direct measurements for these ketones under combustion-relevant conditions. The effects of the position of the carbonyl group (C=O) and methyl (CH3) branching on the overall rate constant with OH are examined. Using previously published data, rate constant expressions covering, low-to-high temperatures, are developed for acetone, 2-butanone, 3-pentanone, and the hexanone isomers studied here. These Arrhenius expressions are used to devise rate rules for H-abstraction from various sites. Specifically, the current scheme is applied with good success to H-abstraction by OH from a series of n-ketones. Finally, general expressions for primary and secondary site-specific H-abstraction by OH from ketones are proposed as follows (the subscript numbers indicate the number of carbon atoms bonded to the next-nearest-neighbor carbon atom, the subscript CO indicates that the abstraction is from a site next to the carbonyl group (C=O), and the prime is used to differentiate different neighboring environments of a methylene group):
The rate coefficient for the reaction NO2 + NO3 yielding NO + NO2 + O2 from 273 to 313 K
Cantrell, Chris A.; Shetter, Richard E.; Mcdaniel, Anthony H.; Calvert, Jack G.
1990-01-01
The ratio of rate constants for the reaction NO3 + NO yielding 2 NO2 (k3) and the reaction NO2 + NO3 yielding NO + NO2 + O2 (k4) were determined by measuring of NO and NO2 concentrations of NO and NO2 in an N2O5/NO2/N2 mixture over the temperature range 273-313 K. The measured ratio was found to be expressed by the equation k3/k4 = 387 exp(-1375/T). The results are consistent with those of Hammer et al. (1986).
Directory of Open Access Journals (Sweden)
S.B. Jonnalagadda
2012-08-01
Full Text Available ‘Simkine3’, a Delphi based software is developed to simulate the kinetic schemes of complex reaction mechanisms involving multiple sequential and competitive elementary steps for homogeneous and heterogeneous chemical reactions. Simkine3 is designed to translate the user specified mechanism into chemical first-order differential equations (ODEs and optimise the estimated rate constants in such a way that simulated curves match the experimental kinetic profiles. TLSoda which uses backward differentiation method is utilised to solve resulting ODEs and Downhill Simplex method is used to optimise the estimated rate constants in a robotic way. An online help file is developed using HelpScrible Demo to guide the users of Simkine3. The versatility of the software is demonstrated by simulating the complex reaction between methylene violet and acidic bromate, a reaction which exhibits complex nonlinear kinetics. The new software is validated after testing it on a 19-step intricate mechanism involving 15 different species. The kinetic profiles of multiple simulated curves, illustrating the effect of initial concentrations of bromate, and bromide were matched with the corresponding experimental curves.DOI: http://dx.doi.org/10.4314/bcse.v26i2.10
Papadimitriou, Vassileios C; Lazarou, Yannis G; Talukdar, Ranajit K; Burkholder, James B
2011-01-20
Rate coefficients, k, for the gas-phase reactions of Cl atoms and NO(3) radicals with 2,3,3,3-tetrafluoropropene, CF(3)CF═CH(2) (HFO-1234yf), and 1,2,3,3,3-pentafluoropropene, (Z)-CF(3)CF═CHF (HFO-1225ye), are reported. Cl-atom rate coefficients were measured in the fall-off region as a function of temperature (220-380 K) and pressure (50-630 Torr; N(2), O(2), and synthetic air) using a relative rate method. The measured rate coefficients are well represented by the fall-off parameters k(0)(T) = 6.5 × 10(-28) (T/300)(-6.9) cm(6) molecule(-2) s(-1) and k(∞)(T) = 7.7 × 10(-11) (T/300)(-0.65) cm(3) molecule(-1) s(-1) for CF(3)CF═CH(2) and k(0)(T) = 3 × 10(-27) (T/300)(-6.5) cm(6) molecule(-2) s(-1) and k(∞)(T) = 4.15 × 10(-11) (T/300)(-0.5) cm(3) molecule(-1) s(-1) for (Z)-CF(3)C═CHF with F(c) = 0.6. Reaction product yields were measured in the presence of O(2) to be (98 ± 7)% for CF(3)C(O)F and (61 ± 4)% for HC(O)Cl in the CF(3)CF═CH(2) reaction and (108 ± 8)% for CF(3)C(O)F and (112 ± 8)% for HC(O)F in the (Z)-CF(3)CF═CHF reaction, where the quoted uncertainties are 2σ (95% confidence level) and include estimated systematic errors. NO(3) reaction rate coefficients were determined using absolute and relative rate methods. Absolute measurements yielded upper limits for both reactions between 233 and 353 K, while the relative rate measurements yielded k(3)(295 K) = (2.6 ± 0.25) × 10(-17) cm(3) molecule(-1) s(-1) and k(4)(295 K) = (4.2 ± 0.5) × 10(-18) cm(3) molecule(-1) s(-1) for CF(3)CF═CH(2) and (Z)-CF(3)CF═CHF, respectively. The Cl-atom reaction with CF(3)CF═CH(2) and (Z)-CF(3)CF═CHF leads to decreases in their atmospheric lifetimes and global warming potentials and formation of a chlorine-containing product, HC(O)Cl, for CF(3)CF═CH(2). The NO(3) reaction has been shown to have a negligible impact on the atmospheric lifetimes of CF(3)CF═CH(2) and (Z)-CF(3)CF═CHF. The energetics for the reaction of Cl, NO(3), and OH with CF
Energy Technology Data Exchange (ETDEWEB)
Kirillov, A.S., E-mail: kirillov@pgia.ru [Polar Geophysical Institute of Russian Academy of Sciences, Academytown, 26A, Apatity, Murmansk Region, 184209 (Russian Federation)
2013-01-02
Highlights: Black-Right-Pointing-Pointer The quenching rate coefficients of singlet O{sub 2} in collisions with O{sub 2}, N{sub 2}, CO, CO{sub 2} are calculated. Black-Right-Pointing-Pointer Quantum-chemical Rosen-Zener approximation is applied in the calculation. Black-Right-Pointing-Pointer Electronic-vibrational and vibrational-vibrational energy transfer processes are considered. Black-Right-Pointing-Pointer Main mechanisms of the quenching are studied. -- Abstract: The removal rates of singlet molecular oxygen O{sub 2}(b{sup 1}{Sigma}{sub g}{sup +}, v = 0-15) in the collisions with O{sub 2}(X{sup 3}{Sigma}{sub g}{sup -}, v = 0-4), N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +}, v = 0-4), CO(X{sup 1}{Sigma}{sup +}, v = 0-4) molecules are calculated according to analytical expression based on Rosen-Zener approximation. The calculations consider electronic-vibrational energy transfer processes in the removal. The study of the quenching of O{sub 2}(b{sup 1}{Sigma}{sub g}{sup +}, v) molecules by CO{sub 2} includes a consideration of both electronic-vibrational and vibrational-vibrational energy transfer processes. The calculated quenching rate coefficients for the collisions O{sub 2}(b{sup 1}{Sigma}{sub g}{sup +}, v) + CO{sub 2} show good agreement with available experimental data in the dependence on vibrational levels and temperature.
Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M
2015-03-21
The reaction between atomic chlorine (Cl) and methyl nitrate (CH3ONO2) is significant in the atmosphere, as Cl is a key oxidant, especially in the marine boundary layer, and alkyl nitrates are important nitrogen-containing organic compounds, which are temporary reservoirs of the reactive nitrogen oxides NO, NO2 and NO3 (NOx). Four reaction channels HCl + CH2ONO2, CH3OCl + NO2, CH3Cl + NO3 and CH3O + ClNO2 were considered. The major channel is found to be the H abstraction channel, to give the products HCl + CH2ONO2. For all channels, geometry optimization and frequency calculations were carried out at the M06-2X/6-31+G** level, while relative electronic energies were improved to the UCCSD(T*)-F12/CBS level. The reaction barrier (ΔE(‡)0K) and reaction enthalpy (ΔH(RX)298K) of the H abstraction channel were computed to be 0.61 and -2.30 kcal mol(-1), respectively, at the UCCSD(T*)-F12/CBS//M06-2X/6-31+G** level. Reaction barriers (ΔE(‡)0K) for the other channels are more positive and these pathways do not contribute to the overall reaction rate coefficient in the temperature range considered (200-400 K). Rate coefficients were calculated for the H-abstraction channel at various levels of variational transition state theory (VTST) including tunnelling. Recommended ICVT/SCT rate coefficients in the temperature range 200-400 K are presented for the first time for this reaction. The values obtained in the 200-300 K region are particularly important as they will be valuable for atmospheric modelling calculations involving reactions with methyl nitrate. The implications of the results to atmospheric chemistry are discussed. Also, the enthalpies of formation, ΔHf,298K, of CH3ONO2 and CH2ONO2 were computed to be -29.7 and 19.3 kcal mol(-1), respectively, at the UCCSD(T*)-F12/CBS level.
Faster rates with less catalyst in template-directed reactions
Kanavarioti, A.; Baird, E. E.
1995-01-01
We have recently shown that the polycytidylic acid-directed polymerization of guanosine 5'-monophosphate 2-methylimidazolide (2-MeImpG) is amenable to kinetic study and that rate determinations as a function of 2-MeImpG concentration can reveal much mechanistic detail (Kanavarioti et al. 1993). Here we report kinetic data which show that, once the reaction has been initiated by the formation of dimers, the elongation of dimers to form longer oligomers is accelerated by decreasing polycytidylate (poly(C)) concentration from 0.05 to 0.002 M. This result is consistent with the previously proposed mechanism. The increase in the observed pseudo-first order rate constant for formation of the trimer, k3', and the corresponding constant for formation of oligomers longer than the trimer, ki' (ki' is independent of oligomer length for i > or = 4), with decreasing template concentration for a given monomer concentration is attributed to an increase in template occupancy as template concentration is reduced.
Coefficient estimates of negative powers and inverse coefficients for ...
Indian Academy of Sciences (India)
Home; Journals; Proceedings – Mathematical Sciences; Volume 127; Issue 3. Coefficient estimates of negative powers and inverse coefficients for certain starlike functions. MD FIROZ ALI A ... Keywords. Univalent; starlike; meromorphic functions; subordination; coefficient bounds; inverse coefficient bounds ...
Akimoto, Ryo; Tokugawa, Takehiro; Yamamoto, Yutaro; Yamataka, Hiroshi
2012-04-20
The Schmidt rearrangement of substituted 3-phenyl-2-butanone with trimethylsilyl azide in 90% (v/v) aqueous TFA gave two types of product, fragmentation and rearrangement, the ratio of which depends on the substituent: more fragmentation for a more electron-donating substituent. Rate measurements by azotometry indicated the presence of an induction period, and the pseudo-first-order rate constants showed saturation kinetics with respect to the azide concentration. It was indicated that the reaction proceeds through pre-equilibrium in the formation of iminodiazonium (ID) ion and that the N(2) liberation from the ID ion is rate-determining. Under high azide concentration conditions, where the effective reactant is the ID ion, the reaction gave a linear Hammett plot with a ρ value of -0.50. The observed substituent effects on the rate and the product selectivity imply that path bifurcation on the way from the rate-determining TS to the product states occurs, as suggested by previous molecular dynamics simulations, in a similar manner to the analogous Beckmann rearrangement/fragmentation reactions. © 2012 American Chemical Society
Dung Tran, Thuy; Rednyk, Serhiy; Kovalenko, Artem; Roučka, Štěpán; Dohnal, Petr; Plašil, Radek; Gerlich, Dieter; Glosík, Juraj
2018-02-01
{{OH}}+ and {{{H}}}2{{{O}}}+ cations play a significant role in the chemistry of the cold interstellar medium and hence their hydrogen abstraction reactions with {{{H}}}2 have to be included in ion chemical models. The reactions lead directly or indirectly to {{{H}}}3{{{O}}}+ ions that subsequently recombine with electrons and dissociate into H atoms and {{{H}}}2{{O}}. The experiments described in this paper provide rate coefficients ({k}{{OH}+} and {k}{{{H}}2{{{O}}}+}) for the reactions of {{OH}}+ and {{{H}}}2{{{O}}}+ with {{{H}}}2 over a wide temperature range (from 15 to 300 K). A cryogenic 22-pole RF ion trap instrument was employed for this purpose. It was found that {k}{{OH}+} increases from (0.76+/- 0.30)× {10}-9 {{cm}}3 {{{s}}}-1 at 17 K to (1.24+/- 0.25)× {10}-9 {{cm}}3 {{{s}}}-1 at 263 K while {k}{{{H}}2{{{O}}}+} is nearly constant, varying from (0.93+/- 0.35) × {10}-9 {{cm}}3 {{{s}}}-1 at 17 K to (1.00+/- 0.25)× {10}-9 {{cm}}3 {{{s}}}-1 at 218 K.
Prestarlike functions with negative coefficients
Directory of Open Access Journals (Sweden)
H. Silverman
1979-01-01
Full Text Available The extreme points for prestarlike functions having negative coefficients are determined. Coefficient, distortion and radii of univalence, starlikeness, and convexity theorems are also obtained.
Dotto, G L; Pinto, L A A
2011-03-15
Adsorption of food dyes acid blue 9 and food yellow 3 onto chitosan was studied. Stirring rate influence on kinetics and mechanism was verified. Infra-red analysis was carried out before and after adsorption in order to verify the adsorption nature. Adsorption experiments were carried out in batch systems with different stirring rates (15-400 rpm). Kinetic behavior was analyzed through the pseudo-first-order, pseudo-second-order and Elovich models. Adsorption mechanism was verified according to the film diffusion model and HSDM model. Pseudo-second-order and Elovich models were satisfactory in order to represent experimental data in all stirring rates. For both dyes, adsorption occurred by film and intraparticle diffusion, and the stirring rate increase caused a decrease in film diffusion resistance. Therefore, the film diffusivity increased the adsorption capacity and, consequently, intraparticle diffusivity increased. In all stirring rates, the rate-limiting step was film diffusion. Adsorption of acid blue 9 and food yellow 3 onto chitosan occurred by chemiosorption. Copyright © 2011 Elsevier B.V. All rights reserved.
Heat transfer coefficient of cryotop during freezing.
Li, W J; Zhou, X L; Wang, H S; Liu, B L; Dai, J J
2013-01-01
Cryotop is an efficient vitrification method for cryopreservation of oocytes. It has been widely used owing to its simple operation and high freezing rate. Recently, the heat transfer performance of cryotop was studied by numerical simulation in several studies. However, the range of heat transfer coefficient in the simulation is uncertain. In this study, the heat transfer coefficient for cryotop during freezing process was analyzed. The cooling rates of 40 percent ethylene glycol (EG) droplet in cryotop during freezing were measured by ultra-fast measurement system and calculated by numerical simulation at different value of heat transfer coefficient. Compared with the results obtained by two methods, the range of the heat transfer coefficient necessary for the numerical simulation of cryotop was determined, which is between 9000 W/(m(2)·K) and 10000 W/(m (2)·K).
High-temperature rate constant measurements for OH+xylenes
Elwardani, Ahmed Elsaid
2015-06-01
The overall rate constants for the reactions of hydroxyl (OH) radicals with o-xylene (k 1), m-xylene (k 2), and p-xylene (k 3) were measured behind reflected shock waves over 890-1406K at pressures of 1.3-1.8atm using OH laser absorption near 306.7nm. Measurements were performed under pseudo-first-order conditions. The measured rate constants, inferred using a mechanism-fitting approach, can be expressed in Arrhenius form as:k1=2.93×1013exp(-1350.3/T)cm3mol-1s-1(890-1406K)k2=3.49×1013exp(-1449.3/T)cm3mol-1s-1(906-1391K)k3=3.5×1013exp(-1407.5/T)cm3mol-1s-1(908-1383K)This paper presents, to our knowledge, first high-temperature measurements of the rate constants of the reactions of xylene isomers with OH radicals. Low-temperature rate-constant measurements by Nicovich et al. (1981) were combined with the measurements in this study to obtain the following Arrhenius expressions, which are applicable over a wider temperature range:k1=2.64×1013exp(-1181.5/T)cm3mol-1s-1(508-1406K)k2=3.05×109exp(-400/T)cm3mol-1s-1(508-1391K)k3=3.0×109exp(-440/T)cm3mol-1s-1(526-1383K) © 2015 The Combustion Institute.
On the Kendall Correlation Coefficient
Stepanov, Alexei
2015-01-01
In the present paper, we first discuss the Kendall rank correlation coefficient. In continuous case, we define the Kendall rank correlation coefficient in terms of the concomitants of order statistics, find the expected value of the Kendall rank correlation coefficient and show that the later is free of n. We also prove that in continuous case the Kendall correlation coefficient converges in probability to its expected value. We then propose to consider the expected value of the Kendall rank ...
Effect of application rate on fumigant degradation in five agricultural soils.
Qin, Ruijun; Gao, Suduan; Ajwa, Husein; Hanson, Bradley D
2016-01-15
Soil fumigation is an important pest management tool for many high value crops. To address the knowledge gap of how fumigant concentration in soil impacts dissipation, and thereby efficacy, this research determined the degradation characteristics of four fumigants as affected by application rate. Laboratory incubation experiments were conducted to determine degradation rates of 1,3-dichloropropene (both cis- and trans isomers), chloropicrin (CP), dimethyl disulfide (DMDS), and methyl iodide (MeI) in five agricultural soils. Fitted to pseudo first-order kinetics, the degradation rate constant (k) of CP, DMDS, and MeI decreased significantly as application rate increased while the 1,3-D isomers were the least affected by rate. Half-lives increased 12, 17, and 6-fold for CP, DMDS, and MeI, respectively, from the lowest to the highest application rate. At low application rates, the degradation rate of all fumigants in the Hueneme sandy loam soil was reduced by 50-95% in sterilized soil compared to the biologically active controls. However, this difference became much smaller or disappeared at high application rates indicating that biodegradation dominates at low concentrations but chemical degradation is more important at high concentrations. When co-applied, CP degradation was enhanced with biodegradation remained above 50%, while 1,3-D degradation was either reduced or not changed. Among the fumigants tested, the relative importance of biodegradation was DMDS>CP>MeI>1,3-D. These results are useful for determining effective fumigation rates and for informing regulatory decisions on emission controls under different fumigation scenarios. Copyright © 2015 Elsevier B.V. All rights reserved.
Sabine absorption coefficients to random incidence absorption coefficients
DEFF Research Database (Denmark)
Jeong, Cheol-Ho
2014-01-01
into random incidence absorption coefficients for porous absorbers are investigated. Two optimization-based conversion methods are suggested: the surface impedance estimation for locally reacting absorbers and the flow resistivity estimation for extendedly reacting absorbers. The suggested conversion methods......Absorption coefficients measured by the chamber method are referred to as Sabine absorption coefficients, which sometimes exceed unity due to the finite size of a specimen and non-uniform intensity in the test chamber. In this study, several methods that convert Sabine absorption coefficients...
Quadrature formulas for Fourier coefficients
Bojanov, Borislav
2009-09-01
We consider quadrature formulas of high degree of precision for the computation of the Fourier coefficients in expansions of functions with respect to a system of orthogonal polynomials. In particular, we show the uniqueness of a multiple node formula for the Fourier-Tchebycheff coefficients given by Micchelli and Sharma and construct new Gaussian formulas for the Fourier coefficients of a function, based on the values of the function and its derivatives. © 2009 Elsevier B.V. All rights reserved.
Measuring of heat transfer coefficient
DEFF Research Database (Denmark)
Henningsen, Poul; Lindegren, Maria
Subtask 3.4 Measuring of heat transfer coefficient Subtask 3.4.1 Design and setting up of tests to measure heat transfer coefficient Objective: Complementary testing methods together with the relevant experimental equipment are to be designed by the two partners involved in order to measure...... the heat transfer coefficient for a wide range of interface conditions in hot and warm forging processes. Subtask 3.4.2 Measurement of heat transfer coefficient The objective of subtask 3.4.2 is to determine heat transfer values for different interface conditions reflecting those typically operating in hot...
Curvature of Indoor Sensor Network: Clustering Coefficient
Directory of Open Access Journals (Sweden)
Ariaei F
2008-01-01
Full Text Available Abstract We investigate the geometric properties of the communication graph in realistic low-power wireless networks. In particular, we explore the concept of the curvature of a wireless network via the clustering coefficient. Clustering coefficient analysis is a computationally simplified, semilocal approach, which nevertheless captures such a large-scale feature as congestion in the underlying network. The clustering coefficient concept is applied to three cases of indoor sensor networks, under varying thresholds on the link packet reception rate (PRR. A transition from positive curvature ("meshed" network to negative curvature ("core concentric" network is observed by increasing the threshold. Even though this paper deals with network curvature per se, we nevertheless expand on the underlying congestion motivation, propose several new concepts (network inertia and centroid, and finally we argue that greedy routing on a virtual positively curved network achieves load balancing on the physical network.
Curvature of Indoor Sensor Network: Clustering Coefficient
Directory of Open Access Journals (Sweden)
2009-03-01
Full Text Available We investigate the geometric properties of the communication graph in realistic low-power wireless networks. In particular, we explore the concept of the curvature of a wireless network via the clustering coefficient. Clustering coefficient analysis is a computationally simplified, semilocal approach, which nevertheless captures such a large-scale feature as congestion in the underlying network. The clustering coefficient concept is applied to three cases of indoor sensor networks, under varying thresholds on the link packet reception rate (PRR. A transition from positive curvature (“meshed” network to negative curvature (“core concentric” network is observed by increasing the threshold. Even though this paper deals with network curvature per se, we nevertheless expand on the underlying congestion motivation, propose several new concepts (network inertia and centroid, and finally we argue that greedy routing on a virtual positively curved network achieves load balancing on the physical network.
Polychlorinated ethane reaction with zero-valent zinc: pathways and rate control
Arnold, William A.; Ball, William P.; Roberts, A. Lynn
1999-12-01
Efficient design of zero-valent metal permeable `barriers' for the reduction of organohalides requires information regarding the pertinent reaction rates as well as an understanding of the resultant distribution of products. In this study, the pathways and kinetics for reaction of polychlorinated ethanes with Zn(0) have been examined in batch reactors. Reductive β-elimination was the only route through which hexachloroethane (HCA), 1,1,1,2-tetrachloroethane (1,1,1,2-TeCA), 1,1,2,2-tetrachloroethane (1,1,2,2-TeCA), 1,1,2-trichloroethane (1,1,2-TCA) and 1,2-dichloroethane (1,2-DCA) reacted. Pentachloroethane (PCA) reacted via concurrent reductive β-elimination (93%) and hydrolysis (7%). As previously demonstrated, 1,1,1-trichloroethane (1,1,1-TCA) and 1,1-dichloroethane (1,1-DCA) reacted predominantly via reductive α-elimination. Attempts to correlate BET surface area-normalized rate constants ( kSA-BET) with one-electron reduction potential ( E1) met with limited success, as HCA, PCA, 1,1,1,2-TeCA, and 1,1,1-TCA reacted at nearly identical rates despite substantial differences in E1 values. Comparison of the pseudo-first-order rate constants ( kobs) for these species with rate constants ( kLa) obtained from a correlation for mass transfer to suspended particles revealed that the reaction of these species was mass transfer limited even though reaction rates were unaffected by mixing speed. Calculations suggest that mass transfer limitations may also play a role in the design of treatment systems for highly reactive species, with overall rate constants predicted to increase with flow velocity.
Graph characterization via Ihara coefficients.
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.
Ong, Soon-An; Min, Ohm-Mar; Ho, Li-Ngee; Wong, Yee-Shian
2013-05-01
The objective of this study was to examine the effects of adsorbability and number of sulfonate group on solar photocatalytic degradation of mono azo methyl orange (MO) and diazo Reactive Green 19 (RG19) in single and binary dye solutions. The adsorption capacity of MO and RG19 onto the TiO₂ was 16.9 and 26.8 mg/g, respectively, in single dye solution, and reduced to 5.0 and 23.1 mg/g, respectively, in the binary dye solution. The data obtained for photocatalytic degradation of MO and RG19 in single and binary dye solution were well fitted with the Langmuir-Hinshelwood kinetic model. The pseudo-first-order rate constants of diazo RG19 were significant higher than the mono azo MO either in single or binary dye solutions. The higher number of sulfonate group in RG19 contributed to better adsorption capacity onto the surface of TiO₂ than MO indicating greater photocatalytic degradation rate.
Kinetic characteristics of gas-liquid ozone reactions
Levanov, A. V.; Isaikina, O. Ya.; Lunin, V. V.
2017-10-01
An experimental chemical method for determining the kinetic characteristics (volumetric mass transfer coefficient and rate constant of a second-order reaction) of gas-liquid ozone reactions in a bubble column reactor is described. The calculation formulas are substantiated, and the ranges of values of the experimental factors that determine the method's limits of applicability are found. The conditions under which the boundary-value problem of a gas-liquid ozone reaction of the second order can be reduced to a problem of a pseudo-first order reaction allowing an analytical solution are revealed.
Fuel Temperature Coefficient of Reactivity
Energy Technology Data Exchange (ETDEWEB)
Loewe, W.E.
2001-07-31
A method for measuring the fuel temperature coefficient of reactivity in a heterogeneous nuclear reactor is presented. The method, which is used during normal operation, requires that calibrated control rods be oscillated in a special way at a high reactor power level. The value of the fuel temperature coefficient of reactivity is found from the measured flux responses to these oscillations. Application of the method in a Savannah River reactor charged with natural uranium is discussed.
Discharge coefficient of semi-circular labyrinth side weir in ...
African Journals Online (AJOL)
Labyrinth weirs have a proven hydraulic advantage due to their increased discharge rate at the same head for a given design condition. ... coefficient of the semi-circular labyrinth side weir gives a relatively high discharge coefficient value compared to other types of classic side weir positioned on a straight channel.
Determination of gamma ray attenuation coefficients of Al–4% Cu ...
Indian Academy of Sciences (India)
Gamma ray attenuation coefficients of metal matrix composites have been investigated. For this purpose, the linear attenuation coefficients of composites containing boron carbide (B4C) at different rates have been measured using a gamma spectrometer that contains a NaI(Tl) detector and MCA at 662, 1173 and 1332 keV, ...
Determination of gamma ray attenuation coefficients of Al–4% Cu ...
Indian Academy of Sciences (India)
Administrator
Abstract. Gamma ray attenuation coefficients of metal matrix composites have been investigated. For this purpose, the linear attenuation coefficients of composites containing boron carbide (B4C) at different rates have been measured using a gamma spectrometer that contains a NaI(Tl) detector and MCA at 662, 1173 and.
Ventilation coefficient trends in the recent decades over four major ...
Indian Academy of Sciences (India)
A decreasing trend in ventilation coefficient is observed in all the four metros during the 30 years period indicating increasing pollution potential and a degradation in the air quality over these urban centers. In Delhi, the ventilation coefficient decreased at the rate of 49 and 32 m2/s/year in the months of December and ...
Enhancing blooming period and propagation coefficient of tulip ...
African Journals Online (AJOL)
Ramash
Means within the columns followed by the same letters are not significantly different at 0.05 level of significance. Figure 2. Effect of GA3, CCC and MH on propagation coefficient of tulip cv. Apeldoorn. control. The propagation coefficient reveals the multiplication rate by overall bulbs and daughter bulbs production by plant.
Recursive calculation of Hansen coefficients
Branham, Richard L., Jr.
1990-06-01
Hansen coefficients are used in expansions of the elliptic motion. Three methods for calculating the coefficients are studied: Tisserand's method, the Von Zeipel-Andoyer (VZA) method with explicit representation of the polynomials required to compute the Hansen coefficients, and the VZA method with the values of the polynomials calculated recursively. The VZA method with explicit polynomials is by far the most rapid, but the tabulation of the polynomials only extends to 12th order in powers of the eccentricity, and unless one has access to the polynomials in machine-readable form their entry is laborious and error-prone. The recursive calculation of the VZA polynomials, needed to compute the Hansen coefficients, while slower, is faster than the calculation of the Hansen coefficients by Tisserand's method, up to 10th order in the eccentricity and is still relatively efficient for higher orders. The main advantages of the recursive calculation are the simplicity of the program and one's being able to extend the expansions to any order of eccentricity with ease. Because FORTRAN does not implement recursive procedures, this paper used C for all of the calculations. The most important conclusion is recursion's genuine usefulness in scientific computing.
Coefficient estimates of negative powers and inverse coefficients for ...
Indian Academy of Sciences (India)
1 an(−λ, f )zn for z ∈ D. (1.4). One of the well-known extremal problems in the theory of univalent functions is to esti- mate the modulus of the Taylor coefficients an(−λ, f ) given by (1.4). This problem has been extensively studied in the literature ...
Algebraic polynomials with random coefficients
Directory of Open Access Journals (Sweden)
K. Farahmand
2002-01-01
Full Text Available This paper provides an asymptotic value for the mathematical expected number of points of inflections of a random polynomial of the form a0(ω+a1(ω(n11/2x+a2(ω(n21/2x2+…an(ω(nn1/2xn when n is large. The coefficients {aj(w}j=0n, w∈Ω are assumed to be a sequence of independent normally distributed random variables with means zero and variance one, each defined on a fixed probability space (A,Ω,Pr. A special case of dependent coefficients is also studied.
Harmonic functions with varying coefficients
Directory of Open Access Journals (Sweden)
Jacek Dziok
2016-05-01
Full Text Available Abstract Complex-valued harmonic functions that are univalent and sense preserving in the open unit disk can be written in the form f = h + g ‾ $f=h+\\overline{g}$ , where h and g are analytic. In this paper we investigate some classes of univalent harmonic functions with varying coefficients related to Janowski functions. By using the extreme points theory we obtain necessary and sufficient convolution conditions, coefficients estimates, distortion theorems, and integral mean inequalities for these classes of functions. The radii of starlikeness and convexity for these classes are also determined.
Irrational "Coefficients" in Renaissance Algebra.
Oaks, Jeffrey A
2017-06-01
Argument From the time of al-Khwārizmī in the ninth century to the beginning of the sixteenth century algebraists did not allow irrational numbers to serve as coefficients. To multiply by x, for instance, the result was expressed as the rhetorical equivalent of . The reason for this practice has to do with the premodern concept of a monomial. The coefficient, or "number," of a term was thought of as how many of that term are present, and not as the scalar multiple that we work with today. Then, in sixteenth-century Europe, a few algebraists began to allow for irrational coefficients in their notation. Christoff Rudolff (1525) was the first to admit them in special cases, and subsequently they appear more liberally in Cardano (1539), Scheubel (1550), Bombelli (1572), and others, though most algebraists continued to ban them. We survey this development by examining the texts that show irrational coefficients and those that argue against them. We show that the debate took place entirely in the conceptual context of premodern, "cossic" algebra, and persisted in the sixteenth century independent of the development of the new algebra of Viète, Decartes, and Fermat. This was a formal innovation violating prevailing concepts that we propose could only be introduced because of the growing autonomy of notation from rhetorical text.
Kuznetsov equation with variable coefficients
Indian Academy of Sciences (India)
Travelling wave-like solutions of the Zakharov–Kuznetsov equation with vari- able coefficients are studied using the ... exact solutions of nonlinear partial differential equations. Some of the most impor- tant methods are the ... In general, there is no standard method for solving nonlinear. PDEs and more so for PDEs in 2+1 ...
Badra, Jihad
2014-01-01
Reaction rate constants of the reaction of four large ketones with hydroxyl (OH) are investigated behind reflected shock waves using OH laser absorption. The studied ketones are isomers of hexanone and include 2-hexanone, 3-hexanone, 3-methyl-2-pentanone, and 4-methl-2-pentanone. Rate constants are measured under pseudo-first-order kinetics at temperatures ranging from 866 K to 1375 K and pressures near 1.5 atm. The reported high-temperature rate constant measurements are the first direct measurements for these ketones under combustion-relevant conditions. The effects of the position of the carbonyl group (CO) and methyl (CH3) branching on the overall rate constant with OH are examined. Using previously published data, rate constant expressions covering, low-to-high temperatures, are developed for acetone, 2-butanone, 3-pentanone, and the hexanone isomers studied here. These Arrhenius expressions are used to devise rate rules for H-abstraction from various sites. Specifically, the current scheme is applied with good success to H-abstraction by OH from a series of n-ketones. Finally, general expressions for primary and secondary site-specific H-abstraction by OH from ketones are proposed as follows (the subscript numbers indicate the number of carbon atoms bonded to the next-nearest-neighbor carbon atom, the subscript CO indicates that the abstraction is from a site next to the carbonyl group (CO), and the prime is used to differentiate different neighboring environments of a methylene group):P1,CO = 7.38 × 10-14 exp(-274 K/T) + 9.17 × 10-12 exp(-2499 K/T) (285-1355 K)S10,CO = 1.20 × 10-11 exp(-2046 K/T) + 2.20 × 10-13 exp(160 K/T) (222-1464 K)S11,CO = 4.50 × 10-11 exp(-3000 K/T) + 8.50 × 10-15 exp(1440 K/T) (248-1302 K)S11′,CO = 3.80 × 10-11 exp(-2500 K/T) + 8.50 × 10-15 exp(1550 K/T) (263-1370 K)S 21,CO = 5.00 × 10-11 exp(-2500 K/T) + 4.00 × 10-13 exp(775 K/T) (297-1376 K) © 2014 the Partner Organisations.
Robust correlation coefficient based on Qn estimator
Zakaria, Nur Amira; Abdullah, Suhaida; Ahad, Nor Aishah
2017-11-01
This paper presents a new robust correlation coefficient called Qn correlation coefficient. This coefficient is developed as an alternative for classical correlation coefficient as the performance of classical correlation coefficient is nasty under contamination data. This study applied robust scale estimator called Qn because this estimator have high breakdown point. Simulation studies are carried out in determining the performances of the new robust correlation coefficient. Clean and contamination data are generated in assessing the performance of these coefficient. The performances of the Qn correlation coefficient is compared with classical correlation coefficient based on the value of coefficient, average bias and standard error. The outcome of the simulation studies shows that the performance of Qn correlation coefficient is superior compared to the classical and existing robust correlation coefficient.
Effective Diffusion Coefficients in Coal Chars
DEFF Research Database (Denmark)
Johnsson, Jan Erik; Jensen, Anker
2001-01-01
. Particle sizes in the range 0.05-5 mm were tested, and the effective diffusion coefficients were estimated from measured effectiveness factors using the Thiele modulus. At 1079 K the effective diffusion coefficients were 5.5 X 10(-6) m(2)/s and 6.8 X 10(-6) m(2)/s for N2O and NO, respectively....... The experimental results were compared with theoretical values calculated from the mean pore radius and the cross-linked pore model. The method of mean pore radius underestimated the effective diffusion coefficient more than an order of magnitude. Using the cross-linked pore model, the bimodal pore size....... In the case of strong pore diffusion limitations, the error in the interpretation of experimental results using the mean pore radius could be a factor of 5 on the intrinsic rate constant. For an average coal char reacting with oxygen at 1300 K, this would be the case for particle sizes larger than about 50...
Dammeier, J; Friedrichs, G
2011-12-22
The high-temperature rate constants of the reactions NCN + NO and NCN + NO(2) have been directly measured behind shock waves under pseudo-first-order conditions. NCN has been generated by the pyrolysis of cyanogen azide (NCN(3)) and quantitatively detected by sensitive difference amplification laser absorption spectroscopy at a wavelength of 329.1302 nm. The NCN(3) decomposition initially yields electronically excited (1)NCN radicals, which are subsequently transformed to the triplet ground state by collision-induced intersystem crossing (CIISC). CIISC efficiencies were found to increase in the order of Ar < NO(2) < NO as the collision gases. The rate constants of the NCN + NO/NO(2) reactions can be expressed as k(NCN+NO)/(cm(3) mol(-1)s(-1)) = 1.9 × 10(12) exp[-26.3 (kJ/mol)/RT] (±7%,ΔE(a) = ± 1.6 kJ/mol, 764 K < T < 1944 K) and k(NCN+NO(2))/(cm(3) mol(-1)s(-1)) = 4.7 × 10(12) exp[-38.0(kJ/mol)/RT] (±19%,ΔE(a) = ± 3.8 kJ/mol, 704 K < T < 1659 K). In striking contrast to reported low-temperature measurements, which are dominated by recombination processes, both reaction rates show a positive temperature dependence and are independent of the total density (1.7 × 10(-6) mol/cm(3) < ρ < 7.6 × 10(-6) mol/cm(3)). For both reactions, the minima of the total rate constants occur at temperatures below 700 K, showing that, at combustion-relevant temperatures, the overall reactions are dominated by direct or indirect abstraction pathways according to NCN + NO → CN + N(2)O and NCN + NO(2) → NCNO + NO.
DEFF Research Database (Denmark)
Jeong, Cheol-Ho; Chang, Ji-ho
2015-01-01
Absorption coefficients measured in reverberation chambers, Sabine absorption coefficients, suffer from two major problems. Firstly, they sometimes exceed unity. Secondly, the reproducibility of the Sabine absorption coefficients is quite poor, meaning that the Sabine absorption coefficients vary...
Rate coefficients for hydrogen abstraction reaction of pinonaldehyde ...
Indian Academy of Sciences (India)
Abstract. The kinetics of the reaction between pinonaldehyde (C10H16O2) and Cl atom were studied using high level ab initio G3(MP2) and DFT based MPWB1K/6-31+G(d) and MPW1K/6-31+G(d) levels of theo- ries coupled with Conventional Transition State Theory in the temperature range between 200 and 400 K. The.
On the friction coefficient of straight-chain aggregates.
Isella, Lorenzo; Drossinos, Yannis
2011-04-15
A methodology to calculate the friction coefficient of an aggregate in the continuum regime is proposed. The friction coefficient and the monomer shielding factors, aggregate-average or individual, are related to the molecule-aggregate collision rate that is obtained from the molecular diffusion equation with an absorbing boundary condition on the aggregate surface. Calculated friction coefficients of straight chains are in very good agreement with previous results, suggesting that the friction coefficients may be accurately calculated from the product of the collision rate and an average momentum transfer, the latter being independent of aggregate morphology. Langevin-dynamics simulations show that the diffusive motion of straight-chain aggregates may be described either by a monomer-dependent or an aggregate-average random force, if the shielding factors are appropriately chosen. Copyright © 2011 Elsevier Inc. All rights reserved.
Study of transport coefficients of nanodiamond nanofluids
Pryazhnikov, M. I.; Minakov, A. V.; Guzei, D. V.
2017-09-01
Experimental data on the thermal conductivity coefficient and viscosity coefficient of nanodiamond nanofluids are presented. Distilled water and ethylene glycol were used as the base fluid. Dependences of transport coefficients on concentration are obtained. It was shown that the thermal conductivity coefficient increases with increasing nanodiamonds concentration. It was shown that base fluids properties and nanodiamonds concentration affect on the rheology of nanofluids.
Evaluation of Rock Joint Coefficients
Audy, Ondřej; Ficker, Tomáš
2017-10-01
A computer method for evaluation of rock joint coefficients is described and several applications are presented. The method is based on two absolute numerical indicators that are formed by means of the Fourier replicas of rock joint profiles. The first indicator quantifies the vertical depth of profiles and the second indicator classifies wavy character of profiles. The absolute indicators have replaced the formerly used relative indicators that showed some artificial behavior in some cases. This contribution is focused on practical computations testing the functionality of the newly introduced indicators.
Friction analysis of kinetic schemes : the friction coefficient
Lolkema, Juke S.
1995-01-01
Friction analysis is proposed as the application of general control analysis to single enzymes to describe the control of elementary kinetic steps on the overall catalytic rate. For each transition, a friction coefficient is defined that measures the sensitivity of the turnover rate to the free
Measurements of thermal accommodation coefficients.
Energy Technology Data Exchange (ETDEWEB)
Rader, Daniel John; Castaneda, Jaime N.; Torczynski, John Robert; Grasser, Thomas W.; Trott, Wayne Merle
2005-10-01
A previously-developed experimental facility has been used to determine gas-surface thermal accommodation coefficients from the pressure dependence of the heat flux between parallel plates of similar material but different surface finish. Heat flux between the plates is inferred from measurements of temperature drop between the plate surface and an adjacent temperature-controlled water bath. Thermal accommodation measurements were determined from the pressure dependence of the heat flux for a fixed plate separation. Measurements of argon and nitrogen in contact with standard machined (lathed) or polished 304 stainless steel plates are indistinguishable within experimental uncertainty. Thus, the accommodation coefficient of 304 stainless steel with nitrogen and argon is estimated to be 0.80 {+-} 0.02 and 0.87 {+-} 0.02, respectively, independent of the surface roughness within the range likely to be encountered in engineering practice. Measurements of the accommodation of helium showed a slight variation with 304 stainless steel surface roughness: 0.36 {+-} 0.02 for a standard machine finish and 0.40 {+-} 0.02 for a polished finish. Planned tests with carbon-nanotube-coated plates will be performed when 304 stainless-steel blanks have been successfully coated.
Energy Technology Data Exchange (ETDEWEB)
McCleskey, M; Mukhamedzhanov, A M; Trache, L; Tribble, R E; Banu, A; Eremenko, V; Goldberg, V Z; Lui, Y W; McCleskey, E; Roeder, B T; Spiridon, A; Carstoiu, F; Burjan, V; Hons, Z; Thompson, I J
2014-04-17
The ^{14}C + n <--> ^{15}C system has been used as a test case in the evaluation of a new method to determine spectroscopic factors that uses the asymptotic normalization coefficient (ANC). The method proved to be unsuccessful for this case. As part of this experimental program, the ANCs for the ^{15}C ground state and first excited state were determined using a heavy-ion neutron transfer reaction as well as the inverse kinematics (d,p) reaction, measured at the Texas A&M Cyclotron Institute. The ANCs were used to evaluate the astrophysical direct neutron capture rate on ^{14}C, which was then compared with the most recent direct measurement and found to be in good agreement. A study of the ^{15}C SF via its mirror nucleus ^{15}F and a new insight into deuteron stripping theory are also presented.
Directory of Open Access Journals (Sweden)
Ricardo Luis dos Reis
2008-08-01
Full Text Available Neste estudo, utilizou-se a metodologia Bayesiana para estimar o coeficiente de endogamia e a taxa de fecundação cruzada de uma população diplóide por meio do modelo aleatório de COCKERHAM para freqüências alélicas. Um sistema de simulação de dados foi estruturado para validar a metodologia utilizada. O algoritmo Gibbs Sampler foi implementado no software R para obter amostras das distribuições marginais a posteriori para o coeficiente de endogamia e para a taxa de fecundação. O método Bayesiano mostrou-se eficiente na estimação dos parâmetros, pois os valores paramétricos utilizados na simulação encontravam-se dentro do intervalo de credibilidade de 95% em todos os cenários considerados. A convergência do algoritmo Gibbs Sampler foi verificada, validando assim os resultados obtidos.The Bayesian methodology was used to estimate the inbreeding coefficient and outcrossing rate in diploid populations by COCKERHAM random model to allelic frequency. The proposed methodology was evaluated by data simulation. The Gibbs Sampler algorithm was implemented in the R statistical software to obtain the random samples of the inbreeding coefficient and outcrossing rate posteriors marginal distributions. The Bayesian method showed good results, because the 95% credible intervals contained the true parameter values to all of the selected scenes. The Gibbs Sampler convergence was checked and this validated the estimation results.
Higher Order Macro Coefficients in Periodic Homogenization
Energy Technology Data Exchange (ETDEWEB)
Conca, Carlos; San Martin, Jorge [Departamento de IngenierIa Matematica, Facultad de Ciencias Fisicas y Matematicas, Universidad de Chile and Centro de Modelamiento Matematico, UMR 2071 CNRS-UChile, Casilla 170/3 - Correo 3, Santiago (Chile); Smaranda, Loredana [Department of Mathematics, Faculty of Mathematics and Computer Science, University of Pitesti, 110040 Pitesti, Str. Targu din Vale Nr.1, Arges (Romania); Vanninathan, Muthusamy, E-mail: cconca@dim.uchile.cl, E-mail: jorge@dim.uchile.cl, E-mail: smaranda@dim.uchile.cl, E-mail: vanni@math.tifrbng.res.in [TIFR-CAM, Post Bag 6503, GKVK Post, Bangalore - 560065 (India)
2011-09-15
A first set of macro coefficients known as the homogenized coefficients appear in the homogenization of PDE on periodic structures. If energy is increased or scale is decreased, these coefficients do not provide adequate approximation. Using Bloch decomposition, it is first realized that the above coefficients correspond to the lowest energy and the largest scale. This naturally paves the way to introduce other sets of macro coefficients corresponding to higher energies and lower scales which yield better approximation. The next task is to compare their properties with those of the homogenized coefficients. This article reviews these developments along with some new results yet to be published.
[Electroencephalogram Feature Selection Based on Correlation Coefficient Analysis].
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.
Seebeck Coefficient of SOI Layer Induced by Phonon Transport
Directory of Open Access Journals (Sweden)
Faiz Salleh
2015-04-01
Full Text Available The Seebeck coefficient of a patterned Si wire on P-doped SOI (Si-on-insulator layer with a carrier concentration of 1018 cm-3 was measured near room temperature. The Seebeck coefficient is found to be smaller than that in the SOI layer and to be closer to the calculated Seebeck coefficient including the electronic contribution. The decrease in the Seebeck coefficient of Si wire is likely to occur due to the elimination of the contribution of phonon drag part. From the theoretical calculation of scattering rates by considering the scattering processes in phonon system, it is considered that an increase in phonon-boundary scattering and simultaneously a decrease at the cross section of SOI layer are likely responsible for eliminating the phonon drag effect.
Shuford, Christopher M; Sederoff, Ronald R; Chiang, Vincent L; Muddiman, David C
2012-09-01
No consensus has been reached on the proper time to add stable-isotope labeled (SIL) peptides in protein cleavage isotope dilution mass spectrometry workflows. While quantifying 24 monolignol pathway enzymes in the xylem tissue of Populus trichocarpa, we compared the protein concentrations obtained when adding the SIL standard peptides concurrently with the enzyme or after quenching of the digestion (i.e. postdigestion) and observed discrepancies for nearly all tryptic peptides investigated. In some cases, greater than 30-fold differences were observed. To explain these differences and potentially correct for them, we developed a mathematical model based on pseudo-first-order kinetics to account for the dynamic production and decay (e.g. degradation and precipitation) of the native peptide targets in conjunction with the decay of the SIL peptide standards. A time course study of the digests confirmed the results predicted by the proposed model and revealed that the discrepancy between concurrent and postdigestion introduction of the SIL standards was related to differential decay experienced by the SIL peptide and the native peptide in each method. Given these results, we propose concurrent introduction of the SIL peptide is most appropriate, though not free from bias. Mathematical modeling of this method reveals that overestimation of protein quantities would still result when rapid peptide decay occurs and that this bias would be further exaggerated by slow proteolysis. We derive a simple equation to estimate the bias for each peptide based on the relative rates of production and decay. According to this equation, nearly half of the peptides evaluated here were estimated to have quantitative errors greater than 10% and in a few cases over 100%. We conclude that the instability of peptides can often significantly bias the protein quantities measured in protein cleavage isotope dilution mass spectrometry-based assays and suggest peptide stability be made a priority
Standards for Standardized Logistic Regression Coefficients
Menard, Scott
2011-01-01
Standardized coefficients in logistic regression analysis have the same utility as standardized coefficients in linear regression analysis. Although there has been no consensus on the best way to construct standardized logistic regression coefficients, there is now sufficient evidence to suggest a single best approach to the construction of a…
M-Bonomial Coefficients and Their Identities
Asiru, Muniru A.
2010-01-01
In this note, we introduce M-bonomial coefficients or (M-bonacci binomial coefficients). These are similar to the binomial and the Fibonomial (or Fibonacci-binomial) coefficients and can be displayed in a triangle similar to Pascal's triangle from which some identities become obvious.
Soccer Ball Lift Coefficients via Trajectory Analysis
Goff, John Eric; Carre, Matt J.
2010-01-01
We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin…
Energy coefficients for a propeller series
DEFF Research Database (Denmark)
Olsen, Anders Smærup
2004-01-01
The efficiency for a propeller is calculated by energy coefficients. These coefficients are related to four types of losses, i.e. the axial, the rotational, the frictional, and the finite blade number loss, and one gain, i.e. the axial gain. The energy coefficients are derived by use...... of the potential theory with the propeller modelled as an actuator disk. The efficiency based on the energy coefficients is calculated for a propeller series. The results show a good agreement between the efficiency based on the energy coefficients and the efficiency obtained by a vortex-lattice method....
Attenuation Coefficient Estimation of the Healthy Human Thyroid In Vivo
Rouyer, J.; Cueva, T.; Portal, A.; Yamamoto, T.; Lavarello, R.
Previous studies have demonstrated that attenuation coefficients can be useful towards characterizing thyroid tissues. In this work, ultrasonic attenuation coefficients were estimated from healthy human thyroids in vivo using a clinical scanner. The selected subjects were five young, healthy volunteers (age: 26 ± 6 years old, gender: three females, two males) with no reported history of thyroid diseases, no palpable thyroid nodules, no smoking habits, and body mass index less than 30 kg/m2. Echographic examinations were conducted by a trained sonographer using a SonixTouch system (Ultrasonix Medical Corporation, Richmond, BC) equipped with an L14-5 linear transducer array (nominal center frequency of 10 MHz, transducer footprint of 3.8 cm). Radiofrequency data corresponding to the collected echographic images in both transverse and longitudinal views were digitized at a sampling rate of 40 MHz and processed with Matlab codes (MathWorks, Natick, MA) to estimate attenuation coefficients using the spectral log difference method. The estimation was performed using an analysis bandwidth spanning from 4.0 to 9.0 MHz. The average value of the estimated ultrasonic attenuation coefficients was equal to 1.34 ± 0.15 dB/(cm.MHz). The standard deviation of the estimated average attenuation coefficient across different volunteers suggests a non-negligible inter-subject variability in the ultrasonic attenuation coefficient of the human thyroid.
Kawai, K; Noguchi, H
2002-01-01
Effective dose coefficients, the committed effective dose per unit intake, by inhalation and ingestion have been calculated for 304 nuclides, including (1) 230 nuclides with half-lives >= 10 min and their daughters that are not listed in ICRP Publications and (2) 74 nuclides with half-lives < 10 min that are produced in a spallation target. Effective dose coefficients for inhalation of soluble or reactive gases have been calculated for 21 nuclides, and effective dose rates for inert gases have been calculated for 9 nuclides. Dose calculation was carried out using a general-purpose nuclear decay database DECDC developed at JAERI and a decay data library newly compiled from the ENSDF for the nuclides abundantly produced in a spallation target. The dose coefficients were calculated with the computer code DOCAP based on the respiratory tract model and biokinetic model of ICRP. The effective dose rates were calculated by considering both external irradiation from the surrounding cloud and irradiation of the lun...
Modelling the change in the oxidation coefficient during the aerobic ...
African Journals Online (AJOL)
Modelling the change in the oxidation coefficient during the aerobic degradation of phenol by acclimated activated sludge. CC Lobo, NC Bertola, EM Contreras. Abstract. In this work the aerobic degradation of phenol by acclimated activated sludge was studied. Results demonstrate that while the phenol removal rate by ...
Calculation of generalized secant integral using binomial coefficients.
Guseinov, I I; Mamedov, B A
2004-05-01
A single series expansion relation is derived for the generalized secant (GS) integral in terms of binomial coefficients, exponential integrals and incomplete gamma functions. The convergence of the series is tested by the concrete cases of parameters. The formulas given in this study for the evaluation of GS integral show good rate of convergence and numerical stability.
Methods for measuring diffusion coefficients of radon in building materials
Cozmuta, [No Value; van der Graaf, ER
2001-01-01
Two methods for determining the Rn-222 diffusion coefficient in concrete are presented. Experimentally, the flush and adsorption technique to measure radon release rates underlines both methods. Theoretically, the first method was developed fur samples of cubical geometry. The radon diffusion
Estimation of convection heat and mass transfer coefficients for ...
African Journals Online (AJOL)
Estimation of convection heat and mass transfer coefficients for constant-rate drying period during tape casting. Y T Puyate. Abstract. No Abstract. Global Journal of Engineering Research Vol. 6 (1) 2007: pp. 75-77. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT.
Investigating bias in squared regression structure coefficients.
Nimon, Kim F; Zientek, Linda R; Thompson, Bruce
2015-01-01
The importance of structure coefficients and analogs of regression weights for analysis within the general linear model (GLM) has been well-documented. The purpose of this study was to investigate bias in squared structure coefficients in the context of multiple regression and to determine if a formula that had been shown to correct for bias in squared Pearson correlation coefficients and coefficients of determination could be used to correct for bias in squared regression structure coefficients. Using data from a Monte Carlo simulation, this study found that squared regression structure coefficients corrected with Pratt's formula produced less biased estimates and might be more accurate and stable estimates of population squared regression structure coefficients than estimates with no such corrections. While our findings are in line with prior literature that identified multicollinearity as a predictor of bias in squared regression structure coefficients but not coefficients of determination, the findings from this study are unique in that the level of predictive power, number of predictors, and sample size were also observed to contribute bias in squared regression structure coefficients.
Faßheber, Nancy; Lamoureux, Nathalie; Friedrichs, Gernot
2015-06-28
Bimolecular reactions of the NCN radical play a key role in modeling prompt-NO formation in hydrocarbon flames. The rate constant of the so-far neglected reaction NCN + H2 has been experimentally determined behind shock waves under pseudo-first order conditions with H2 as the excess component. NCN3 thermal decomposition has been used as a quantitative high temperature source of NCN radicals, which have been sensitively detected by difference UV laser absorption spectroscopy at [small nu, Greek, tilde] = 30383.11 cm(-1). The experiments were performed at two different total densities of ρ≈ 4.1 × 10(-6) mol cm(-3) and ρ≈ 7.4 × 10(-6) mol cm(-3) (corresponding to pressures between p = 324 mbar and p = 1665 mbar) and revealed a pressure independent reaction. In the temperature range 1057 K rate constant can be represented by the Arrhenius expression k/(cm(3) mol(-1) s(-1)) = 4.1 × 10(13) exp(-101 kJ mol(-1)/RT) (Δlog k = ±0.11). The pressure independent reaction as well as the measured activation energy is consistent with a dominating H abstracting reaction channel yielding the products HNCN + H. The reaction NCN + H2 has been implemented together with a set of reactions for subsequent HNCN and HNC chemistry into the detailed GDFkin3.0_NCN mechanism for NOx flame modeling. Two fuel-rich low-pressure CH4/O2/N2-flames served as examples to quantify the impact of the additional chemical pathways. Although the overall NCN consumption by H2 remains small, significant differences have been observed for NO yields with the updated mechanism. A detailed flux analysis revealed that HNC, mainly arising from HCN/HNC isomerization, plays a decisive role and enhances NO formation through a new HNC → HNCO → NH2→ NH → NO pathway.
The Rate Constant for the Reaction H + C2H5 at T = 295 - 150K
Pimentel, Andre S.; Payne, Walter A.; Nesbitt, Fred L.; Cody, Regina J.; Stief, Louis J.
2004-01-01
The reaction between the hydrogen atom and the ethyl (C2H3) radical is predicted by photochemical modeling to be the most important loss process for C2H5 radicals in the atmospheres of Jupiter and Saturn. This reaction is also one of the major sources for the methyl radicals in these atmospheres. These two simplest hydrocarbon radicals are the initial species for the synthesis of larger hydrocarbons. Previous measurements of the rate constant for the H + C2H5 reaction varied by a factor of five at room temperature, and some studies showed a dependence upon temperature while others showed no such dependence. In addition, the previous studies were at higher temperatures and generally higher pressures than that needed for use in planetary atmospheric models. The rate constant for the reaction H + C2H5 has been measured directly at T = 150, 202 and 295 K and at P = 1.0 Torr He for all temperatures and additionally at P = 0.5 and 2.0 Torr He at T = 202 K. The measurements were performed in a discharge - fast flow system. The decay of the C2H5 radical in the presence of excess hydrogen was monitored by low-energy electron impact mass spectrometry under pseudo-first order conditions. H atoms and C2H5 radicals were generated rapidly and simultaneously by the reaction of fluorine atoms with H2 and C2H6, respectively. The total rate constant was found to be temperature and pressure independent. The measured total rate constant at each temperature are: k(sub 1)(295K) = (1.02+/-0.24)x10(exp -10), k(sub 1)(202K) = (1.02+/-0.22)x10(exp -10) and k(sub 1)(150K) = (0.93+/-0.21)x10(exp -10), all in units of cu cm/molecule/s. The total rate constant derived from all the combined measurements is k(sub 1) = (l.03+/-0.17)x10(exp -10) cu cm/molecule/s. At room temperature our results are about a factor of two higher than the recommended rate constant and a factor of three lower than the most recently published study.
Shock tube measurements of the rate constants for seven large alkanes+OH
Badra, Jihad
2015-01-01
Reaction rate constants for seven large alkanes + hydroxyl (OH) radicals were measured behind reflected shock waves using OH laser absorption. The alkanes, n-hexane, 2-methyl-pentane, 3-methyl-pentane, 2,2-dimethyl-butane, 2,3-dimethyl-butane, 2-methyl-heptane, and 4-methyl-heptane, were selected to investigate the rates of site-specific H-abstraction by OH at secondary and tertiary carbons. Hydroxyl radicals were monitored using narrow-line-width ring-dye laser absorption of the R1(5) transition of the OH spectrum near 306.7 nm. The high sensitivity of the diagnostic enabled the use of low reactant concentrations and pseudo-first-order kinetics. Rate constants were measured at temperatures ranging from 880 K to 1440 K and pressures near 1.5 atm. High-temperature measurements of the rate constants for OH + n-hexane and OH + 2,2-dimethyl-butane are in agreement with earlier studies, and the rate constants of the five other alkanes with OH, we believe, are the first direct measurements at combustion temperatures. Using these measurements and the site-specific H-abstraction measurements of Sivaramakrishnan and Michael (2009) [1,2], general expressions for three secondary and two tertiary abstraction rates were determined as follows (the subscripts indicate the number of carbon atoms bonded to the next-nearest-neighbor carbon): S20=1.58×10-11exp(-1550K/T)cm3molecule-1s-1(887-1327K)S30=2.37×10-11exp(-1850K/T)cm3molecule-1s-1(887-1327K)S21=4.5×10-12exp(-793.7K/T)cm3molecule-1s-1(833-1440K)T100=2.85×10-11exp(-1138.3K/T)cm3molecule-1s-1(878-1375K)T101=7.16×10-12exp(-993K/T)cm3molecule-1s-1(883-1362K) © 2014 The Combustion Institute.
A drying coefficient for building materials
DEFF Research Database (Denmark)
Scheffler, Gregor Albrecht; Plagge, Rudolf
2009-01-01
The drying experiment is an important element of the hygrothermal characterisation of building materials. Contrary to other moisture transport experiments as the vapour diffusion and the water absorption test, it is until now not possible to derive a simple coefficient for the drying. However...... characterisation of building materials on which the attempt is based to standardize the drying experiment as well as to derive a single number material coefficient. The drying itself is briefly reviewed and existing approaches are discussed. On this basis, possible definitions are evaluated. Finally, a drying...... coefficient is defined which can be determined based on measured drying data. The correlation of this coefficient with the water absorption and the vapour diffusion coefficient is analyzed and its additional information content is critically challenged. As result, a drying coefficient has been derived...
Memory boundary feedback stabilization for Schrodinger equations with variable coefficients
Directory of Open Access Journals (Sweden)
Abdesselam Nawel
2017-05-01
Full Text Available First we consider the boundary stabilization of Schrodinger equations with constant coefficient memory feedback. This is done by using Riemannian geometry methods and the multipliers technique. Then we explore the stabilization limits of Schrodinger equations whose elliptical part has a variable coefficient. We established the exponential decay of solutions using the multipliers techniques. The introduction of dissipative boundary conditions of memory type allowed us to obtain an accurate estimate on the uniform rate of decay of the energy for Schrodinger equations.
A Simpler Approach to Coefficient Regularized Support Vector Machines Regression
Directory of Open Access Journals (Sweden)
Hongzhi Tong
2014-01-01
Full Text Available We consider a kind of support vector machines regression (SVMR algorithms associated with lq (1≤q<∞ coefficient-based regularization and data-dependent hypothesis space. Compared with former literature, we provide here a simpler convergence analysis for those algorithms. The novelty of our analysis lies in the estimation of the hypothesis error, which is implemented by setting a stepping stone between the coefficient regularized SVMR and the classical SVMR. An explicit learning rate is then derived under very mild conditions.
Comparing linear probability model coefficients across groups
DEFF Research Database (Denmark)
Holm, Anders; Ejrnæs, Mette; Karlson, Kristian Bernt
2015-01-01
This article offers a formal identification analysis of the problem in comparing coefficients from linear probability models between groups. We show that differences in coefficients from these models can result not only from genuine differences in effects, but also from differences in one or more...... of the following three components: outcome truncation, scale parameters and distributional shape of the predictor variable. These results point to limitations in using linear probability model coefficients for group comparisons. We also provide Monte Carlo simulations and real examples to illustrate...... these limitations, and we suggest a restricted approach to using linear probability model coefficients in group comparisons....
Heat transfer coefficient for boiling carbon dioxide
DEFF Research Database (Denmark)
Knudsen, Hans Jørgen Høgaard; Jensen, Per Henrik
1998-01-01
Heat transfer coefficient and pressure drop for boiling carbon dioxide (R744) flowing in a horizontal pipe has been measured. The calculated heat transfer coeeficient has been compared with the Chart correlation of Shah. The Chart Correlation predits too low heat transfer coefficient but the ratio...
A gain-coefficient switched Alexandrite laser
Lee, C. J.; van der Slot, P. J. M.; Boller, K. J.
2013-01-01
We report on a gain-coefficient switched Alexandrite laser. An electro-optic modulator is used to switch between high and low gain states by making use of the polarization dependent gain of Alexandrite. In gain-coefficient switched mode, the laser produces 85 ns pulses with a pulse energy of 240 mJ
Effective distribution coefficients of admixtures in plutonium
Energy Technology Data Exchange (ETDEWEB)
Kristofova, D. (Vitkovicke Zelezarny Klementa Gottwalda, Ostrava (Czechoslovakia)); Kuchar, L.; Wozniakova, B. (Vysoka Skola Banska, Ostrava (Czechoslovakia). Katedra Nezeleznych Kovu a Jaderne Metalurgie)
1980-01-01
The values of effective distribution coefficients of Al, Co, Cr, Fe, Mn, Ni and Si in plutonium were determined on the basis of distributing these admixtures during zone refining of plutonium. The results confirm the theoretical assumptions for distributing admixtures in plutonium which were expressed in periodical dependence of the equilibrium distribution coefficients of admixtures in plutonium on the atomic number of admixture.
Resummed coefficient function for the shape function
Aglietti, U.
2001-01-01
We present a leading evaluation of the resummed coefficient function for the shape function. It is also shown that the coefficient function is short-distance-dominated. Our results allow relating the shape function computed on the lattice to the physical QCD distributions.
Problems with Discontinuous Diffusion/Dispersion Coefficients
Directory of Open Access Journals (Sweden)
Stefano Ferraris
2012-01-01
accurate on smooth solutions and based on a special numerical treatment of the diffusion/dispersion coefficients that makes its application possible also when such coefficients are discontinuous. Numerical experiments confirm the convergence of the numerical approximation and show a good behavior on a set of benchmark problems in two space dimensions.
Prediction of longitudinal dispersion coefficient using multivariate ...
Indian Academy of Sciences (India)
River water quality; artificial neural network; longitudinal dispersion coefficient; pollution transmission. Abstract. In this paper, multivariate adaptive regression splines (MARS) was developed as a novel soft-computingtechnique for predicting longitudinal dispersion coefficient (DL) in rivers. As mentioned in the literature ...
Determination of the surface drag coefficient
DEFF Research Database (Denmark)
Mahrt, L.; Vickers, D.; Sun, J.L.
2001-01-01
This study examines the dependence of the surface drag coefficient on stability, wind speed, mesoscale modulation of the turbulent flux and method of calculation of the drag coefficient. Data sets over grassland, sparse grass, heather and two forest sites are analyzed. For significantly unstable ...
Estimating Runoff Coefficients Using Weather Radars
DEFF Research Database (Denmark)
Ahm, Malte; Thorndahl, Søren Liedtke; Rasmussen, Michael R.
2012-01-01
This paper presents a method for estimating runoff coefficients of urban drainage catchments based on a combination of high resolution weather radar data and insewer flow measurements. By utilising the spatial variability of the precipitation it is possible to estimate the runoff coefficients...
Efficient Estimation in Heteroscedastic Varying Coefficient Models
Directory of Open Access Journals (Sweden)
Chuanhua Wei
2015-07-01
Full Text Available This paper considers statistical inference for the heteroscedastic varying coefficient model. We propose an efficient estimator for coefficient functions that is more efficient than the conventional local-linear estimator. We establish asymptotic normality for the proposed estimator and conduct some simulation to illustrate the performance of the proposed method.
Gini coefficient as a life table function
Directory of Open Access Journals (Sweden)
2003-06-01
Full Text Available This paper presents a toolkit for measuring and analyzing inter-individual inequality in length of life by Gini coefficient. Gini coefficient and four other inequality measures are defined on the length-of-life distribution. Properties of these measures and their empirical testing on mortality data suggest a possibility for different judgements about the direction of changes in the degree of inequality by using different measures. A new computational procedure for the estimation of Gini coefficient from life tables is developed and tested on about four hundred real life tables. The estimates of Gini coefficient are precise enough even for abridged life tables with the final age group of 85+. New formulae have been developed for the decomposition of differences between Gini coefficients by age and cause of death. A new method for decomposition of age-components into effects of mortality and composition of population by group is developed. Temporal changes in the effects of elimination of causes of death on Gini coefficient are analyzed. Numerous empirical examples show: Lorenz curves for Sweden, Russia and Bangladesh in 1995, proportional changes in Gini coefficient and four other measures of inequality for the USA in 1950-1995 and for Russia in 1959-2000. Further shown are errors of estimates of Gini coefficient when computed from various types of mortality data of France, Japan, Sweden and the USA in 1900-95, decompositions of the USA-UK difference in life expectancies and Gini coefficients by age and cause of death in 1997. As well, effects of elimination of major causes of death in the UK in 1951-96 on Gini coefficient, age-specific effects of mortality and educational composition of the Russian population on changes in life expectancy and Gini coefficient between 1979 and 1989. Illustrated as well are variations in life expectancy and Gini coefficient across 32 countries in 1996-1999 and associated changes in life expectancy and Gini
Estimation of the simple correlation coefficient.
Shieh, Gwowen
2010-11-01
This article investigates some unfamiliar properties of the Pearson product-moment correlation coefficient for the estimation of simple correlation coefficient. Although Pearson's r is biased, except for limited situations, and the minimum variance unbiased estimator has been proposed in the literature, researchers routinely employ the sample correlation coefficient in their practical applications, because of its simplicity and popularity. In order to support such practice, this study examines the mean squared errors of r and several prominent formulas. The results reveal specific situations in which the sample correlation coefficient performs better than the unbiased and nearly unbiased estimators, facilitating recommendation of r as an effect size index for the strength of linear association between two variables. In addition, related issues of estimating the squared simple correlation coefficient are also considered.
Energy Technology Data Exchange (ETDEWEB)
Takebe, Shinichi; Abe, Masayoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
2001-03-01
The distribution coefficient is very important parameter for environmental impact assessment on the disposal of radioactive waste arising from research institutes. The literature survey in the country was mainly carried out for the purpose of selecting the reasonable distribution coefficient value on the utilization of this value in the safety evaluation. This report was arranged much informations on the distribution coefficient for inputting to the database for each literature, and was summarized as a literature information data on the distribution coefficient. (author)
Variation in aerodynamic coefficients with altitude
Shahid, Faiza; Hussain, Mukkarum; Baig, Mirza Mehmood; Haq, Ihtram ul
Precise aerodynamics performance prediction plays key role for a flying vehicle to get its mission completed within desired accuracy. Aerodynamic coefficients for same Mach number can be different at different altitude due to difference in Reynolds number. Prediction of these aerodynamics coefficients can be made through experiments, analytical solution or Computational Fluid Dynamics (CFD). Advancements in computational power have generated the concept of using CFD as a virtual Wind Tunnel (WT), hence aerodynamic performance prediction in present study is based upon CFD (numerical test rig). Simulations at different altitudes for a range of Mach numbers with zero angle of attack are performed to predict axial force coefficient behavior with altitude (Reynolds number). Similar simulations for a fixed Mach number '3' and a range of angle of attacks are also carried out to envisage the variation in normal force and pitching moment coefficients with altitude (Reynolds number). Results clearly depict that the axial force coefficient is a function of altitude (Reynolds number) and increase as altitude increases, especially for subsonic region. Variation in axial force coefficient with altitude (Reynolds number) slightly increases for larger values of angle of attacks. Normal force and pitching moment coefficients do not depend on altitude (Reynolds number) at smaller values of angle of attacks but show slight decrease as altitude increases. Present study suggests that variation of normal force and pitching moment coefficients with altitude can be neglected but the variation of axial force coefficient with altitude should be considered for vehicle fly in dense atmosphere. It is recommended to continue this study to more complex configurations for various Mach numbers with side slip and real gas effects.
Variation in aerodynamic coefficients with altitude
Directory of Open Access Journals (Sweden)
Faiza Shahid
Full Text Available Precise aerodynamics performance prediction plays key role for a flying vehicle to get its mission completed within desired accuracy. Aerodynamic coefficients for same Mach number can be different at different altitude due to difference in Reynolds number. Prediction of these aerodynamics coefficients can be made through experiments, analytical solution or Computational Fluid Dynamics (CFD. Advancements in computational power have generated the concept of using CFD as a virtual Wind Tunnel (WT, hence aerodynamic performance prediction in present study is based upon CFD (numerical test rig. Simulations at different altitudes for a range of Mach numbers with zero angle of attack are performed to predict axial force coefficient behavior with altitude (Reynolds number. Similar simulations for a fixed Mach number â3â and a range of angle of attacks are also carried out to envisage the variation in normal force and pitching moment coefficients with altitude (Reynolds number. Results clearly depict that the axial force coefficient is a function of altitude (Reynolds number and increase as altitude increases, especially for subsonic region. Variation in axial force coefficient with altitude (Reynolds number slightly increases for larger values of angle of attacks. Normal force and pitching moment coefficients do not depend on altitude (Reynolds number at smaller values of angle of attacks but show slight decrease as altitude increases. Present study suggests that variation of normal force and pitching moment coefficients with altitude can be neglected but the variation of axial force coefficient with altitude should be considered for vehicle fly in dense atmosphere. It is recommended to continue this study to more complex configurations for various Mach numbers with side slip and real gas effects. Keywords: Mach number, Reynolds number, Blunt body, Altitude effect, Angle of attacks
Photonic crystal fibres with large nonlinear coefficients
DEFF Research Database (Denmark)
Lægsgaard, Jesper; Bjarklev, Anders Overgaard
2004-01-01
We investigate the upper limits on the nonlinear coefficients obtainable in various silica-based photonic crystal fibre designs. For a fixed wavelength, the highest nonlinearities are found to occur when a substantial part of the field energy resides in air. The case of a silica strand in air...... is found to constitute an upper bound on the nonlinear coefficients obtained; however, all the designs investigated allow nonlinear coefficients larger than 50% of this limiting value. On the other hand, the choice of fibre design is found to have a significant influence on the dispersion properties....
Soccer ball lift coefficients via trajectory analysis
Energy Technology Data Exchange (ETDEWEB)
Goff, John Eric [Department of Physics, Lynchburg College, Lynchburg, VA 24501 (United States); Carre, Matt J, E-mail: goff@lynchburg.ed [Department of Mechanical Engineering, University of Sheffield, Sheffield S1 3JD (United Kingdom)
2010-07-15
We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin parameters that have not been obtained by today's wind tunnels. Our trajectory analysis technique is not only a valuable tool for professional sports scientists, it is also accessible to students with a background in undergraduate-level classical mechanics.
Validation of the Korean coefficient for the modification of diet in renal disease study equation
Oh, Yun Jung; Cha, Ran-hui; Lee, Seung Hwan; Yu, Kyung Sang; Kim, Satbyul Estella; Kim, Ho; Kim, Yon Su
2016-01-01
Background/Aims: Race and ethnicity are important determinants when estimatingglomerular filtration rate (GFR). The Korean coefficients for the isotope dilution mass spectrometry (IDMS) Modification of Diet in Renal Disease (MDRD) Study equations were developed in 2010. However, the coefficients have not been validated. The aim of this study was to validate the performance of the Korean coefficients for the IDMS MDRD Study equations. Methods: Equation development and validation were performed...
DEFF Research Database (Denmark)
Haedersdal, C; Pedersen, F H; Svendsen, J H
1992-01-01
after the myocardial infarction. A significant correlation (Spearman's correlation coefficient rs, p less than 0.05) was found between LVEF at rest and the following variables assessed at exercise test: 1) the heart rate at rest, 2) rise in heart rate, 3) ratio between maximal heart rate and heart rate...... at rest, 4) rise in systolic blood pressure, 5) rate pressure product at rest, 6) rise in rate pressure product, 7) ratio (rHR) between maximal rate pressure product and rate pressure product at rest, 8) total exercise time. The heart rate was corrected for effects caused by age (heart index (HR...
Recursive Harmonic Numbers and Binomial Coefficients
Maw, Aung Phone; Kyaw, Aung
2017-01-01
We define recursive harmonic numbers as a generalization of harmonic numbers. The table of recursive harmonic numbers, which is like Pascal's triangle, is constructed. A formula for recursive harmonic numbers containing binomial coefficients is also presented.
Friction coefficient dependence on electrostatic tribocharging
Burgo, Thiago A. L.; Silva, Cristiane A.; Balestrin, Lia B. S.; Galembeck, Fernando
2013-01-01
Friction between dielectric surfaces produces patterns of fixed, stable electric charges that in turn contribute electrostatic components to surface interactions between the contacting solids. The literature presents a wealth of information on the electronic contributions to friction in metals and semiconductors but the effect of triboelectricity on friction coefficients of dielectrics is as yet poorly defined and understood. In this work, friction coefficients were measured on tribocharged polytetrafluoroethylene (PTFE), using three different techniques. As a result, friction coefficients at the macro- and nanoscales increase many-fold when PTFE surfaces are tribocharged, but this effect is eliminated by silanization of glass spheres rolling on PTFE. In conclusion, tribocharging may supersede all other contributions to macro- and nanoscale friction coefficients in PTFE and probably in other insulating polymers. PMID:23934227
Modeling Ballasted Tracks for Runoff Coefficient C
2012-08-01
In this study, the Regional Transportation District (RTD)s light rail tracks were modeled to determine the Rational Method : runoff coefficient, C, values corresponding to ballasted tracks. To accomplish this, a laboratory study utilizing a : rain...
Measuring Resource Inequality: The Gini Coefficient
Directory of Open Access Journals (Sweden)
Michael T. Catalano
2009-07-01
Full Text Available This paper stems from work done by the authors at the Mathematics for Social Justice Workshop held in June of 2007 at Middlebury College. We provide a description of the Gini coefficient and some discussion of how it can be used to promote quantitative literacy skills in mathematics courses. The Gini Coefficient was introduced in 1921 by Italian statistician Corrado Gini as a measure of inequality. It is defined as twice the area between two curves. One, the Lorenz curve for a given population with respect to a given resource, represents the cumulative percentage of the resource as a function of the cumulative percentage of the population that shares that percentage of the resource. The second curve is the line y = x which is the Lorenz curve for a population which shares the resource equally. The Gini coefficient can be interpreted as the percentage of inequality represented in the population with respect to the given resource. We propose that the Gini coefficient can be used to enhance students’ understanding of calculus concepts and provide practice for students in using both calculus and quantitative literacy skills. Our examples are based mainly on distribution of energy resources using publicly available data from the Energy Information Agency of the United States Government. For energy resources within the United States, we find that by household, the Gini coefficient is 0.346, while using the 51 data points represented by the states and Washington D.C., the Gini coefficient is 0.158. When we consider the countries of the world as a population of 210, the Gini coefficient is 0.670. We close with ideas for questions which can be posed to students and discussion of the experiences two other mathematics instructors have had incorporating the Gini coefficient into pre-calculus-level mathematics classes.
The Automation of Sound Absorption Coefficient Measurement
Hermawanto, Denny; Suwandi, Achmad
2006-01-01
By manual method, the sound absorption coefficient measurement should be done by utilizing many type of equipment such as: measuring amplifier, level recorder, band-pass filter, protactor, etc. However it caused inefficient and need longer time in processing measurement data, therefore the automation system of sound absorption coefficient has been realized. An acoustical real time analyzer type B&K 2144 has been used to record the decay of sound pressure level, thus the processing data is dri...
Creating comparability among reliability coefficients: the case of Cronbach alpha and Cohen kappa.
Becker, G
2000-12-01
Cronbach alpha and Cohen kappa were compared and found to differ along two major facets. A fourfold classification system based on these facets clarifies the double contrast and produces a common metric allowing direct comparability. A new estimator, coefficient beta, is introduced in the process and is presented as a complement to coefficient alpha in estimating the psychometric properties of test scores and ratings.
Identifying node spreading influence for tunable clustering coefficient networks
Wang, Zi-Yi; Han, Jing-Ti; Zhao, Jun
2017-11-01
Identifying the node spreading influence is of significant for information and innovation diffusion. In this paper, we argue that the spreading process should be taken into account for identifying the node spreading influence and investigate the effect of the network structure, measured by the clustering coefficient, on the performance of spreading dynamics. Firstly, we generate a series of networks with tunable clustering coefficients. Then, taking into account the spreading process, we explore the performances among the Dynamics-sensitive (DS) index and the degree, between, closeness, eigenvector indices. Comparing with the Susceptible-Infective-Removed (SIR) model, the extensive results show that, for different spreading time steps and clustering coefficients, the DS centrality outperforms the performance, τ > 0 . 97, of degree, betweenness, closeness and eigenvector measures. Moreover, the accuracy of closeness and eigenvector centrality is similar and conducts better in networks with larger spreading rate β = 0 . 20 , τ > 0 . 93. As the clustering coefficient increases, all the performances decrease but DS centrality with least percent of 1.16 at most under β = 0 . 10, and Closeness with the largest percent of 9.75 under β = 0 . 05. This work suggests that the spreading influence not only depends on the network structure, more importantly, the spreading dynamic process also affect the performance greatly, which should be taken into account simultaneously.
Modeling ozone mass transfer in reclaimed wastewater.
Jiang, Pan; Chen, Hsiao-Ting; Babcock, Roger W; Stenstrom, Michael K
2009-01-01
Ozone mass transfer in reclaimed water was evaluated at pilot scale to determine mass-transfer characteristics and reaction kinetics and to assess the use of oxygen as a surrogate to measure this process. Tests were conducted in a 40-L/min pilot plant over a 3-year period. Nonsteady-state mass-transfer analyses for both oxygen and ozone were performed for superficial gas flow rates ranging from 0.13m/min to 0.40m/min. The psi factor, which is the ratio of volumetric mass-transfer coefficients of ozone to oxygen, was determined. The decrease in oxygen transfer rate caused by contaminants in reclaimed water was only 10 to 15% compared to tap water. A simple mathematical model was developed to describe transfer rate and steady state ozone concentration. Ozone decay was modeled accurately as a pseudo first-order reaction between ozone and ozone-demanding materials.
Tracer diffusion coefficients in a sheared inelastic Maxwell gas
Garzó, Vicente; Trizac, Emmanuel
2016-07-01
We study the transport properties of an impurity in a sheared granular gas, in the framework of the Boltzmann equation for inelastic Maxwell models. We investigate here the impact of a nonequilibrium phase transition found in such systems, where the tracer species carries a finite fraction of the total kinetic energy (ordered phase). To this end, the diffusion coefficients are first obtained for a granular binary mixture in spatially inhomogeneous states close to the simple shear flow. In this situation, the set of coupled Boltzmann equations are solved by means of a Chapman-Enskog-like expansion around the (local) shear flow distributions for each species, thereby retaining all the hydrodynamic orders in the shear rate a. Due to the anisotropy induced by the shear flow, three tensorial quantities D ij , D p,ij , and D T,ij are required to describe the mass transport process instead of the conventional scalar coefficients. These tensors are given in terms of the solutions of a set of coupled algebraic equations, which can be exactly solved as functions of the shear rate a, the coefficients of restitution {αsr} and the parameters of the mixture (masses and composition). Once the forms of D ij , D p,ij , and D T,ij are obtained for arbitrary mole fraction {{x}1}={{n}1}/≤ft({{n}1}+{{n}2}\\right) (where n r is the number density of species r), the tracer limit ({{x}1}\\to 0 ) is carefully considered for the above three diffusion tensors. Explicit forms for these coefficients are derived showing that their shear rate dependence is significantly affected by the order-disorder transition.
Recommended coefficients for sorption of iodine, silver, and cesium on graphite dust particles
Energy Technology Data Exchange (ETDEWEB)
Stempniewicz, Marek M., E-mail: stempniewicz@nrg.eu [NRG Arnhem, Utrechtseweg 310, PO Box 9034, 6800 ES Arnhem (Netherlands); Goede, Pieter, E-mail: goedep@gmail.com [PBMR, 1279 Mike Crawford Avenue, Centurion 0046 (South Africa)
2016-09-15
Highlights: • Sorption of fission product vapors on dust particles—important safety aspect of HTRs. • Sorption coefficients represent well the AVR data for cesium, iodine, and silver on dust. • Sorption rates higher at low temperatures and lower at high temperatures. • A set of recommended sorption coefficient for computer code users. - Abstract: This paper describes the work performed to find the sorption coefficients that represent well the available experimental data for cesium, iodine, and silver on dust particles. The purpose of this work is to generate a set of coefficients that may be recommended for computer code users. The following data was correlated: • I-131 on AVR dust. • Ag-110m on AVR dust. • Cs-134 and Cs-137 on AVR dust. The results are summarized as follows: • The available data can be correlated. The data scatter is about 4 orders of magnitude. Therefore the coefficients of the Langmuir isotherms vary by 4 orders of magnitude. • Sorption rates are higher at low temperatures and lower at high temperatures. This tendency has been observed in the data compiled at Oak Ridge. It is therefore surmised that the highest value of the sorption coefficients are appropriate for the low temperatures and the lowest value of the sorption coefficients are appropriate for the high temperatures. The recommended sorption coefficients are presented in this paper. • The present set of coefficients is very rough and should be a subject for future verification against experimental data.
Temporal correlation coefficient for directed networks.
Büttner, Kathrin; Salau, Jennifer; Krieter, Joachim
2016-01-01
Previous studies dealing with network theory focused mainly on the static aggregation of edges over specific time window lengths. Thus, most of the dynamic information gets lost. To assess the quality of such a static aggregation the temporal correlation coefficient can be calculated. It measures the overall possibility for an edge to persist between two consecutive snapshots. Up to now, this measure is only defined for undirected networks. Therefore, we introduce the adaption of the temporal correlation coefficient to directed networks. This new methodology enables the distinction between ingoing and outgoing edges. Besides a small example network presenting the single calculation steps, we also calculated the proposed measurements for a real pig trade network to emphasize the importance of considering the edge direction. The farm types at the beginning of the pork supply chain showed clearly higher values for the outgoing temporal correlation coefficient compared to the farm types at the end of the pork supply chain. These farm types showed higher values for the ingoing temporal correlation coefficient. The temporal correlation coefficient is a valuable tool to understand the structural dynamics of these systems, as it assesses the consistency of the edge configuration. The adaption of this measure for directed networks may help to preserve meaningful additional information about the investigated network that might get lost if the edge directions are ignored.
Experimental methodology for obtaining sound absorption coefficients
Directory of Open Access Journals (Sweden)
Carlos A. Macía M
2011-07-01
Full Text Available Objective: the authors propose a new methodology for estimating sound absorption coefficients using genetic algorithms. Methodology: sound waves are generated and conducted along a rectangular silencer. The waves are then attenuated by the absorbing material covering the silencer’s walls. The attenuated sound pressure level is used in a genetic algorithm-based search to find the parameters of the proposed attenuation expressions that include geometric factors, the wavelength and the absorption coefficient. Results: a variety of adjusted mathematical models were found that make it possible to estimate the absorption coefficients based on the characteristics of a rectangular silencer used for measuring the attenuation of the noise that passes through it. Conclusions: this methodology makes it possible to obtain the absorption coefficients of new materials in a cheap and simple manner. Although these coefficients might be slightly different from those obtained through other methodologies, they provide solutions within the engineering accuracy ranges that are used for designing noise control systems.
Directory of Open Access Journals (Sweden)
Xiaolu Li
2016-01-01
Full Text Available As fuel temperature increases, both its viscosity and surface tension decrease, and this is helpful to improve fuel atomization and then better combustion and emission performances of engine. Based on the self-regulated temperature property of positive temperature coefficient material, this article used a positive temperature coefficient material as electric heating element to heat diesel fuel in fuel pipeline of diesel engine. A kind of BaTiO3-based positive temperature coefficient material, with the Curie temperature of 230°C and rated voltage of 24 V, was developed, and its micrograph and element compositions were also analyzed. By the fuel pipeline wrapped in six positive temperature coefficient ceramics, its resistivity–temperature and heating characteristics were tested on a fuel pump bench. The experiments showed that in this installation, the surface temperature of six positive temperature coefficient ceramics rose to the equilibrium temperature only for 100 s at rated voltage. In rated power supply for six positive temperature coefficient ceramics, the temperature of injection fuel improved for 21°C–27°C within 100 s, and then could keep constant. Using positive temperature coefficient material to heat diesel in fuel pipeline of diesel engine, the injection mass per cycle had little change, approximately 0.3%/°C. This study provides a beneficial reference for improving atomization of high-viscosity liquids by employing positive temperature coefficient material without any control methods.
Nozzle geometry variations on the discharge coefficient
Directory of Open Access Journals (Sweden)
M.M.A. Alam
2016-03-01
Full Text Available Numerical works have been conducted to investigate the effect of nozzle geometries on the discharge coefficient. Several contoured converging nozzles with finite radius of curvatures, conically converging nozzles and conical divergent orifices have been employed in this investigation. Each nozzle and orifice has a nominal exit diameter of 12.7×10−3 m. A 3rd order MUSCL finite volume method of ANSYS Fluent 13.0 was used to solve the Reynolds-averaged Navier–Stokes equations in simulating turbulent flows through various nozzle inlet geometries. The numerical model was validated through comparison between the numerical results and experimental data. The results obtained show that the nozzle geometry has pronounced effect on the sonic lines and discharge coefficients. The coefficient of discharge was found differ from unity due to the non-uniformity of flow parameters at the nozzle exit and the presence of boundary layer as well.
Sorption of basic dyes onto granulated pillared clays: thermodynamic and kinetic studies.
Cheknane, B; Zermane, F; Baudu, M; Bouras, O; Basly, J P
2012-09-01
Effect of the granulation process onto the thermodynamic and kinetic sorption parameters of two basic dyes (Basic Yellow 28-BY 28 and Basic Green 4-BG 4) was evaluated in the present work. The charge surface properties of the surfactant-modified aluminium-pillared clay (CTAB-Al-Mont-PILC) particles were not modified, and the isoelectric point remains constant after high shear wet granulation. The Gibbs free energy of both BY 28 and BG 4 sorption was negative and decreased with the granulation; the endothermic nature of the sorption process was confirmed by the positive values of ΔH°. Adsorption kinetics of the two dyes, studied at pH 6 and 150 mg L(-1), follow the pseudo-first order kinetic model with observed rate constants of 2.5-4.2×10(-2) min(-1). The intraparticle diffusion model, proposed by Weber and Morris, was applied, and the intraparticle plots revealed three distinct sections representing external mass transfer, intraparticle diffusion and adsorption/desorption equilibrium. Diffusion coefficients, calculated from the Boyd kinetic equation, increased with the granulation and the particle size. Pseudo-first order kinetic constants, intraparticle diffusion rate constants and diffusion coefficients were determined for two other initial concentrations (50 and 100 mg L(-1)) and include in a statistical study to evaluate the impact of granulation and initial concentration on the kinetic parameters. Kruskal-Wallis tests, Spearman's rank order correlation and factor analysis revealed a correlation between (i) the diffusion coefficients and granulation, and between (ii) the intraparticle diffusion rate constants and initial concentration. Copyright © 2012 Elsevier Inc. All rights reserved.
Control in the coefficients with variational crimes
DEFF Research Database (Denmark)
Evgrafov, Anton; Marhadi, Kun Saptohartyadi
2012-01-01
to “volumetric” Lebesgue norm, changes of the coefficients is generally speaking not continuous. We utilize the lifting formulation of the discontinuous Galerkin method to deal with this issue.Our main result is that limit points of sequences of designs verifying discrete versions of stationarity can also......We study convergence of discontinuous Galerkin-type discretizations of the problems of control in the coefficients of uniformly elliptic partial differential equations (PDEs). As a model problem we use that of the optimal design of thin (Kirchhoff) plates, where the governing equations...
Shear viscosity coefficient of liquid lanthanides
Energy Technology Data Exchange (ETDEWEB)
Patel, H. P., E-mail: patel.harshal2@gmail.com; Thakor, P. B., E-mail: pbthakore@rediffmail.com; Prajapati, A. V., E-mail: anand0prajapati@gmail.com [Department of Physics, Veer Narmad South Gujarat University, Surat 395 007, Gujarat (India); Sonvane, Y. A., E-mail: yas@ashd.svnit.ac.in [Department of Applied Physics, S. V. National Institute of Technology, Surat 395 007, Gujarat (India)
2015-05-15
Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides.
Sensitivity study of control rod depletion coefficients
Blomberg, Joel
2015-01-01
This report investigates the sensitivity of the control rod depletion coefficients, Sg, to different input parameters and how this affects the accumulated 10B depletion, β. Currently the coefficients are generated with PHOENIX4, but the geometries can be more accurately simulated in McScram. McScram is used to calculate Control Rod Worth, which in turn is used to calculate Nuclear End Of Life, and Sg cannot be generated in the current version of McScram. Therefore, it is also analyzed whether...
PRACTICAL METHOD FOR DETERMINING THE DYNAMIC COEFFICIENT
Directory of Open Access Journals (Sweden)
Minodora PASĂRE
2017-05-01
Full Text Available In practice collision is between two bodies, one which is carried kicking and moving, and another is hit and is at rest. There were obtained by shock request. The number of times the dynamic coefficient are greater effects (stress and strain caused by dynamic loading, as compared with the same load applied to the shock and called static load with the dynamic load equivalent studied. Dynamic coefficient is determined basically by measuring static and dynamic arrows that appear at a requested beam weighing suddenly falls from a height known. Sizes arrows static and dynamic compared to what theoretically obtained by calculations.
Effective stress coefficient for uniaxial strain condition
DEFF Research Database (Denmark)
Alam, Mohammad Monzurul; Fabricius, Ida Lykke
2012-01-01
The effective stress coefficient, introduced by Biot, is used for predicting effective stress or pore pressure in the subsurface. It is not a constant value. It is different for different types of sediment and it is stress dependent. We used a model, based on contact between the grains to describe...... one dimensional rock mechanical deformation. We further investigated the effect of boundary condition on the stress dependency of effective stress coefficient and discussed its application in reservoir study. As stress field in the reservoirs are most unlikely to be hydrostatic, effective stress...... determined under uniaxial strain condition will be more relevant in reservoir studies....
Effective stress coefficient for uniaxial strain condition
DEFF Research Database (Denmark)
Alam, M.M.; Fabricius, I.L.
2012-01-01
The effective stress coefficient, introduced by Biot, is used for predicting effective stress or pore pressure in the subsurface. It is not a constant value. It is different for different types of sediment and it is stress dependent. We used a model, based on contact between the grains to describe...... one dimensional rock mechanical deformation. We further investigated the effect of boundary condition on the stress dependency of effective stress coefficient and discussed its application in reservoir study. As stress field in the reservoirs are most unlikely to be hydrostatic, effective stress...... determined under uniaxial strain condition will be more relevant in reservoir studies. Copyright 2012 ARMA, American Rock Mechanics Association....
Normal-stress coefficients and rod climbing in colloidal dispersions
Farage, T. F. F.; Reinhardt, J.; Brader, J. M.
2013-10-01
We calculate tractable microscopic expressions for the low-shear normal-stress coefficients of colloidal dispersions. Although restricted to the low rate regime, the presented formulas are valid for all volume fractions below the glass transition and for any interaction potential. Numerical results are presented for a system of colloids interacting via a hard-core attractive Yukawa potential, for which we explore the interplay between attraction strength and volume fraction. We show that the normal-stress coefficients exhibit nontrivial features close to the critical point and at high volume fractions in the vicinity of the reentrant glass transition. Finally, we exploit our formulas to make predictions about rod-climbing effects in attractive colloidal dispersions.
Energy Technology Data Exchange (ETDEWEB)
Guenay, Ahmet [Chairmenship of Environmental Protection Department, Antalya Great Municipality, Antalya (Turkey); Arslankaya, Ertan [Department of Environmental Engineering, Yildiz Technical University, 34349 Yildiz, Istanbul (Turkey); Tosun, Ismail [Department of Environmental Engineering, Suleyman Demirel University, 32260 Isparta (Turkey)]. E-mail: ismailt@mmf.sdu.edu.tr
2007-07-19
Adsorption of Pb(II) ions from aqueous solution onto clinoptilolite has been investigated to evaluate the effects of contact time, initial concentration and pretreatment of clinoptilolite on the removal of Pb(II). Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Temkin and Dubinin-Radushkevich), four three-parameter (Redlich-Peterson, Sips, Toth and Khan) isotherm models, and kinetic models including the pseudo-first order, the pseudo-second order and Elovich equations using nonlinear regression technique. Of the two-parameter isotherms, Temkin isotherm was the best to describe the experimental data. Three-parameter isotherms have higher regression coefficients (>0.99) and lower relative errors (<5%) than two-parameter isotherms. The best fitting isotherm was the Sips followed by Toth and Redlich-Peterson isotherm equations. Maximum experimental adsorption capacity was found to be 80.933 and 122.400 mg/g for raw and pretreated clinoptilolite, respectively, for the initial concentration of 400 mg/L. Kinetic parameters; rate constants, equilibrium adsorption capacities and related coefficients for each kinetic model were evaluated according to relative errors and correlation coefficients. Results of the kinetic studies show that best fitted kinetic models are obtained to be in the order: the pseudo-first order, the pseudo-second order and Elovich equations. Using the thermodynamic equilibrium coefficients, Gibbs free energy of the Pb(II)-clinoptilolite system was evaluated. The negative value of change in Gibbs free energy ({delta}G{sup o}) indicates that adsorption of Pb(II) on clinoptilolite is spontaneous.
The Evolution of Pearson's Correlation Coefficient
Kader, Gary D.; Franklin, Christine A.
2008-01-01
This article describes an activity for developing the notion of association between two quantitative variables. By exploring a collection of scatter plots, the authors propose a nonstandard "intuitive" measure of association; and by examining properties of this measure, they develop the more standard measure, Pearson's Correlation Coefficient. The…
UNIPORM WAD COEFFICIENTS FOR BEAMS IN REINFORCED ...
African Journals Online (AJOL)
derived coefficients with ela.Jtic analysis of single span beam.s, the total panel loading with the total load the four .tupporting beams carry. Under these three aspects investigation has been made on the recommendation of the new Building Code Standards. {11) which i.t to be launched in the near future. INTRODUCTION.
Confidence Intervals for Cronbach's Coefficient Alpha Values
A.J. Koning (Alex); Ph.H.B.F. Franses (Philip Hans)
2003-01-01
textabstractCoefficient Alpha, which is widely used in empirical research, estimates the reliability of a test consisting of parallel items. In practice it is difficult to compare values of alpha across studies as it depends on the number of items used. In this paper we provide a simple solution,
Calculation of aberration coefficients by ray tracing.
Oral, M; Lencová, B
2009-10-01
In this paper we present an approach for the calculation of aberration coefficients using accurate ray tracing. For a given optical system, intersections of a large number of trajectories with a given plane are computed. In the Gaussian image plane the imaging with the selected optical system can be described by paraxial and aberration coefficients (geometric and chromatic) that can be calculated by least-squares fitting of the analytical model on the computed trajectory positions. An advantage of such a way of computing the aberration coefficients is that, in comparison with the aberration integrals and the differential algebra method, it is relatively easy to use and its complexity stays almost constant with the growing complexity of the optical system. This paper shows a tested procedure for choosing proper initial conditions and computing the coefficients of the fifth-order geometrical and third-order, first-degree chromatic aberrations by ray tracing on an example of a weak electrostatic lens. The results are compared with the values for the same lens from a paper Liu [Ultramicroscopy 106 (2006) 220-232].
Prediction of longitudinal dispersion coefficient using multivariate ...
Indian Academy of Sciences (India)
In this paper, multivariate adaptive regression splines (MARS) was developed as a novel soft-computing technique for predicting longitudinal dispersion coefficient (DL) in rivers. As mentioned in the literature, experimental dataset related to DL was collected and used for preparing MARS model. Results of MARS.
Pressure-viscosity coefficient of biobased lubricants
Film thickness is an important tribological property that is dependent on the combined effect of lubricant properties, material property of friction surfaces, and the operating conditions of the tribological process. Pressure-viscosity coefficient (PVC) is one of the lubricant properties that influe...
Tracking time-varying coefficient-functions
DEFF Research Database (Denmark)
Nielsen, Henrik Aalborg; Nielsen, Torben Skov; Joensen, Alfred K.
2000-01-01
is a combination of recursive least squares with exponential forgetting and local polynomial regression. It is argued, that it is appropriate to let the forgetting factor vary with the value of the external signal which is the argument of the coefficient functions. Some of the key properties of the modified method...... are studied by simulation...
UNIPORM WAD COEFFICIENTS FOR BEAMS IN REINFORCED ...
African Journals Online (AJOL)
problems. It has also been tried to verify some of the results by comparing the recommended side ratio of the slab loadings with the yield line analysis of slabs, the derived coefficients with ela.Jtic analysis of single span beam.s, the total panel loading with the total load the four .tupporting beams carry. Under these three.
Second virial coefficients of dipolar hard spheres
Philipse, A.P.; Kuipers, B.W.M.
2010-01-01
An asymptotic formula is reported for the second virial coefficient B2 of a dipolar hard-sphere (DHS) fluid, in zero external field, for strongly coupled dipolar interactions. This simple formula, together with the one for the weak-coupling B2, provides an accurate prediction of the second virial
Determination of the convective heat transfer coefficient
Spierings, D.; Bosman, F.; Peters, T.; Plasschaert, F.
The value of the convective heat transfer coefficient (htc) is determined under different loading conditions by using a computer aided method. The thermal load has been applied mathematically as well as experimentally to the coronal surface of an axisymmetric tooth model. To verify the assumptions
Molar extinction coefficients of some fatty acids
DEFF Research Database (Denmark)
Sandhu, G.K.; Singh, K.; Lark, B.S.
2002-01-01
) and stearic acid (C18H36O2), has been measured at the photon energies 81, 356, 511, 662, 1173 and 1332 keV. Experimental values for the molar extinction coefficient, the effective atomic number and the electron density have been derived and compared with theoretical calculations. There is good agreement...
Regularity of the interband light absorption coefficient
Indian Academy of Sciences (India)
Light absorption coefficient; density of states; random operators. 1. ... The operators H. ± ω may be unbounded. However, the finite volume operators H ,ω are symmetric finite-dimensional matrices when is a finite set, so their ...... [1] Atoyan M S, Kazaryan E M and Sarkisyan H A, Interband light absorption in parabolic.
Bayesian Meta-Analysis of Coefficient Alpha
Brannick, Michael T.; Zhang, Nanhua
2013-01-01
The current paper describes and illustrates a Bayesian approach to the meta-analysis of coefficient alpha. Alpha is the most commonly used estimate of the reliability or consistency (freedom from measurement error) for educational and psychological measures. The conventional approach to meta-analysis uses inverse variance weights to combine…
(Hordeum Vulgare) Crop Coefficient and Comparative Assessment ...
African Journals Online (AJOL)
Bheema
evapotranspiration, to estimate barley crop coefficient (kc), and to evaluate the water productivity taking into ... corresponding economic water productivity for tomato and onion were 87 – 89% and 81 – 82% higher than that of ... areas where water scarcity is critical problem and irrigation is a necessity for crop production.
Coefficient Omega Bootstrap Confidence Intervals: Nonnormal Distributions
Padilla, Miguel A.; Divers, Jasmin
2013-01-01
The performance of the normal theory bootstrap (NTB), the percentile bootstrap (PB), and the bias-corrected and accelerated (BCa) bootstrap confidence intervals (CIs) for coefficient omega was assessed through a Monte Carlo simulation under conditions not previously investigated. Of particular interests were nonnormal Likert-type and binary items.…
Vertical diffuse attenuation coefficient (Kd) based optical ...
Indian Academy of Sciences (India)
R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22
The optical classification of the different water types provides vital input for studies related to primary productivity, water clarity and determination of euphotic depth. Image data of the IRS-. P3 MOS-B, for Path 90 of 27th February, 1998 was used for deriving vertical diffuse attenuation coefficient (Kd) and an optical ...
Cohomology with coefficients for operadic coalgebras
Indian Academy of Sciences (India)
coefficients, there should be a cohomology theory for the P-coalgebra .... For any positive integer n, n will denote the group of permutations on n elements. For σ ∈ n, ϵ(σ) .... V ⊗ M to M ⊗ V . Think of η (or ητ ) as the left (or right) V -coaction on M.
Infinite matrices, wavelet coefficients and frames
Directory of Open Access Journals (Sweden)
N. A. Sheikh
2004-01-01
Full Text Available We study the action of A on f∈L2(ℝ and on its wavelet coefficients, where A=(almjklmjk is a double infinite matrix. We find the frame condition for A-transform of f∈L2(ℝ whose wavelet series expansion is known.
Mohammed, Ahmed; Zeleke, Aklilu
2015-01-01
We introduce a class of second-order ordinary differential equations (ODEs) with variable coefficients whose closed-form solutions can be obtained by the same method used to solve ODEs with constant coefficients. General solutions for the homogeneous case are discussed.
Analytical model of reactive transport processes with spatially variable coefficients.
Simpson, Matthew J; Morrow, Liam C
2015-05-01
Analytical solutions of partial differential equation (PDE) models describing reactive transport phenomena in saturated porous media are often used as screening tools to provide insight into contaminant fate and transport processes. While many practical modelling scenarios involve spatially variable coefficients, such as spatially variable flow velocity, v(x), or spatially variable decay rate, k(x), most analytical models deal with constant coefficients. Here we present a framework for constructing exact solutions of PDE models of reactive transport. Our approach is relevant for advection-dominant problems, and is based on a regular perturbation technique. We present a description of the solution technique for a range of one-dimensional scenarios involving constant and variable coefficients, and we show that the solutions compare well with numerical approximations. Our general approach applies to a range of initial conditions and various forms of v(x) and k(x). Instead of simply documenting specific solutions for particular cases, we present a symbolic worksheet, as supplementary material, which enables the solution to be evaluated for different choices of the initial condition, v(x) and k(x). We also discuss how the technique generalizes to apply to models of coupled multispecies reactive transport as well as higher dimensional problems.
Saponification reaction system: a detailed mass transfer coefficient determination.
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.
A von Bertalanffy growth model with a seasonally varying coefficient
Cloern, James E.; Nichols, Frederic H.
1978-01-01
The von Bertalanffy model of body growth is inappropriate for organisms whose growth is restricted to a seasonal period because it assumes that growth rate is invariant with time. Incorporation of a time-varying coefficient significantly improves the capability of the von Bertalanffy equation to describe changing body size of both the bivalve mollusc Macoma balthicain San Francisco Bay and the flathead sole, Hippoglossoides elassodon, in Washington state. This simple modification of the von Bertalanffy model should offer improved predictions of body growth for a variety of other aquatic animals.
Guttmann, Anthony J.
2016-10-01
Given the first 20-100 coefficients of a typical generating function of the type that arises in many problems of statistical mechanics or enumerative combinatorics, we show that the method of differential approximants performs surprisingly well in predicting (approximately) subsequent coefficients. These can then be used by the ratio method to obtain improved estimates of critical parameters. In favourable cases, given only the first 20 coefficients, the next 100 coefficients are predicted with useful accuracy. More surprisingly, this is also the case when the method of differential approximants does not do a useful job in estimating the critical parameters, such as those cases in which one has stretched exponential asymptotic behaviour. Nevertheless, the coefficients are predicted with surprising accuracy. As one consequence, significant computer time can be saved in enumeration problems where several runs would normally be made, modulo different primes, and the coefficients constructed from their values modulo different primes. Another is in the checking of newly calculated coefficients. We believe that this concept of approximate series extension opens up a whole new chapter in the method of series analysis.
Energy Technology Data Exchange (ETDEWEB)
Pawel, David [U.S. Environmental Protection Agency; Leggett, Richard Wayne [ORNL; Eckerman, Keith F [ORNL; Nelson, Christopher [U.S. Environmental Protection Agency
2007-01-01
Federal Guidance Report No. 13 (FGR 13) provides risk coefficients for estimation of the risk of cancer due to low-level exposure to each of more than 800 radionuclides. Uncertainties in risk coefficients were quantified in FGR 13 for 33 cases (exposure to each of 11 radionuclides by each of three exposure pathways) on the basis of sensitivity analyses in which various combinations of plausible biokinetic, dosimetric, and radiation risk models were used to generate alternative risk coefficients. The present report updates the uncertainty analysis in FGR 13 for the cases of inhalation and ingestion of radionuclides and expands the analysis to all radionuclides addressed in that report. The analysis indicates that most risk coefficients for inhalation or ingestion of radionuclides are determined within a factor of 5 or less by current information. That is, application of alternate plausible biokinetic and dosimetric models and radiation risk models (based on the linear, no-threshold hypothesis with an adjustment for the dose and dose rate effectiveness factor) is unlikely to change these coefficients by more than a factor of 5. In this analysis the assessed uncertainty in the radiation risk model was found to be the main determinant of the uncertainty category for most risk coefficients, but conclusions concerning the relative contributions of risk and dose models to the total uncertainty in a risk coefficient may depend strongly on the method of assessing uncertainties in the risk model.
Meromorphic univalent function with negative coefficient
Directory of Open Access Journals (Sweden)
A. Dernek
1994-01-01
Full Text Available Let Mn be the classes of regular functions f(z=z−1+a0+a1z+… defined in the annulus 00, (n∈ℕ0, where I0f(z=f(z, If(z=(z−1−z(z−1−2∗f(z, Inf(z=I(In−1f(z, and ∗ is the Hadamard convolution. We denote by Γn=Mn⋃Γ, where Γ denotes the class of functions of the form f(z=z−1+∑k=1∞|ak|zk. We obtained that relates the modulus of the coefficients to starlikeness for the classes Mn and Γn, and coefficient inequalities for the classes Γn.
Improving the calculation of interdiffusion coefficients
Kapoor, Rakesh R.; Eagar, Thomas W.
1990-12-01
Least-squares spline interpolation techniques are reviewed and presented as a mathematical tool for noise reduction and interpolation of diffusion profiles. Numerically simulated diffusion profiles were interpolated using a sixth-order spline. The spline fit data were successfully used in conjunction with the Boltzmann-Matano treatment to compute the interdiffusion coefficient, demonstrating the usefulness of splines as a numerical tool for such calculations. Simulations conducted on noisy data indicate that the technique can extract the correct diffusivity data given compositional data that contain only three digits of information and are contaminated with a noise level of 0.001. Splines offer a reproducible and reliable alternative to graphical evaluation of the slope of a diffusion profile, which is used in the Boltzmann-Matano treatment. Hence, use of splines reduces the numerical errors associated with calculation of interdiffusion coefficients from raw diffusion profile data.
Correlation and prediction of gaseous diffusion coefficients.
Marrero, T. R.; Mason, E. A.
1973-01-01
A new correlation method for binary gaseous diffusion coefficients from very low temperatures to 10,000 K is proposed based on an extended principle of corresponding states, and having greater range and accuracy than previous correlations. There are two correlation parameters that are related to other physical quantities and that are predictable in the absence of diffusion measurements. Quantum effects and composition dependence are included, but high-pressure effects are not. The results are directly applicable to multicomponent mixtures.
Confidence Intervals for Cronbach's Coefficient Alpha Values
Koning, Alex; Franses, Philip Hans
2003-01-01
textabstractCoefficient Alpha, which is widely used in empirical research, estimates the reliability of a test consisting of parallel items. In practice it is difficult to compare values of alpha across studies as it depends on the number of items used. In this paper we provide a simple solution, which amounts to computing the confidence intervals of an alpha, as these intervals automatically account for differences across the numbers of items. We also give appropriate statistics to test for ...
Numerical Integral of Resistance Coefficients in Diffusion
Zhang, Q. S.
2017-01-01
The resistance coefficients in the screened Coulomb potential of stellar plasma are evaluated to high accuracy. I have analyzed the possible singularities in the integral of scattering angle. There are possible singularities in the case of an attractive potential. This may result in a problem for the numerical integral. In order to avoid the problem, I have used a proper scheme, e.g., splitting into many subintervals where the width of each subinterval is determined by the variation of the integrand, to calculate the scattering angle. The collision integrals are calculated by using Romberg’s method, therefore the accuracy is high (I.e., ˜10-12). The results of collision integrals and their derivatives for -7 ≤ ψ ≤ 5 are listed. By using Hermite polynomial interpolation from those data, the collision integrals can be obtained with an accuracy of 10-10. For very weakly coupled plasma (ψ ≥ 4.5), analytical fittings for collision integrals are available with an accuracy of 10-11. I have compared the final results of resistance coefficients with other works and found that, for a repulsive potential, the results are basically the same as others’ for an attractive potential, the results in cases of intermediate and strong coupling show significant differences. The resulting resistance coefficients are tested in the solar model. Comparing with the widely used models of Cox et al. and Thoul et al., the resistance coefficients in the screened Coulomb potential lead to a slightly weaker effect in the solar model, which is contrary to the expectation of attempts to solve the solar abundance problem.
Extraction of the coefficient of giant magnetoresistance
Energy Technology Data Exchange (ETDEWEB)
Idzerda, Y.U. (Naval Research Laboratory, Washington, DC 20375 (United States)); Chen, C. (AT T Bell Laboratories, 600 Mountain Avenue, Murray Hill, New Jersey 07974 (United States)); Cheng, S. (Naval Surface Warfare Center, Silver Spring, Maryland 20910 (United States)); Vavra, W.; Prinz, G.A. (Naval Research Laboratory, Washington, DC 20375 (United States)); Meigs, G.; Lin, H. (AT T Bell Laboratories, 600 Mountain Avenue, Murray Hill, New Jersey 07974 (United States)); Ho, G.H. (Department of Physics, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States))
1994-06-20
Element specific magnetic hysteresis (ESMH) loops have been used in conjunction with measured magnetoresistance curves to extract the coefficient of giant magnetoresistance (GMR), which is the maximum achievable value of the GMR independent of magnetic domain effects and incomplete moment alignment effects, for sputtered Fe/Cu/Co sandwiches on silicon substrates. Using the ESMH loops to calculate GMR curves, comparison with the measured GMR curves shows that the magnetization reversal process is best described by multidomain Ising behavior.
Detailed Investigations of Load Coefficients on Grates
DEFF Research Database (Denmark)
Andersen, Thomas Lykke; Rasmussen, Michael R.; Frigaard, Peter
In this report is presented the results of model tests carried out at Dept. of Civil Engineering, aalborg University (AAU) on behalf of DONG Energy A/S and Vattenfall A/S, Denmark. The objective of the tests was to investigate the load coefficient on different grates and a solid plate for designi...... offshore windmill access platforms against run-up generated forces with special attention to the influence of air entrainment and the angle of attack....
Attenuation coefficients for water quality trading
Keller, AA; Chen, X.; Fox, J; Fulda, M; Dorsey, R.; Seapy, B; Glenday, J; E Bray
2014-01-01
Water quality trading has been proposed as a cost-effective approach for reducing nutrient loads through credit generation from agricultural or point source reductions sold to buyers facing costly options. We present a systematic approach to determine attenuation coefficients and their uncertainty. Using a process-based model, we determine attenuation with safety margins at many watersheds for total nitrogen (TN) and total phosphorus (TP) loads as they transport from point of load reduction t...
Gómez, M; Murcia, M D; Gómez, E; Ortega, S; Sánchez, A; Thaikovskaya, O; Briantceva, N
2016-12-01
Most photoprocesses follow a pseudo first order kinetic law and, commonly, the kinetic parameter depends on the initial concentration of the substrate. In this work, a kinetic model, which explains this dependence on the substrate concentration and on the other operational variables, has been developed. In the model, mass transfer of substrate from the bulk solution to the wall of the photoreactor was assumed as the step determining the rate of the process. To check the model, methylene blue (MB) has been used as model substrate and photodegradation experiments have been carried out in an exciplex KrCl flow-through photoreactor, It was observed that the methylene blue conversion improved with a decrease in its initial concentration, in good agreement with the model. Also, by fitting the experimental data to the model, high correlation coefficients and a high degree of agreement between experimental and calculated conversion was obtained, which validates the model. Copyright © 2016 Elsevier Ltd. All rights reserved.
Total OH reactivity in ambient air measured in the Pearl-River Delta in China 2006
Lou, S.; Holland, F.; Hofzumahaus, A.
2009-04-01
We have developed a new instrument for the measurement of the total atmospheric OH reactivity, which is defined as the pseudo-first order loss-rate coefficient of OH, resulting from the reactions of OH with atmospheric trace gases like VOCs, CO, NOx etc. The instrument is capable of measuring the lifetime of OH (i.e., the reciprocal OH reactivity) in ambient air, by using a pulsed UV-pump laser-induced fluorescence (LIF) probe technique. The measurement range covers reactivities between 1 s-1 to about 150 s-1, corresponding to conditions from very clean to very polluted environments, with a time resolution of 1-3 min. Here we present measured OH reactivities which were collected during the PRIDE-PRD 2006 photochemistry field campaign in the Pearl River Delta (PRD) in South-China, and present an analysis of the total burden of reactive VOCs encountered at PRD.
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.
Directory of Open Access Journals (Sweden)
Muhammad Imran Khan
2015-07-01
Full Text Available 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.
Kinetics of the reaction of iodine atoms with HO sub 2 radicals
Energy Technology Data Exchange (ETDEWEB)
Jenkin, M.E.; Cox, R.A. (Harwell Laboratory, Oxfordshire (England)); Mellouki, A.; Le Bras, G.; Poulet, G. (CNRS, Orleans (France))
1990-04-05
The rate coefficient (k{sub 7}) for the reaction of iodine atoms with HO{sub 2} radicals, I + HO{sub 2} {yields} HI + O{sub 2}, has been measured directly with use of the discharge-flow/EPR technique, and the molecular-modulation/UV-absorption spectroscopy technique. Discharge-flow measurements were made under pseudo-first-order conditions with iodine atoms in large excess over HO{sub 2}. Molecular-modulation measurements were made with iodine atoms in excess over HO{sub 2}, but the I + HO{sub 2} reaction was occurring in competition with the self-reaction of HO{sub 2}. The potential significance of this reaction as a sink for iodine in the troposphere and other aspects of tropospheric iodine chemistry are considered with a simple model of the atmospheric boundary layer.
New Inference Procedures for Semiparametric Varying-Coefficient Partially Linear Cox Models
Directory of Open Access Journals (Sweden)
Yunbei Ma
2014-01-01
Full Text Available In biomedical research, one major objective is to identify risk factors and study their risk impacts, as this identification can help clinicians to both properly make a decision and increase efficiency of treatments and resource allocation. A two-step penalized-based procedure is proposed to select linear regression coefficients for linear components and to identify significant nonparametric varying-coefficient functions for semiparametric varying-coefficient partially linear Cox models. It is shown that the penalized-based resulting estimators of the linear regression coefficients are asymptotically normal and have oracle properties, and the resulting estimators of the varying-coefficient functions have optimal convergence rates. A simulation study and an empirical example are presented for illustration.
DEFF Research Database (Denmark)
Jeong, Cheol-Ho; Ih, Jeong-Guon; Rindel, Jens Holger
2005-01-01
The phased beam tracing method (PBTM) is a technique which can calculate the pressure impulse response instead of energy impulse response, by taking the phase information into account. Inclusion of the phase information can extend the application of beam tracing technique to the mid frequency range...... in spite of the fact that the usual assumptions of geometric acoustics still hold. In the calculation of pressure impulse response, it is essential to have the reflection characteristics of the surfaces in the enclosed space. There is a method to obtain the reflection coefficient of the surface using......, whereas Rindel proposed the angle dependent reflection coefficient which can be calculated from absorption coefficient under the several assumptions. In this research, the angle dependent reflection coefficients were adopted in the phased beam tracing method and the results are compared with measurement...
Effect of Opening the Sash of a Centre-Pivot Roof Window on Wind Pressure Coefficients
DEFF Research Database (Denmark)
Iqbal, Ahsan; Wigö, Hans; Heiselberg, Per
2014-01-01
This paper describes the effect of outward opening the sash of a window on local and overall wind pressures. Wind tunnel experiments were used for the purpose of evaluation. A centre-pivot roof window on a pitched roof in a modelled scaled building was used in the analysis of wind pressures. The ...... pressure distribution nearby the window. The use of wind pressure coefficients from the analysis of sealed plain surface may lead to erroneous estimation of airflow rate........ The wind pressures were defined in terms of wind pressure coefficients. Traditionally wind pressure coefficients are extracted from the analysis of sealed plain surface. These wind pressure coefficients are used to estimate the natural ventilation rate through windows/openings due to wind effect. Surface...... averaged wind pressure coefficients do not accurately estimate the airflow rates. Therefore, local wind pressure coefficients are needed especially for dynamic calculation of airflow rates. From the wind tunnel experiments, it is concluded that outward opening the sash can significantly affect the wind...
Thermal performance analysis for heat exchangers having a variable overall heat transfer coefficient
Conklin, J. C.; Granryd, E.
The classic, conventional analysis for the thermal performance of heat exchangers is based on three assumptions: constant fluid flow rate, constant specific heat fluids, and constant overall heat transfer coefficient. Our analysis describes a general approach for analyzing the thermal performance of heat exchangers in which the overall heat transfer coefficient varies as a function of enthalpy, with the other two basic assumptions of constant mass flow rates and constant specific heats unchanged. Many heat exchangers have an overall heat transfer coefficient that is not constant. The conventional heat exchanger thermal performance analysis is correct as long as a true, area-weighted mean value is used. In many applications, however, fluids undergo a change in phase, and the heat transfer coefficient is a function of the local quality or enthalpy; hence, the true, area-weighted, mean heat transfer coefficient will be a function of the heat flux distribution. Examples are presented that illustrate the variation in overall heat transfer coefficient for an evaporation process. We present a general method for computing a true, area-weighted mean overall heat transfer coefficient that permits use of a local overall heat transfer coefficient that is an arbitrary function of enthalpy. This method allows a simple yet accurate analysis of the effects of a variable overall heat transfer coefficient to be made without the use of a large mainframe computer. We then investigate: (1) linear variation of local overall heat transfer coefficient with respect to enthalpy; and (2) two heat transfer correlations applicable to flow-boiling inside a tube.
Acetylated Lysozyme as Impurity in Lysozyme Crystals: Constant Distribution Coefficient
Thomas, B. R.; Chernov, A. A.
2000-01-01
Hen egg white lysozyme (HEWL) was acetylated to modify molecular charge keeping the molecular size and weight nearly constant. Two derivatives, A and B, more and less acetylated, respectively, were obtained, separated, purified and added to the solution from which crystals of tetragonal HEWL crystals were grown. Amounts of the A or B impurities added were 0.76, 0.38 and 0.1 milligram per millimeter while HEWL concentration were 20, 30 and 40 milligram per milliliter. The crystals grown in 18 experiments for each impurity were dissolved and quantities of A or B additives in these crystals were analyzed by cation exchange high performance liquid chromatography. All the data for each set of 18 samples with the different impurity and regular HEWL concentrations is well described by one distribution coefficient K = 2.15 plus or minus 0.13 for A and K = 3.42 plus or minus 0.25 for B. The observed independence of the distribution coefficient on both the impurity concentration and supersaturation is explained by the dilution model described in this paper. It shows that impurity adsorption and incorporation rate is proportional to the impurity concentration and that the growth rate is proportional to the crystallizing protein in solution. With the kinetic coefficient for crystallization, beta = 5.10(exp -7) centimeters per second, the frequency at which an impurity molecule near the growing interface irreversibly joins a molecular site on the crystal was found to be 3 1 per second, much higher than the average frequency for crystal molecules. For best quality protein crystals it is better to have low microheterogeneous protein impurity concentration and high supers aturation.
Determination of Friction Coefficient in Unconfined Compression of Brain Tissue
Rashid, Badar; Gilchrist, Michael; 10.1016/j.jmbbm.2012.05.001
2013-01-01
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 for 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 mu 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 mu was equal to 0.09 +/- 0.03, 0.18 +/- 0.04, 0.18 +/- 0.04 and 0.20 +/- 0.02 at strain rates of...
Low-Cost Design of an FIR Filter by Using a Coefficient Mapping Method
Directory of Open Access Journals (Sweden)
Ming-Chih Chen
2013-01-01
Full Text Available This work presents a novel coefficient mapping method to reduce the area cost of the finite impulse response (FIR filter design, especially for optimizing its coefficients. Being capable of reducing the area cost and improving the filter performance, the proposed mapping method consists of four steps: quantization of coefficients, import of parameters, constitution of prime coefficients with parameters, and constitution of residual coefficients with prime coefficients. Effectiveness of the proposed coefficient mapping method is verified by selecting the 48-tap filter of IS-95 code division multiple access (CDMA standard as the benchmark. Experimental results indicate that the proposed design with canonical signed digit (CSD coefficients can operate at 86 MHz with an area of 241,813 um2, leading to a throughput rate of 1,382 Mbps. Its ratio of throughput/area is 5,715 Kbps/um2, yielding a higher performance than that of previous designs. In summary, the proposed design reduces 5.7% of the total filter area, shortens 25.7% of the critical path delay, and improves 14.8% of the throughput/area by a value over that of the best design reported before.
An Indoor Collaborative Coefficient-Triangle APIT Localization Algorithm
Directory of Open Access Journals (Sweden)
Su-Ting Chen
2017-11-01
Full Text Available The Approximate Point-In-Triangulation (APIT localization algorithm is a widely used indoor positioning technology due to its simplicity and low power consumption. However, in practice, In-to-Out misjudgments exist regularly in APIT, and a considerable amount of nodes cannot be positioned due to the low node density. To tackle this issue, a Collaborative Coefficient-triangle APIT Localization (CCAL algorithm is proposed. Firstly, an effective triangle criterion is put forward to reduce the probability of In-to-Out misjudgment and reduce the computational complexity. Then, a further Received Signal Strength Indicator (RSSI location and weighted triangle coordinate calculation method is adopted to reduce the positioning error. Meanwhile, the idea of iterative collaborative positioning of the positioned unknown nodes is introduced to remarkably expand the localization coverage rate. Simulation results show that the proposed algorithm outperforms APIT, RSSI, and other improved algorithms in terms of both node location error and localization coverage rate.
Questionnaire discrimination: (re)-introducing coefficient delta.
Hankins, Matthew
2007-05-18
Questionnaires are used routinely in clinical research to measure health status and quality of life. Questionnaire measurements are traditionally formally assessed by indices of reliability (the degree of measurement error) and validity (the extent to which the questionnaire measures what it is supposed to measure). Neither of these indices assesses the degree to which the questionnaire is able to discriminate between individuals, an important aspect of measurement. This paper introduces and extends an existing index of a questionnaire's ability to distinguish between individuals, that is, the questionnaire's discrimination. Ferguson (1949) 1 derived an index of test discrimination, coefficient delta, for psychometric tests with dichotomous (correct/incorrect) items. In this paper a general form of the formula, deltaG, is derived for the more general class of questionnaires allowing for several response choices. The calculation and characteristics of deltaG are then demonstrated using questionnaire data (GHQ-12) from 2003-2004 British Household Panel Survey (N = 14761). Coefficients for reliability (alpha) and discrimination (deltaG) are computed for two commonly-used GHQ-12 coding methods: dichotomous coding and four-point Likert-type coding. Both scoring methods were reliable (alpha > 0.88). However, deltaG was substantially lower (0.73) for the dichotomous coding of the GHQ-12 than for the Likert-type method (deltaG = 0.96), indicating that the dichotomous coding, although reliable, failed to discriminate between individuals. Coefficient deltaG was shown to have decisive utility in distinguishing between the cross-sectional discrimination of two equally reliable scoring methods. Ferguson's delta has been neglected in discussions of questionnaire design and performance, perhaps because it has not been implemented in software and was restricted to questionnaires with dichotomous items, which are rare in health care research. It is suggested that the more general
Questionnaire discrimination: (re)-introducing coefficient δ
Hankins, Matthew
2007-01-01
Background Questionnaires are used routinely in clinical research to measure health status and quality of life. Questionnaire measurements are traditionally formally assessed by indices of reliability (the degree of measurement error) and validity (the extent to which the questionnaire measures what it is supposed to measure). Neither of these indices assesses the degree to which the questionnaire is able to discriminate between individuals, an important aspect of measurement. This paper introduces and extends an existing index of a questionnaire's ability to distinguish between individuals, that is, the questionnaire's discrimination. Methods Ferguson (1949) [1] derived an index of test discrimination, coefficient δ, for psychometric tests with dichotomous (correct/incorrect) items. In this paper a general form of the formula, δG, is derived for the more general class of questionnaires allowing for several response choices. The calculation and characteristics of δG are then demonstrated using questionnaire data (GHQ-12) from 2003–2004 British Household Panel Survey (N = 14761). Coefficients for reliability (α) and discrimination (δG) are computed for two commonly-used GHQ-12 coding methods: dichotomous coding and four-point Likert-type coding. Results Both scoring methods were reliable (α > 0.88). However, δG was substantially lower (0.73) for the dichotomous coding of the GHQ-12 than for the Likert-type method (δG = 0.96), indicating that the dichotomous coding, although reliable, failed to discriminate between individuals. Conclusion Coefficient δG was shown to have decisive utility in distinguishing between the cross-sectional discrimination of two equally reliable scoring methods. Ferguson's δ has been neglected in discussions of questionnaire design and performance, perhaps because it has not been implemented in software and was restricted to questionnaires with dichotomous items, which are rare in health care research. It is suggested that the
On the solar cycle variation in the barometer coefficients of high latitude neutron monitors
Kusunose, M.; Ogita, N.
1985-01-01
Evaluation of barometer coefficients of neutron monitors located at high latitudes has been performed by using the results of the spherical harmonic analysis based on the records from around twenty stations for twelve years from January 1966 to December 1977. The average of data at eight stations, where continuous records are available for twelve years, show that the absolute value of barometer coefficient is in positive correlation with the cosmic ray neutron intensity. The variation rate of the barometer coefficient to the cosmic ray neutron intensity is influenced by the changes in the cutoff rigidity and in the primary spectrum.
Seasonal variations of Manning's coefficient depending on vegetation conditions in Tärnsjö, Sweden
Plakane, Rūta; Di Baldassarre, Giuliano; Okoli, Kenechukwu
2017-04-01
Hydrological modelling and water resources management require observations of high and low river flows. To estimate them, rating curves based on the characteristics of the river channel and floodplain are often used. Yet, multiple factors can cause uncertainties in rating curves, one of them being the variability of the Manning's roughness coefficient due to seasonal changes of vegetation. Determining this uncertainty has been a challenge, and depending on vegetation conditions on a stream, values can temporarily show an important deviation from the calibrated rating curve, enhancing the importance to understand changes in Manning's roughness coefficient. Examining the aquatic vegetation on the site throughout different seasonal conditions allows one to observe changes within the channel. By depending on cyclical changes in Manning's roughness coefficient values, different discharges may correspond to the same stage conditions. In this context, we present a combination of field work and modelling exercise to the variation of the rating curve due to vegetation changes in a Swedish stream.
Probability based calibration of pressure coefficients
DEFF Research Database (Denmark)
Hansen, Svend Ole; Pedersen, Marie Louise; Sørensen, John Dalsgaard
2015-01-01
not depend on the type of variable action. A probability based calibration of pressure coefficients have been carried out using pressure measurements on the standard CAARC building modelled on scale of 1:383. The extreme pressures measured on the CAARC building model in the wind tunnel have been fitted...... to Gumbel distributions, and these fits are found to represent the data measured with good accuracy. The pressure distributions found have been used in a calibration of partial factors, which should achieve a certain theoretical target reliability index. For a target annual reliability index of 4...
Expansion Coefficient on Oxides and Oxide Ceramics.
1986-05-01
Classification) EXPANSION COEFFICIENTS ON OXIDES AND OXIDE CERAMICS 12 PFRSONAL AUTHOR(S) Josephine Covino 13a TYPE OF REPORT 13b TIME COVERED 114 DATE OF REPORT...drastically alter expansion properties of oxides. It has been found that fine-grained ( tm) anisotropic ceramic materials, such as hafnium oxide, hafnium ...Gokhale. "Thermal Expansion of Zircon ," Jap. J. AppZ. Phys., 7 (1968), p. 1126. 34 -- ’-a.’! nw-W’W L. .WW U. .PV _ 77 NWC TP 6663 81. J. L. Amoros, M
Schwartz formula: is one k-coefficient adequate for all children?
De Souza, Vandrea Carla; Rabilloud, Muriel; Cochat, Pierre; Selistre, Luciano; Hadj-Aissa, Aoumeur; Kassai, Behrouz; Ranchin, Bruno; Berg, Ulla; Herthelius, Maria; Dubourg, Laurence
2012-01-01
Plasma-creatinine-based equations to estimate the glomerular filtration rate are recommended by several clinical guidelines. In 2009, Schwartz et al. adapted the traditional Schwartz equation to children and adolescents but did not find different k-coefficients between children and adolescents (k = 36.5 for all patients). We reevaluated the coefficient of the 2009-Schwartz formula according to sex and age in a pediatric population. We used linear mixed-effects models to reestimate the 2009-Schwartz k-coefficient in 360 consecutive French subjects aged 1 to 18 years referred to a single centre between July 2003 and July 2010 (965 measurements). We assessed the agreement between the estimated glomerular filtration rate obtained with the new formula (called Schwartz-Lyon) and the rate measured by inulin clearance. We then compared this agreement to the one between the measured glomerular filtration rate and 2009-Schwartz formula, first in the French then in a Swedish cohort. In Schwartz-Lyon formula, k was estimated at 32.5 in boys formula was higher than that of 2009-Schwartz formula in children filtration rate in both cohorts, by better 10% and 30% accuracies, and by a better concordance correlation coefficient. The performance and simplicity of Schwartz formula are strong arguments for its routine use in children and adolescents. The specific coefficient for children aged <13 years further improves this performance.
The Convergence Coefficient across Political Systems
Schofield, Norman
2013-01-01
Formal work on the electoral model often suggests that parties or candidates should locate themselves at the electoral mean. Recent research has found no evidence of such convergence. In order to explain nonconvergence, the stochastic electoral model is extended by including estimates of electoral valence. We introduce the notion of a convergence coefficient, c. It has been shown that high values of c imply that there is a significant centrifugal tendency acting on parties. We used electoral surveys to construct a stochastic valence model of the the elections in various countries. We find that the convergence coefficient varies across elections in a country, across countries with similar regimes, and across political regimes. In some countries, the centripetal tendency leads parties to converge to the electoral mean. In others the centrifugal tendency dominates and some parties locate far from the electoral mean. In particular, for countries with proportional electoral systems, namely, Israel, Turkey, and Poland, the centrifugal tendency is very high. In the majoritarian polities of the United States and Great Britain, the centrifugal tendency is very low. In anocracies, the autocrat imposes limitations on how far from the origin the opposition parties can move. PMID:24385886
The convergence coefficient across political systems.
Gallego, Maria; Schofield, Norman
2013-01-01
Formal work on the electoral model often suggests that parties or candidates should locate themselves at the electoral mean. Recent research has found no evidence of such convergence. In order to explain nonconvergence, the stochastic electoral model is extended by including estimates of electoral valence. We introduce the notion of a convergence coefficient, c. It has been shown that high values of c imply that there is a significant centrifugal tendency acting on parties. We used electoral surveys to construct a stochastic valence model of the the elections in various countries. We find that the convergence coefficient varies across elections in a country, across countries with similar regimes, and across political regimes. In some countries, the centripetal tendency leads parties to converge to the electoral mean. In others the centrifugal tendency dominates and some parties locate far from the electoral mean. In particular, for countries with proportional electoral systems, namely, Israel, Turkey, and Poland, the centrifugal tendency is very high. In the majoritarian polities of the United States and Great Britain, the centrifugal tendency is very low. In anocracies, the autocrat imposes limitations on how far from the origin the opposition parties can move.
On Learning Cluster Coefficient of Private Networks.
Wang, Yue; Wu, Xintao; Zhu, Jun; Xiang, Yang
2012-01-01
Enabling accurate analysis of social network data while preserving differential privacy has been challenging since graph features such as clustering coefficient or modularity often have high sensitivity, which is different from traditional aggregate functions (e.g., count and sum) on tabular data. In this paper, we treat a graph statistics as a function f and develop a divide and conquer approach to enforce differential privacy. The basic procedure of this approach is to first decompose the target computation f into several less complex unit computations f1, …, fm connected by basic mathematical operations (e.g., addition, subtraction, multiplication, division), then perturb the output of each fi with Laplace noise derived from its own sensitivity value and the distributed privacy threshold ε i , and finally combine those perturbed fi as the perturbed output of computation f. We examine how various operations affect the accuracy of complex computations. When unit computations have large global sensitivity values, we enforce the differential privacy by calibrating noise based on the smooth sensitivity, rather than the global sensitivity. By doing this, we achieve the strict differential privacy guarantee with smaller magnitude noise. We illustrate our approach by using clustering coefficient, which is a popular statistics used in social network analysis. Empirical evaluations on five real social networks and various synthetic graphs generated from three random graph models show the developed divide and conquer approach outperforms the direct approach.
Questionnaire discrimination: (re-introducing coefficient δ
Directory of Open Access Journals (Sweden)
Hankins Matthew
2007-05-01
Full Text Available Abstract Background Questionnaires are used routinely in clinical research to measure health status and quality of life. Questionnaire measurements are traditionally formally assessed by indices of reliability (the degree of measurement error and validity (the extent to which the questionnaire measures what it is supposed to measure. Neither of these indices assesses the degree to which the questionnaire is able to discriminate between individuals, an important aspect of measurement. This paper introduces and extends an existing index of a questionnaire's ability to distinguish between individuals, that is, the questionnaire's discrimination. Methods Ferguson (1949 1 derived an index of test discrimination, coefficient δ, for psychometric tests with dichotomous (correct/incorrect items. In this paper a general form of the formula, δG, is derived for the more general class of questionnaires allowing for several response choices. The calculation and characteristics of δG are then demonstrated using questionnaire data (GHQ-12 from 2003–2004 British Household Panel Survey (N = 14761. Coefficients for reliability (α and discrimination (δG are computed for two commonly-used GHQ-12 coding methods: dichotomous coding and four-point Likert-type coding. Results Both scoring methods were reliable (α > 0.88. However, δG was substantially lower (0.73 for the dichotomous coding of the GHQ-12 than for the Likert-type method (δG = 0.96, indicating that the dichotomous coding, although reliable, failed to discriminate between individuals. Conclusion Coefficient δG was shown to have decisive utility in distinguishing between the cross-sectional discrimination of two equally reliable scoring methods. Ferguson's δ has been neglected in discussions of questionnaire design and performance, perhaps because it has not been implemented in software and was restricted to questionnaires with dichotomous items, which are rare in health care research. It is
Comparison of field-measured radon diffusion coefficients with laboratory-measured coefficients
Energy Technology Data Exchange (ETDEWEB)
Lepel, E.A.; Silker, W.B.; Thomas, V.W.; Kalkwarf, D.R.
1983-04-01
Experiments were conducted to compare radon diffusion coefficients determined for 0.1-m depths of soils by a steady-state method in the laboratory and diffusion coefficients evaluated from radon fluxes through several-fold greater depths of the same soils covering uranium-mill tailings. The coefficients referred to diffusion in the total pore volume of the soils and are equivalent to values for the quantity, D/P, in the Generic Environmental Impact Statement on Uranium Milling prepared by the US Nuclear Regulatory Commission. Two soils were tested: a well-graded sand and an inorganic clay of low plasticity. For the flux evaluations, radon was collected by adsorption on charcoal following passive diffusion from the soil surface and also from air recirculating through an aluminum tent over the soil surface. An analysis of variance in the flux evaluations showed no significant difference between these two collection methods. Radon diffusion coefficients evaluated from field data were statistically indistinguishable, at the 95% confidence level, from those measured in the laboratory; however, the low precision of the field data prevented a sensitive validation of the laboratory measurements. From the field data, the coefficients were calculated to be 0.03 +- 0.03 cm/sup 2//s for the sand cover and 0.0036 +- 0.0004 cm/sup 2//s for the clay cover. The low precision in the coefficients evaluated from field data was attributed to high variation in radon flux with time and surface location at the field site.
Coefficient of performance of Stirling refrigerators
E Mungan, Carl
2017-09-01
Stirling coolers transfer heat in or out of the working fluid during all four stages of their operation, and their coefficient of performance depends on whether the non-isothermal heat exchanges are performed reversibly or irreversibly. Both of these possibilities can in principle be arranged. Notably, if the working fluid is an ideal gas, the input of energy in the form of heat during one isochoric step is equal in magnitude to the output during the other isochoric step in the cycle. The theoretical performance of the fridge can then attain the reversible Carnot limit if a regenerator is used, which is a high heat capacity material through which the gas flows. Various Stirling refrigerator configurations are analysed in this article at a level of presentation suitable for an introductory undergraduate thermodynamics course.
Clustering stocks using partial correlation coefficients
Jung, Sean S.; Chang, Woojin
2016-11-01
A partial correlation analysis is performed on the Korean stock market (KOSPI). The difference between Pearson correlation and the partial correlation is analyzed and it is found that when conditioned on the market return, Pearson correlation coefficients are generally greater than those of the partial correlation, which implies that the market return tends to drive up the correlation between stock returns. A clustering analysis is then performed to study the market structure given by the partial correlation analysis and the members of the clusters are compared with the Global Industry Classification Standard (GICS). The initial hypothesis is that the firms in the same GICS sector are clustered together since they are in a similar business and environment. However, the result is inconsistent with the hypothesis and most clusters are a mix of multiple sectors suggesting that the traditional approach of using sectors to determine the proximity between stocks may not be sufficient enough to diversify a portfolio.
Friction Experiments for Dynamical Coefficient Measurement
Directory of Open Access Journals (Sweden)
J. J. Arnoux
2011-01-01
Full Text Available An experimental study, including three experimental devices, is presented in order to investigate dry friction phenomena in a wide range of sliding speeds for the steel on steel contact. A ballistic setup, with an air gun launch, allows to estimate the friction coefficient between 20 m/s and 80 m/s. Tests are completed by an adaptation of the sensor on a hydraulic tensile machine (0.01 m/s to 3 m/s and a pin-on-disk tribometer mounted on a CNC lathe (1 to 30 m/s. The interactions at the asperity scale are characterized by a white light interferometer surface analysis.
Transport coefficients in superfluid neutron stars
Energy Technology Data Exchange (ETDEWEB)
Tolos, Laura [Instituto de Ciencias del Espacio (IEEC/CSIC) Campus Universitat Autònoma de Barcelona, Facultat de Ciències, Torre C5, E-08193 Bellaterra (Barcelona) (Spain); Frankfurt Institute for Advances Studies. Johann Wolfgang Goethe University, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main (Germany); Manuel, Cristina [Instituto de Ciencias del Espacio (IEEC/CSIC) Campus Universitat Autònoma de Barcelona, Facultat de Ciències, Torre C5, E-08193 Bellaterra (Barcelona) (Spain); Sarkar, Sreemoyee [Tata Institute of Fundamental Research, Homi Bhaba Road, Mumbai-400005 (India); Tarrus, Jaume [Physik Department, Technische Universität München, D-85748 Garching (Germany)
2016-01-22
We study the shear and bulk viscosity coefficients as well as the thermal conductivity as arising from the collisions among phonons in superfluid neutron stars. We use effective field theory techniques to extract the allowed phonon collisional processes, written as a function of the equation of state and the gap of the system. The shear viscosity due to phonon scattering is compared to calculations of that coming from electron collisions. We also comment on the possible consequences for r-mode damping in superfluid neutron stars. Moreover, we find that phonon collisions give the leading contribution to the bulk viscosities in the core of the neutron stars. We finally obtain a temperature-independent thermal conductivity from phonon collisions and compare it with the electron-muon thermal conductivity in superfluid neutron stars.
Manning's roughness coefficient for Illinois streams
Soong, David T.; Prater, Crystal D.; Halfar, Teresa M.; Wobig, Loren A.
2012-01-01
Manning's roughness coefficients for 43 natural and constructed streams in Illinois are reported and displayed on a U.S. Geological Survey Web site. At a majority of the sites, discharge and stage were measured, and corresponding Manning's coefficients—the n-values—were determined at more than one river discharge. The n-values discussed in this report are computed from data representing the stream reach studied and, therefore, are reachwise values. Presentation of the resulting n-values takes a visual-comparison approach similar to the previously published Barnes report (1967), in which photographs of channel conditions, description of the site, and the resulting n-values are organized for each site. The Web site where the data can be accessed and are displayed is at URL http://il.water.usgs.gov/proj/nvalues/.
CFD Extraction of Heat Transfer Coefficient in Cryogenic Propellant Tanks
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.
Accommodation coefficient of HOBr on deliquescent sodium bromide aerosol particles
Directory of Open Access Journals (Sweden)
M. Wachsmuth
2002-01-01
Full Text Available Uptake of HOBr on sea salt aerosol, sea salt brine or ice is believed to be a key process providing a source of photolabile bromine (Br2 and sustaining ozone depletion cycles in the Arctic troposphere. In the present study, uptake of HOBr on sodium bromide (NaBr aerosol particles was investigated at an extremely low HOBr concentration of 300 cm-3 using the short-lived radioactive isotopes 83-86Br. Under these conditions, at maximum one HOBr molecule was taken up per particle. The rate of uptake was clearly limited by the mass accommodation coefficient, which was calculated to be 0.6 ± 0.2. This value is a factor of 10 larger than estimates used in earlier models. The atmospheric implications are discussed using the box model "MOCCA'', showing that the increase of the accommodation coefficient of HOBr by a factor of 10 only slightly affects net ozone loss, but significantly increases chlorine release.
KINETICS OF SUBSTITUTION OF CIS-BIS(MALONATO ...
African Journals Online (AJOL)
Preferred Customer
Effect of concentration of amino acids. The pseudo-first order rate constants were evaluated from the straight line plot of log (A∞-At) vs. time by using KINTOB software procedure. The rate of the reaction increases with increase in the concentration of amino acids (Table 1). In the amino acid variation studies the pH was kept.
Kinetics of Oxidation of Aliphatic Alcohols by Potassium Dichromate ...
African Journals Online (AJOL)
The pseudo-first-order rate constants were found to be independent of concentration of the oxidant. The presence of TX-100 enhanced the rate of the reaction for all alcohols. Negative salt effects were observed with addition of KCl to the reaction mixture. A suitable mechanism for the reaction was suggested which agrees ...
Yu, Q.; Goudriaan, J.; Wang, T.D.
2001-01-01
A mathematical model for photoinhibition of leaf photosynthesis was developed by formalising the assumptions that (1) the rate of photoinhibition is proportional to irradiance; and (2) the rate of recovery, derived from the formulae for a pseudo first-order process, is proportional to the extent of
Diagnosing cysts with correlation coefficient images from 2-dimensional freehand elastography.
Booi, Rebecca C; Carson, Paul L; O'Donnell, Matthew; Richards, Michael S; Rubin, Jonathan M
2007-09-01
We compared the diagnostic potential of using correlation coefficient images versus elastograms from 2-dimensional (2D) freehand elastography to characterize breast cysts. In this preliminary study, which was approved by the Institutional Review Board and compliant with the Health Insurance Portability and Accountability Act, we imaged 4 consecutive human subjects (4 cysts, 1 biopsy-verified benign breast parenchyma) with freehand 2D elastography. Data were processed offline with conventional 2D phase-sensitive speckle-tracking algorithms. The correlation coefficient in the cyst and surrounding tissue was calculated, and appearances of the cysts in the correlation coefficient images and elastograms were compared. The correlation coefficient in the cysts was considerably lower (14%-37%) than in the surrounding tissue because of the lack of sufficient speckle in the cysts, as well as the prominence of random noise, reverberations, and clutter, which decorrelated quickly. Thus, the cysts were visible in all correlation coefficient images. In contrast, the elastograms associated with these cysts each had different elastographic patterns. The solid mass in this study did not have the same high decorrelation rate as the cysts, having a correlation coefficient only 2.1% lower than that of surrounding tissue. Correlation coefficient images may produce a more direct, reliable, and consistent method for characterizing cysts than elastograms.
T. W. Appelboom; G. M. Chescheir; R. W. Skaggs; J. W. Gilliam; Devendra M. Amatya
2006-01-01
Watershed modeling has become an important tool for researchers with the high costs of water quality monitoring. When modeling nitrate transport within drainage networks, denitrification within the sediments needs to be accounted for. Birgand et. al. developed an equation using a term called a mass transfer coefficient to mathematically describe sediment...
Adler, Jeremy; Parmryd, Ingela
2010-08-01
The Pearson correlation coefficient (PCC) and the Mander's overlap coefficient (MOC) are used to quantify the degree of colocalization between fluorophores. The MOC was introduced to overcome perceived problems with the PCC. The two coefficients are mathematically similar, differing in the use of either the absolute intensities (MOC) or of the deviation from the mean (PCC). A range of correlated datasets, which extend to the limits of the PCC, only evoked a limited response from the MOC. The PCC is unaffected by changes to the offset while the MOC increases when the offset is positive. Both coefficients are independent of gain. The MOC is a confusing hybrid measurement, that combines correlation with a heavily weighted form of co-occurrence, favors high intensity combinations, downplays combinations in which either or both intensities are low and ignores blank pixels. The PCC only measures correlation. A surprising finding was that the addition of a second uncorrelated population can substantially increase the measured correlation, demonstrating the importance of excluding background pixels. Overall, since the MOC is unresponsive to substantial changes in the data and is hard to interpret, it is neither an alternative to nor a useful substitute for the PCC. The MOC is not suitable for making measurements of colocalization either by correlation or co-occurrence.
T.W. Appelboom; G.M. Chescheir; F. Birgand; R.W. Skaggs; J.W. Gilliam; D. Amatya
2010-01-01
Watershed modeling has become an important tool for researchers. Modeling nitrate transport within drainage networks requires quantifying the denitrification within the sediments in canals and streams. In a previous study, several of the authors developed an equation using a term called a mass transfer coefficient to mathematically describe sediment denitrification....
Meylan, William M; Howard, Philip H
2005-11-01
The octanol-air partition coefficient (K(OA)) is useful for predicting the partitioning behavior of organic compounds between air and environmental matrices such as soil, vegetation, and aerosol particles. At present, experimentally determined K(OA) values are available for only several hundred compounds. Therefore, the ability to estimate K(OA) is necessary for screening level evaluation of most chemicals. Although it is possible to estimate K(OA) from the octanol-water partition coefficient (K(OW)) and Henry's law constant (HLC), various concerns have been raised in regard to the usability of this estimation methodology. This work examines the accuracy and usability of K(OW) and HLC in application to a comprehensive database set of K(OA) values for screening level environmental assessment. Results indicate that K(OW) and HLC can be used to accurately predict K(OA) even when estimated K(OW) and HLC values are used. For an experimental dataset of 310log K(OA) values for different compounds, the K(OW)-HLC method was statistically accurate as follows: correlation coefficient (r2): 0.972, standard deviation: 0.526, absolute mean error: 0.358 using predominantly experimental K(OW) and HLC values. When K(OW) and HLC values were estimated (using the KOWWIN and HENRYWIN programs), the statistical accuracy was: correlation coefficient (r2): 0.957, standard deviation: 0.668, absolute mean error: 0.479.
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.
Coefficient αcc in design value of concrete compressive strength
Directory of Open Access Journals (Sweden)
Goleš Danica
2016-01-01
Full Text Available Coefficient αcc introduces the effects of rate and duration of loading on compressive strength of concrete. These effects may be partially or completely compensated by the increase in concrete strength over time. Selection of the value of this coefficient, in recommended range between 0.8 and 1.0, is carried out through the National Annexes to Eurocode 2. This paper presents some considerations related to the introduction of this coefficient and its value adopted in some European countries. The article considers the effect of the adoption of conservative value αcc=0.85 on design value of compressive and flexural resistance of rectangular cross-section made of normal and high strength concrete. It analyzes the influence of different values of coefficient αcc on the area of reinforcement required to achieve the desired resistance of cross-section.
Ballistic Coefficient Prediction for Resident Space Objects
Russell, R.; Arora, N.; Vittaldev, V.; Gaylor, D.
2012-09-01
Recent improvements in atmospheric density modeling now provide more confidence in spacecraft ballistic coefficient (BC) estimations, which were previously corrupted by large errors in density. Without attitude knowledge, forecasting the true BC for accurate future state and uncertainty predictions remains elusive. In this paper, our objective is to improve this predictive capability for ballistic coefficients for Resident Space Objects (RSOs), thus improving the existing drag models and associated accuracy of the U.S. Space Object Catalog. To work towards this goal we implement a two-pronged strategy that includes elements of time series analysis and physics based simulations. State-of-the-art empirical time series prediction methods are applied and tested on BC time series in the context of both simulation data and actual data provided by the Air Force. An archive of simulated BC data is generated using custom 6DOF high fidelity simulations for RSOs using plate models for shapes. The simulator includes force and torque perturbations due to the nonspherical Earth, third-body perturbations, SRP, and atmospheric drag. The simulated BC profiles demonstrate significant variation over short time spans (due primarily to varying frontal areas), providing motivation to improve future BC estimation strategies. The 6DOF modeling is intended to provide a physics-based BC data set to complement the BC data set provided by the AF. For the ‘black-box' time series algorithms, a variety of approaches are considered, whereas two prediction models showed the most promising performance: a multi-tone harmonic model and an autoregressive (AR) model. Both the multi-tone harmonic model and the AR model are subjected to multiple levels of optimizations resulting in highly optimized final models that are tuned specifically with the 205 BC time series provided by the AF. Two versions of the AR model are developed based on the model prediction methodology. The second version of the AR
The Attenuation of Correlation Coefficients: A Statistical Literacy Issue
Trafimow, David
2016-01-01
Much of the science reported in the media depends on correlation coefficients. But the size of correlation coefficients depends, in part, on the reliability with which the correlated variables are measured. Understanding this is a statistical literacy issue.
Flexoelectric and elastic coefficients of odd and even homologous bimesogens
Atkinson, Katie L.; Morris, Stephen M.; Castles, Flynn; Qasim, Malik M.; Gardiner, Damian J.; Coles, Harry J.
2012-01-01
It is known that bimesogenic liquid crystals exhibit a marked “odd-even” effect in the flexoelastic ratio (the effective flexoelectric coefficient to the average elastic coefficient), with the ratio being higher for the “odd-spaced” bimesogens (those with an odd number of alkyl groups in the spacer chain) than their neighboring even-spaced counterparts. To determine the contribution of each property to the flexoelastic ratio, we present experimental results on the flexoelectric and elastic coefficients of two homologous nonsymmetric bimesogens which possess odd and even alkyl spacers. Our results show that, although there are differences in the flexoelectric coefficients, there are substantially larger differences in the effective elastic coefficient. Specifically, the odd bimesogen is found to have both a low splay elastic coefficient and a very low bend elastic coefficient which, when combined, results in a significantly lower effective elastic coefficient and consequently a higher flexoelastic ratio.
On separation of exchange term from the coefficient of the ...
Indian Academy of Sciences (India)
Home; Journals; Pramana – Journal of Physics; Volume 86; Issue 6 ... plus two coefficients of the electromechanical and magnetomechanical couplings, form the coefficient of magnetoelectromechanical coupling (CMEMC), a very important characteristic used for analysingmagnetoelectroelastic smart (composite) materials.
Retrieving complex surface impedances from statistical absorption coefficients
DEFF Research Database (Denmark)
Mondet, Boris Jean-Francois; Brunskog, Jonas; Jeong, Cheol-Ho
2017-01-01
In room acoustic simulations the surface materials are commonly represented with energy parameters, such as the absorption and scattering coefficients, which do not carry phase information. This paper presents a method to transform statistical absorption coefficients into complex surface impedances...... coefficients, prior information about the absorber of interest can be used as constraints, which is shown to help determine the correct impedance from absorption coefficient. Further stability and sensitivity investigations indicate that the method presented constitutes an efficient solution to convert sound...
Dirac-Fock internal conversion coefficients
Band, I M; Nestor, C W; Tikkanen, P O; Raman, S
2002-01-01
Internal conversion coefficients (ICCs) obtained from relativistic self-consistent-field Dirac-Fock (DF) calculations are presented. The exchange terms of DF equations are included exactly, both for the interaction between bound electrons and for the interaction between bound and free electrons. Static and dynamic effects resulting from finite nuclear size are taken into account, the latter using the surface current model. Experimental electron-binding energies are used wherever possible. The hole in the atomic shell from which an electron was emitted is not taken into consideration because there is no compelling experimental evidence to warrant it. ICCs are given here for each Z between Z=10 and Z=126; for K, L sub 1 , L sub 2 , and L sub 3 atomic shells; for nuclear-transition multipolarities E1... E5, M1 ... M5; and for nuclear-transition energies from approx 1 keV above the L sub 1 threshold to 2000 keV. Also given are the total ICCs. Accurate (<=5%) experimental ICCs (K and total) are known for 77 tra...
Sedimentation coefficient distributions of large particles.
Schuck, Peter
2016-07-21
The spatial and temporal evolution of concentration boundaries in sedimentation velocity analytical ultracentrifugation reports on the size distribution of particles with high hydrodynamic resolution. For large particles such as large protein complexes, fibrils, viral particles, or nanoparticles, sedimentation conditions usually allow migration from diffusion to be neglected relative to sedimentation. In this case, the shape of the sedimentation boundaries of polydisperse mixtures relates directly to the underlying size-distributions. Integral and derivative methods for calculating sedimentation coefficient distributions g*(s) of large particles from experimental boundary profiles have been developed previously, and are recapitulated here in a common theoretical framework. This leads to a previously unrecognized relationship between g*(s) and the time-derivative of concentration profiles. Of closed analytical form, it is analogous to the well-known Bridgman relationship for the radial derivative. It provides a quantitative description of the effect of substituting the time-derivative by scan differences with finite time intervals, which appears as a skewed box average of the true distribution. This helps to theoretically clarify the differences between results from time-derivative method and the approach of directly fitting the integral definition of g*(s) to the entirety of experimental boundary data.
Attenuation coefficients for water quality trading.
Keller, Arturo A; Chen, Xiaoli; Fox, Jessica; Fulda, Matt; Dorsey, Rebecca; Seapy, Briana; Glenday, Julia; Bray, Erin
2014-06-17
Water quality trading has been proposed as a cost-effective approach for reducing nutrient loads through credit generation from agricultural or point source reductions sold to buyers facing costly options. We present a systematic approach to determine attenuation coefficients and their uncertainty. Using a process-based model, we determine attenuation with safety margins at many watersheds for total nitrogen (TN) and total phosphorus (TP) loads as they transport from point of load reduction to the credit buyer. TN and TP in-stream attenuation generally increases with decreasing mean river flow; smaller rivers in the modeled region of the Ohio River Basin had TN attenuation factors per km, including safety margins, of 0.19-1.6%, medium rivers of 0.14-1.2%, large rivers of 0.13-1.1%, and very large rivers of 0.04-0.42%. Attenuation in ditches transporting nutrients from farms to receiving rivers is 0.4%/km for TN, while for TP attenuation in ditches can be up to 2%/km. A 95 percentile safety margin of 30-40% for TN and 6-10% for TP, applied to the attenuation per km factors, was determined from the in-stream sensitivity of load reductions to watershed model parameters. For perspective, over 50 km a 1% per km factor would result in 50% attenuation = 2:1 trading ratio.
Directory of Open Access Journals (Sweden)
G. Chen
2017-09-01
Full Text Available The handling of iron ore bulk solids maintains an increasing trend due to economic development. Because iron ore particles have hard composites and irregular shapes, the bulk solids handling equipment surface can suffer from severe sliding wear. Prediction of equipment surface wear volume is beneficial to the efficient maintenance of worn areas. Archard’s equation provides a theoretical solution to predict wear volume. To use Archard’s equation, the coefficient of sliding wear must be determined. To our best knowledge, the coefficient of sliding wear for iron ore handling conditions has not yet been determined. In this research, using a pin-on-disk tribometer, the coefficients of sliding wear for both Sishen particles and mild steel are determined with regard to iron ore handling conditions. Both naturally irregular and spherical shapes of particles are used to estimate average values of wear rate. Moreover, the hardness and inner structures of Sishen particles are examined, which adds the evidence of the interpretation of wear results. It is concluded that the coefficients of sliding wear can vary largely for both Sishen particle and mild steel. The wear rate decreases from transient- to steady-state. The average coefficient of sliding wear is capable of predicting wear with respect to long distances at the steady-state. Two types of sliding friction are distinguished. In addition, it is found that the temperature rise of the friction pairs has negligible influence on wear rate.
Correlation and path coefficient analysis of some quantitative traits ...
African Journals Online (AJOL)
Thirty-seven wheat genotypes and three check varieties were studied for correlation and path coefficient analysis of some quantitative traits in wheat at Kisan (P.G), College, Simbhaoli in India. Generally, the estimates of genotypic correlation coefficients were higher than the corresponding phenotypic correlation coefficients ...
An Investigation of the Sampling Distribution of the Congruence Coefficient.
Broadbooks, Wendy J.; Elmore, Patricia B.
This study developed and investigated an empirical sampling distribution of the congruence coefficient. The effects of sample size, number of variables, and population value of the congruence coefficient on the sampling distribution of the congruence coefficient were examined. Sample data were generated on the basis of the common factor model and…
Li, Xiaoqi; Jiang, Huabei
2013-02-21
We present a study through extensive simulation that considers the impact of inhomogeneous optical scattering coefficient distribution on recovery of optical absorption coefficient maps using tomographic photoacoustic data collected from media mimicking breast tissue. We found that while the impact of scattering heterogeneities/targets is modest on photoacoustic recovery of optical absorption coefficients, the impact of scattering contrast caused by adipose tissue, a layer of normal tissue along the boundary of the breast, is dramatic on reconstruction of optical absorption coefficients using photoacoustic data-up to 25.8% relative error in recovering the absorption coefficient is estimated in such cases. To overcome this problem, we propose a new method to enhance photoacoustic recovery of the optical absorption coefficient in heterogeneous media by considering inhomogeneous scattering coefficient distribution provided by diffuse optical tomography (DOT). Results from extensive simulations show that photoacoustic recovery of absorption coefficient maps can be improved considerably with a priori scattering information from DOT.
CONSEQUENCES OF USING HOME-MADE RADON SOURCES FOR MEASURING THE RADON DIFFUSION COEFFICIENT.
Dobrovolný, T; Jiránek, M
2017-11-01
The applicability of home-made radon sources for determining the radon diffusion coefficient of waterproofing materials was studied for three representatives of materials with a high radium content: uraninite, slag concrete and filter sand. The results of our investigation confirmed that the radon production rate of home-made radon sources is significantly lower than the radon production rate of artificial sources. Consequently, home-made sources are usually unable to generate concentrations higher than 100 kBq/m3 in the source container. Therefore, they cannot be used for determining radon diffusion coefficients lower than 1 × 10-12 m2/s. In addition, when home-made radon sources are used, only time-dependent mathematical solutions of the non-stationary radon diffusion can be used for determining the radon diffusion coefficient from the measured data. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.
Transfer coefficients for terrestrial foodchain: their derivation and limitations
Energy Technology Data Exchange (ETDEWEB)
Ng, Y.C.; Colsher, C.S.; Thompson, S.E.
1979-03-30
Transfer coefficients to predict the passage of isotopes from the environment to terrestrial foods have been derived for various radionuclides of importance in the nuclear fuel cycle. These data update and extend previously recommended handbook values. We derive transfer coefficients to terrestrial foods and describe the systematics of the derived transfer coefficients. Suggestions are offered for changes in the values of transfer coefficients to terrestrial foods that now appear in federal regulatory guides. Deficiencies in our present knowledge concerning transfer coefficients and limitations in the use of these values to ensure compliance with radiation protection standards are discussed.
Bouwman, Jordy; Fournier, Martin; Sims, Ian R; Leone, Stephen R; Wilson, Kevin R
2013-06-20
The reactions of C2H radicals with C4H8 isomers 1-butene, cis-2-butene, trans-2-butene, and isobutene are studied by laser photolysis-vacuum ultraviolet mass spectrometry in a Laval nozzle expansion at 79 K. Bimolecular-reaction rate constants are obtained by measuring the formation rate of the reaction product species as a function of the reactant density under pseudo-first-order conditions. The rate constants are (1.9 ± 0.5) × 10(-10), (1.7 ± 0.5) × 10(-10), (2.1 ± 0.7) × 10(-10), and (1.8 ± 0.9) × 10(-10) cm(3) s(-1) for the reaction of C2H with 1-butene, cis-2-butene, trans-2-butene, and isobutene, respectively. Bimolecular rate constants for 1-butene and isobutene compare well to values measured previously at 103 K using C2H chemiluminescence. Photoionization spectra of the reaction products are measured and fitted to ionization spectra of the contributing isomers. In conjunction with absolute-ionization cross sections, these fits provide isomer-resolved product branching fractions. The reaction between C2H and 1-butene yields (65 ± 10)% C4H4 in the form of vinylacetylene and (35 ± 10)% C5H6 in the form of 4-penten-1-yne. The cis-2-butene and trans-2-butene reactions yield solely 3-penten-1-yne, and no discrimination is made between cis- and trans-3-penten-1-yne. Last, the isobutene reaction yields (26 ± 15)% 3-penten-1-yne, (35 ± 15)% 2-methyl-1-buten-3-yne, and (39 ± 15)% 4-methyl-3-penten-1-yne. The branching fractions reported for the C2H and butene reactions indicate that these reactions preferentially proceed via CH3 or C2H3 elimination rather than H-atom elimination. Within the experimental uncertainties, no evidence is found for the formation of cyclic species.
Directory of Open Access Journals (Sweden)
C. F. Musil
1984-12-01
Full Text Available The kinetics of N- and P- limited growth of Eichhornia crassipes (Mart . Solms were investigated in greenhouse culture with the object of developing a model for predicting population sizes, yields, growth rates and frequencies and amounts of harvest, under varying conditions of nutrient loading and climate, to control both nutrient inputs and excessive growth in eutrophied aquatic systems. The kinetic coefficients, maximum specific growth rate (Umax, half saturation coefficient (Ks and yield coefficient (Yc were measured under N and P limitation in replicated batch culture experiments. Umax values and Ks concentrations derived under N limitation ranged from 5,37 to 8,86% d + and from 400 to 1 506 µg N ℓ1respectively. Those derived under P limitation ranged from 4,51 to 10,89% d 1 and from 41 to 162 fig P ℓ1 respectively. Yc values (fresh mass basis determined ranged from 1 660 to 1 981 (87 to 98 dry mass basis for N and from 16 431 to 18 671 (867 to 980 dry mass basis for P. The reciprocals of Yc values (dry mass basis, expressed as percentages, adequately estimated the minimum limiting concentrations of N and P {% dry mass in the plant tissues. Kinetic coefficients determined are compared with those reported for algae. The experimental method used and results obtained are critically assessed.
African Journals Online (AJOL)
of four acids of different acid strengths, pseudo-first-order rate constants were obtained, and the reaction was found to be follow third order kinetics, first order in triazine, and second order in acid. The kinetic ... constant (36.7 at 25°), and its aprotic nature make it particularly useful for acid-base studies, and a good solvent for ...
SYNTHESIS AND HYDROLYSIS OF NEW ASPIRIN-DERIVED AND TRIFLUSAL-DERIVED ORTHO ESTERS AND ANHYDRIDES
DEFF Research Database (Denmark)
FALBORG, L; SENNING, A
1993-01-01
Ten new 2-substituted 2-methyl-2-oxy-4H-1,3-benzodioxin-4-ones, 4a-i and 6, have been synthesized and their rate constants of pseudo-first-order non-enzymatic hydrolysis determined. One of the compounds, 2-(2-acetoxybenzoyloxy)-2-methyl-4H-1,3-benzodioxin-4-one, 6, is a new anhydride of aspirin...
Effect of electron-withdrawing power of the substituted group on OH ...
Indian Academy of Sciences (India)
Effect of electron-withdrawing power of the substituted group on ... depending on the concentration of acid and electron-withdrawing power, solute .... reaction of. •. OH radical with PTA was determined by formation kinetic studies at 330 and. 360 nm. The pseudo-first order rate increased linearly with solute concentration and ...
Counterion Binding Effects on the Micellar Catalysis of the Base ...
African Journals Online (AJOL)
The effects of counterion binding on micellar catalysis of the base hydrolysis of FE(phen) has been investaged. Pseudo first order rate constant, k , incrases with increase in the concentrations of ME NCI and (But) NC1 at any fixed Sodium dodecyl sulphate (SDS) concentration while the reserve is the case with NH CL.
Kinetics of the Adsorption of Bovine Serum Albumin of White Wine ...
African Journals Online (AJOL)
This study investigates the kinetics of adsorption of bovine serum albumin, BSA, in white wine model solutions onto activated carbon, AC, and alumina, AL. Pseudo-first order and pseudo-second order models were applied to determine the rate and mechanism of adsorption of the white wine protein during the haze removal ...
Kinetics of the Adsorption of Bovine Serum Albumin of White Wine ...
African Journals Online (AJOL)
NJD
2008-11-07
Nov 7, 2008 ... This study investigates the kinetics of adsorption of bovine serum albumin, BSA, in white wine model solutions onto activated carbon, AC, and alumina, AL. Pseudo-first order and pseudo-second order models were applied to determine the rate and mechanism of adsorption of the white wine protein during ...
Photoelectrocatalytic removal of color from water using TiO 2 and ...
African Journals Online (AJOL)
In all cases, the kinetics of the photo catalytic oxidation of methyl orange followed a pseudo first order model and the apparent rate constant may depend on several factors such as, the nature and concentration of the organic compound, radiant flux, the solution pH and the presence of other organic substances.
An Analogy Using Pennies and Dimes to Explain Chemical Kinetics Concepts
Cortes-Figueroa, Jose E.; Perez, Wanda I.; Lopez, Jose R.; Moore-Russo, Deborah A.
2011-01-01
In this article, the authors present an analogy that uses coins and graphical analysis to teach kinetics concepts and resolve pseudo-first-order rate constants related to transition-metal complexes ligand-solvent exchange reactions. They describe an activity that is directed to upper-division undergraduate and graduate students. The activity…
Changes in Electrokinetic Coupling Coefficients of Granite under Triaxial Deformation
Directory of Open Access Journals (Sweden)
Osamu Kuwano
2012-01-01
Full Text Available Electrokinetic phenomena are believed to be the most likely origin of electromagnetic signals preceding or accompanying earthquakes. The intensity of the source current due to the electrokinetic phenomena is determined by the fluid flux and the electrokinetic coupling coefficient called streaming current coefficient; therefore, how the coefficient changes before rupture is essential. Here, we show how the electrokinetic coefficients change during the rock deformation experiment up to failure. The streaming current coefficient did not increase before failure, but continued to decrease up to failure, which is explained in terms of the elastic closure of capillary. On the other hand, the streaming potential coefficient, which is the product of the streaming current coefficient and bulk resistivity of the rock, increased at the onset of dilatancy. It may be due to change in bulk resistivity. Our result indicates that the zeta potential of the newly created surface does not change so much from that of the preexisting fluid rock interface.
Expressions for the Evaporation and Condensation Coefficients in the Hertz-Knudsen Relation.
Persad, Aaron H; Ward, Charles A
2016-07-27
Although the Hertz-Knudsen (HK) relation is often used to correlate evaporation data, the relation contains two empirical parameters (the evaporation and condensation coefficients) that have inexplicably been found to span 3 orders of magnitude. Explicit expressions for these coefficients have yet to be determined. This review will examine sources of error in the HK relation that have led to the coefficients' scatter. Through an examination of theoretical, experimental, and molecular dynamics simulation studies of evaporation, this review will show that the HK relation is incomplete, since it is missing an important physical concept: the coupling between the vapor and liquid phases during evaporation. The review also examines a modified HK relation, obtained from the quantum-mechanically based statistical rate theory (SRT) expression for the evaporation flux and applying a limit to it in which the thermal energy is dominant. Explicit expressions for the evaporation and condensation coefficients are defined in this limit, with the surprising result that the coefficients are not bounded by unity. An examination is made with 127 reported evaporation experiments of water and of ethanol, leading to a new physical interpretation of the coefficients. The review concludes by showing how seemingly small simplifications, such as assuming thermal equilibrium across the liquid-vapor interface during evaporation, can lead to the erroneous predictions from the HK relation that have been reported in the literature.
Zhao, Zhenyong; Selvam, Ammaiyappan; Wong, Jonathan Woon-Chung
2011-06-15
This study aimed at investigating the synergistic effect of temperature and biosurfactant on the biodegradation of phenanthrene in bioslurry. Bench-scale bioslurry experiments were conducted at 25 and 55°C. The desorption rate coefficients of phenanthrene (K(des)) obtained using the pseudo-first order model were 0.0026 and 0.0035 kg mg(-1)h(-1) at 25 and 55°C, respectively. Addition of 1500 mg L(-1) biosurfactant, produced by Acinetobacter calcoaceticus BU03, marginally increased the K(des) at 25°C since most of biosurfactant was sorbed onto soil; however, significantly increased the K(des) to 0.0087 kg mg(-1)h(-1) at 55°C as the thermophilic temperature reduced the adsorption of the biosurfactant onto soil and subsequently enhanced the desorption of phenanthrene. The biodegradation of phenanthrene well fitted pseudo-first order kinetics based on the assumption that biodegradation was limited by the desorption. About 78.7% of phenanthrene was degraded in 30 days at 25°C; and addition of biosurfactant did not affect the biodegradation. However, addition of the biosurfactant or inoculation of A. calcoaceticus BU03 at 55°C significantly enhanced the biodegradation by increasing the K(des). Results indicate that synergistic application of thermophilic temperature and biosurfactant or inoculation of biosurfactant producing microorganisms is an effective and innovative method to enhance the efficiency of PAH degradation in bioslurry system. Copyright © 2011. Published by Elsevier B.V.
The influence of aerodynamic coefficients on the elements of classic projectile paths
Directory of Open Access Journals (Sweden)
Damir D. Jerković
2011-04-01
Full Text Available The article deals with the results of the research on the influence of aerodynamic coefficient values on the trajectory elements and the stability parameters of classic axisymmetric projectiles. It presents the characteristic functions of aerodynamic coefficients with regard to aerodynamic parameters and the projectile body shape. The trajectory elements of the model of classic axisymmetric projectiles and the analyses of their changes were presented with respect to the aerodynamic coefficient values. Introduction Classic axisymmetric projectiles fly through atmosphere using muzzle velocity as initial energy resource, so the aerodynamic force and moment have the most significant influence on the motion of projectiles. The aerodynamic force and moment components represented as aerodynamic coefficients depend on motion velocity i. e. flow velocity, the flow features produced by projectile shape and position in the flow, and angular velocity (rate of the body. The functional dependence of aerodynamic coefficients on certain influential parameters, such as angle of attack and angular velocity components is expressed by the derivative of aerodynamic coefficients. The determination of aerodynamic coefficients and derivatives enables complete definition of the aerodynamic force and moment acting on the classic projectile. The projectile motion problem is considered in relation to defining the projectile stability parameters and the conditions under which the stability occurs. The comparative analyses of aerodynamic coefficient values obtained by numerical methods, semi empirical calculations and experimental research give preliminary evaluation of the quality of the determined values. The flight simulation of the motion of a classic axisymetric projectile, which has the shape defined by the aerodynamic coefficient values, enables the comparative analyses of the trajectory elements and stability characteristics. The model of the classic projectile
Schwartz Formula: Is One k-Coefficient Adequate for All Children?
De Souza, Vandrea Carla; Rabilloud, Muriel; Cochat, Pierre; Selistre, Luciano; Hadj-Aissa, Aoumeur; Kassai, Behrouz; Ranchin, Bruno; Berg, Ulla; Herthelius, Maria; Dubourg, Laurence
2012-01-01
Background/Objective Plasma-creatinine-based equations to estimate the glomerular filtration rate are recommended by several clinical guidelines. In 2009, Schwartz et al. adapted the traditional Schwartz equation to children and adolescents but did not find different k-coefficients between children and adolescents (k = 36.5 for all patients). We reevaluated the coefficient of the 2009-Schwartz formula according to sex and age in a pediatric population. Patients/Methods We used linear mixed-effects models to reestimate the 2009-Schwartz k-coefficient in 360 consecutive French subjects aged 1 to 18 years referred to a single centre between July 2003 and July 2010 (965 measurements). We assessed the agreement between the estimated glomerular filtration rate obtained with the new formula (called Schwartz-Lyon) and the rate measured by inulin clearance. We then compared this agreement to the one between the measured glomerular filtration rate and 2009-Schwartz formula, first in the French then in a Swedish cohort. Results In Schwartz-Lyon formula, k was estimated at 32.5 in boys Schwartz formula in children Schwartz formula are strong arguments for its routine use in children and adolescents. The specific coefficient for children aged <13 years further improves this performance. PMID:23285295
Deploying Fourier Coefficients to Unravel Soybean Canopy Diversity.
Jubery, Talukder Z; Shook, Johnathon; Parmley, Kyle; Zhang, Jiaoping; Naik, Hsiang S; Higgins, Race; Sarkar, Soumik; Singh, Arti; Singh, Asheesh K; Ganapathysubramanian, Baskar
2016-01-01
Soybean canopy outline is an important trait used to understand light interception ability, canopy closure rates, row spacing response, which in turn affects crop growth and yield, and directly impacts weed species germination and emergence. In this manuscript, we utilize a methodology that constructs geometric measures of the soybean canopy outline from digital images of canopies, allowing visualization of the genetic diversity as well as a rigorous quantification of shape parameters. Our choice of data analysis approach is partially dictated by the need to efficiently store and analyze large datasets, especially in the context of planned high-throughput phenotyping experiments to capture time evolution of canopy outline which will produce very large datasets. Using the Elliptical Fourier Transformation (EFT) and Fourier Descriptors (EFD), canopy outlines of 446 soybean plant introduction (PI) lines from 25 different countries exhibiting a wide variety of maturity, seed weight, and stem termination were investigated in a field experiment planted as a randomized complete block design with up to four replications. Canopy outlines were extracted from digital images, and subsequently chain coded, and expanded into a shape spectrum by obtaining the Fourier coefficients/descriptors. These coefficients successfully reconstruct the canopy outline, and were used to measure traditional morphometric traits. Highest phenotypic diversity was observed for roundness, while solidity showed the lowest diversity across all countries. Some PI lines had extraordinary shape diversity in solidity. For interpretation and visualization of the complexity in shape, Principal Component Analysis (PCA) was performed on the EFD. PI lines were grouped in terms of origins, maturity index, seed weight, and stem termination index. No significant pattern or similarity was observed among the groups; although interestingly when genetic marker data was used for the PCA, patterns similar to canopy
Aşçi, Yeliz; Açikel, Unsal; Açikel, Yeşim Sağ
2012-09-01
In this study, the sorption/desorption equilibruim and the desorption kinetics of Cd by rhamnolipid biosurfactant from Na-feldspar as a soil component were investigated. The linear, Langmuir and Freundlich isotherms adequately fitted the equilibrium sorption data with regression coefficients ranging from 0.9836 - 0.9879. However, both the sorption/desorption equilibria were well characterized by the Freundlich model. The extent of hysteresis was quantified based on the differences obtained from sorption and desorption isotherms regarding the quantity of Cd(II) sorbed, the Freundlich exponent, concentration-dependent metal distribution coefficients, and the irreversibility index based on the metal distribution coefficient. The kinetics of desorption of Cd from Na-feldspar was investigated using 77 mM rhamnolipid and at pH 6.8. The first-order, an empirical first-order desorption model (two-coefficient), Lagergren-pseudo-first-order, pseudo-second-order, Elovich and modified Freundlich models were used to describe the kinetic data to estimate the rate constants. To determine the rate-controlling step, the intra-particle diffusion model was also applied to the desorption process. The desorption kinetics of Cd(II) on Na-feldspar was represented better by the pseudo-second-order, Elovich and modified Freundlich equations with correlation coefficients ranging from 0.9941- 0.9982 than by first-order equations. The rate-controlling stage was suggested to be mainly the surface reaction mechanism.
Experimentally Determined Heat Transfer Coefficients for Spacesuit Liquid Cooled Garments
Bue, Grant; Watts, Carly; Rhodes, Richard; Anchondo, Ian; Westheimer, David; Campbell, Colin; Vonau, Walt; Vogel, Matt; Conger, Bruce
2015-01-01
A Human-In-The-Loop (HITL) Portable Life Support System 2.0 (PLSS 2.0) test has been conducted at NASA Johnson Space Center in the PLSS Development Laboratory from October 27, 2014 to December 19, 2014. These closed-loop tests of the PLSS 2.0 system integrated with human subjects in the Mark III Suit at 3.7 psi to 4.3 psi above ambient pressure performing treadmill exercise at various metabolic rates from standing rest to 3000 BTU/hr (880 W). The bulk of the PLSS 2.0 was at ambient pressure but effluent water vapor from the Spacesuit Water Membrane Evaporator (SWME) and the Auxiliary Membrane Evaporator (Mini-ME), and effluent carbon dioxide from the Rapid Cycle Amine (RCA) were ported to vacuum to test performance of these components in flight-like conditions. One of the objectives of this test was to determine the heat transfer coefficient (UA) of the Liquid Cooling Garment (LCG). The UA, an important factor for modeling the heat rejection of an LCG, was determined in a variety of conditions by varying inlet water temperature, flowrate, and metabolic rate. Three LCG configurations were tested: the Extravehicular Mobility Unit (EMU) LCG, the Oceaneering Space Systems (OSS) LCG, and the OSS auxiliary LCG. Other factors influencing accurate UA determination, such as overall heat balance, LCG fit, and the skin temperature measurement, will also be discussed.
Determination of the Evaporation Coefficient of D2O
Energy Technology Data Exchange (ETDEWEB)
Drisdell, Walter S.; Cappa, Christopher D.; Smith, Jared D.; Saykally, Richard J.; Cohen, Ronald C.
2008-03-26
The evaporation rate of D{sub 2}O has been determined by Raman thermometry of a droplet train (12-15 {micro}m diameter) injected into vacuum ({approx}10{sup -5} torr). The cooling rate measured as a function of time in vacuum was fit to a model that accounts for temperature gradients between the surface and the core of the droplets, yielding an evaporation coefficient ({gamma}{sub e}) of 0.57 {+-} 0.06. This is nearly identical to that found for H{sub 2}O (0.62 {+-} 0.09) using the same experimental method and model, and indicates the existence of a kinetic barrier to evaporation. The application of a recently developed transition state theory (TST) model suggests that the kinetic barrier is due to librational and hindered translational motions at the liquid surface, and that the lack of an isotope effect is due to competing energetic and entropic factors. The implications of these results for cloud and aerosol particles in the atmosphere are discussed.
Eddy diffusion coefficients and their upper limits based on application of the similarity theory
Directory of Open Access Journals (Sweden)
M. N. Vlasov
2015-07-01
Full Text Available The equation for the diffusion velocity in the mesosphere and the lower thermosphere (MLT includes the terms for molecular and eddy diffusion. These terms are very similar. For the first time, we show that, by using the similarity theory, the same formula can be obtained for the eddy diffusion coefficient as the commonly used formula derived by Weinstock (1981. The latter was obtained by taking, as a basis, the integral function for diffusion derived by Taylor (1921 and the three-dimensional Kolmogorov kinetic energy spectrum. The exact identity of both formulas means that the eddy diffusion and heat transport coefficients used in the equations, both for diffusion and thermal conductivity, must meet a criterion that restricts the outer eddy scale to being much less than the scale height of the atmosphere. This requirement is the same as the requirement that the free path of molecules must be much smaller than the scale height of the atmosphere. A further result of this criterion is that the eddy diffusion coefficients Ked, inferred from measurements of energy dissipation rates, cannot exceed the maximum value of 3.2 × 106 cm2 s−1 for the maximum value of the energy dissipation rate of 2 W kg−1 measured in the mesosphere and the lower thermosphere (MLT. This means that eddy diffusion coefficients larger than the maximum value correspond to eddies with outer scales so large that it is impossible to use these coefficients in eddy diffusion and eddy heat transport equations. The application of this criterion to the different experimental data shows that some reported eddy diffusion coefficients do not meet this criterion. For example, the large values of these coefficients (1 × 107 cm2 s−1 estimated in the Turbulent Oxygen Mixing Experiment (TOMEX do not correspond to this criterion. The Ked values inferred at high latitudes by Lübken (1997 meet this criterion for summer and winter polar data, but the Ked values for summer at low latitudes
Gas-liquid mass transfer coefficient of methane in bubble column reactor
Energy Technology Data Exchange (ETDEWEB)
Lee, Jaewon; Ha, Kyoung-Su; Lee, Jinwon; Kim, Choongik [Sogang University, Seoul (Korea, Republic of); Yasin, Muhammad; Park, Shinyoung; Chang, In Seop [Gwangju Institute of Science and Technology (GIST), Gwangju (Korea, Republic of); Lee, Eun Yeol [Kyung Hee University, Yongin (Korea, Republic of)
2015-06-15
Biological conversion of methane gas has been attracting considerable recent interest. However, methanotropic bioreactor is limited by low solubility of methane gas in aqueous solution. Although a large mass transfer coefficient of methane in water could possibly overcome this limitation, no dissolved methane probe in aqueous environment is commercially available. We have developed a reactor enabling the measurement of aqueous phase methane concentration and mass transfer coefficient (k{sub L}a). The feasibility of the new reactor was demonstrated by measuring k{sub L}a values as a function of spinning rate of impeller and flow rate of methane gas. Especially, at spinning rate of 300 rpm and flow rate of 3.0 L/min, a large k{sub L}a value of 102.9 h{sup -1} was obtained.
Roughness coefficient and its uncertainty in gravel-bed river
Directory of Open Access Journals (Sweden)
Ji-Sung Kim
2010-06-01
Full Text Available Manning's roughness coefficient was estimated for a gravel-bed river reach using field measurements of water level and discharge, and the applicability of various methods used for estimation of the roughness coefficient was evaluated. Results show that the roughness coefficient tends to decrease with increasing discharge and water depth, and over a certain range it appears to remain constant. Comparison of roughness coefficients calculated by field measurement data with those estimated by other methods shows that, although the field-measured values provide approximate roughness coefficients for relatively large discharge, there seems to be rather high uncertainty due to the difference in resultant values. For this reason, uncertainty related to the roughness coefficient was analyzed in terms of change in computed variables. On average, a 20% increase of the roughness coefficient causes a 7% increase in the water depth and an 8% decrease in velocity, but there may be about a 15% increase in the water depth and an equivalent decrease in velocity for certain cross-sections in the study reach. Finally, the validity of estimated roughness coefficient based on field measurements was examined. A 10% error in discharge measurement may lead to more than 10% uncertainty in roughness coefficient estimation, but corresponding uncertainty in computed water depth and velocity is reduced to approximately 5%. Conversely, the necessity for roughness coefficient estimation by field measurement is confirmed.
Modified Regression Correlation Coefficient for Poisson Regression Model
Kaengthong, Nattacha; Domthong, Uthumporn
2017-09-01
This study gives attention to indicators in predictive power of the Generalized Linear Model (GLM) which are widely used; however, often having some restrictions. We are interested in regression correlation coefficient for a Poisson regression model. This is a measure of predictive power, and defined by the relationship between the dependent variable (Y) and the expected value of the dependent variable given the independent variables [E(Y|X)] for the Poisson regression model. The dependent variable is distributed as Poisson. The purpose of this research was modifying regression correlation coefficient for Poisson regression model. We also compare the proposed modified regression correlation coefficient with the traditional regression correlation coefficient in the case of two or more independent variables, and having multicollinearity in independent variables. The result shows that the proposed regression correlation coefficient is better than the traditional regression correlation coefficient based on Bias and the Root Mean Square Error (RMSE).
Energy Technology Data Exchange (ETDEWEB)
Linjun, Xie, E-mail: linjunx@zjut.edu.cn [College of Mechanical Engineering, Zhejiang University of Technology, Hangzhou 310014 (China); Guohong, Xue; Ming, Zhang [Shanghai Nuclear Engineering Research & Design Institute, Shanghai 200233 (China)
2016-08-01
Graphical abstract: HDS stress coefficient test apparatus. - Highlights: • This paper performs mathematic deduction to the physical model of Hold Down Spring (HDS), establishes a mathematic model of axial load P and stress, stress coefficient and friction coefficient and designs a set of test apparatuses for simulating the pretightening process of the HDS for the first time according to a model similarity criterion. • The mathematical relation between the load and the strain is obtained about the HDS, and the mathematical model of the stress coefficient and the friction coefficient is established. So, a set of test apparatuses for obtaining the stress coefficient is designed according to the model scaling criterion and the friction coefficient of the K1000 HDS is calculated to be 0.336 through the obtained stress coefficient. • The relation curve between the theoretical load and the friction coefficient is obtained through analysis and indicates that the change of the friction coefficient f would influence the pretightening load under the condition of designed stress. The necessary pretightening load in the design process is calculated to be 5469 kN according to the obtained friction coefficient. Therefore, the friction coefficient and the pretightening load under the design conditions can provide accurate pretightening data for the analysis and design of the reactor HDS according to the operations. - Abstract: This paper performs mathematic deduction to the physical model of Hold Down Spring (HDS), establishes a mathematic model of axial load P and stress, stress coefficient and friction coefficient and designs a set of test apparatuses for simulating the pretightening process of the HDS for the first time according to a model similarity criterion. By carrying out tests and researches through a stress testing technique, P–σ curves in loading and unloading processes of the HDS are obtained and the stress coefficient k{sub f} of the HDS is obtained. So, the
Taylor coefficients and coefficient multipliers of Hardy and Bergman-type spaces
Jevtić, Miroljub; Arsenović, Miloš
2016-01-01
This book provides a systematic overview of the theory of Taylor coefficients of functions in some classical spaces of analytic functions and especially of the coefficient multipliers between spaces of Hardy type. Offering a comprehensive reference guide to the subject, it is the first of its kind in this area. After several introductory chapters covering the basic material, a large variety of results obtained over the past 80 years, including the most recent ones, are treated in detail. Several chapters end with discussions of practical applications and related topics that graduate students and experts in other subjects may find useful for their own purposes. Thus, a further aim of the book is to communicate to non-specialists some concrete facts that may be of value in their own work. The book can also be used as a textbook or a supplementary reference for an advanced graduate course. It is primarily intended for specialists in complex and functional analysis, graduate students, and experts in other related...
Choosing the best index for the average score intraclass correlation coefficient.
Shieh, Gwowen
2016-09-01
The intraclass correlation coefficient (ICC)(2) index from a one-way random effects model is widely used to describe the reliability of mean ratings in behavioral, educational, and psychological research. Despite its apparent utility, the essential property of ICC(2) as a point estimator of the average score intraclass correlation coefficient is seldom mentioned. This article considers several potential measures and compares their performance with ICC(2). Analytical derivations and numerical examinations are presented to assess the bias and mean square error of the alternative estimators. The results suggest that more advantageous indices can be recommended over ICC(2) for their theoretical implication and computational ease.
Study of Stirling Engine Efficiency Coefficient under Conditions Being Close to Real Ones
Directory of Open Access Journals (Sweden)
R. Abramian
2013-01-01
Full Text Available An absolute internal efficiency coefficient of the Stirling engine has been obtained without regenerator and with regenerator under conditions when van der Waals gas serves as a working medium. The paper reveals that while taking into account own volume of molecules thermal efficiency coefficient of the Stirling engine depends on mole number of the working medium and it is slightly increasing in comparison with the case of an ideal gas. The paper gives consideration to heat losses while the Stirling machine operates with heat regeneration. Dependence of regeneration rate on time of heat transfer has been obtained in the paper.
Orlova, K. N.; Borovikov, I. F.; Gaidamak, M. A.
2016-08-01
The paper presents background value equivalent dose of gamma-radiation investigation in different weather: clear cloudy and overcast. The change of the dose rate of gamma radiation, depending on the weather and the ability cloudiness to shield gamma rays is shown. A new method for eliminating the consequences of accidents at nuclear power plants or plants using radioactive elements is proposed. A calculation method of cloudiness coefficient absorption and cloudiness gamma-radiation multiplicity attenuation is developed. The gamma- radiation multiplicity attenuation and the absorption coefficient of gamma radiation were calculated.
Wavelet Correlation Coefficient of 'strongly correlated' financial time series
Ashok Razdan
2003-01-01
In this paper we use wavelet concepts to show that correlation coefficient between two financial data's is not constant but varies with scale from high correlation value to strongly anti-correlation value This studies is important because correlation coefficient is used to quantify degree of independence between two variables. In econophysics correlation coefficient forms important input to evolve hierarchial tree and minimum spanning tree of financial data.
Stress Optical Coefficient, Test Methodology, and Glass Standard Evaluation
2016-05-01
ARL-TN-0756 ● MAY 2016 US Army Research Laboratory Stress Optical Coefficient, Test Methodology, and Glass Standard Evaluation...Stress Optical Coefficient, Test Methodology, and Glass Standard Evaluation by Clayton M Weiss Oak Ridge Institute for Science and Education...materials under stress, which is represented by the material property of stress optical coefficient, can be used to evaluate glass samples of known and
Choice of the Ångström-Prescott coefficients
DEFF Research Database (Denmark)
Liu, Xiaoying; Mei, Xurong; Li, Yuzhong
2010-01-01
(fixed) coefficients using data from 20 sites of temperate climate in China. When evaluated by performance indicators of RMSE, RRMSE, MBE, R2 and values of t-statistic, it is demonstrated that time-dependent A–P coefficients are not better than fixed ones in Rs prediction. This indicates...... confidence in predictive accuracy of fixed coefficients and contributes to reducing unnecessary complexity of this model and thus easing their choice, calibration and application....
On separation of exchange term from the coefficient of the ...
Indian Academy of Sciences (India)
A A Zakharenko coefficient ε, magnetic permeability coefficient μ, and electromagnetic constant α [4–8]. However, the coefficient in expression (1) can be naturally written in another form consisting of three terms. It reads as. K2 em = K2 e + K2 m + K2 ex. (2). The first and the second terms on the right-hand side of expression ...
On the Connection Coefficients of the Chebyshev-Boubaker Polynomials
Directory of Open Access Journals (Sweden)
Paul Barry
2013-01-01
Full Text Available The Chebyshev-Boubaker polynomials are the orthogonal polynomials whose coefficient arrays are defined by ordinary Riordan arrays. Examples include the Chebyshev polynomials of the second kind and the Boubaker polynomials. We study the connection coefficients of this class of orthogonal polynomials, indicating how Riordan array techniques can lead to closed-form expressions for these connection coefficients as well as recurrence relations that define them.
On some properties of SU(3 fusion coefficients
Directory of Open Access Journals (Sweden)
Robert Coquereaux
2016-11-01
Full Text Available Three aspects of the SU(3 fusion coefficients are revisited: the generating polynomials of fusion coefficients are written explicitly; some curious identities generalizing the classical Freudenthal–de Vries formula are derived; and the properties of the fusion coefficients under conjugation of one of the factors, previously analyzed in the classical case, are extended to the affine algebra suˆ(3 at finite level.
Usage of attenuation coefficients of some tissue-equivalent materials
TANIR, Ayşe Güneş; KETENCİ, Fatma Serap; BÖLÜKDEMİR, Mustafa Hicabi
2015-01-01
The total attenuation coefficients of 11 biological targets against photon energies were plotted within the energy range 1-10 MeV. From these plots a possible equation describing the relationship between photon energy and the total attenuation coefficient was derived. The suggested equation is mu/ rho = 0.0696/ surd E. To test the validity of the equation and to compare the results of the total attenuation coefficients of 3 tissue-equivalent materials (bolus, rice grains, and boiled rice) th...
Estimating varying coefficients for partial differential equation models.
Zhang, Xinyu; Cao, Jiguo; Carroll, Raymond J
2017-09-01
Partial differential equations (PDEs) are used to model complex dynamical systems in multiple dimensions, and their parameters often have important scientific interpretations. In some applications, PDE parameters are not constant but can change depending on the values of covariates, a feature that we call varying coefficients. We propose a parameter cascading method to estimate varying coefficients in PDE models from noisy data. Our estimates of the varying coefficients are shown to be consistent and asymptotically normally distributed. The performance of our method is evaluated by a simulation study and by an empirical study estimating three varying coefficients in a PDE model arising from LIDAR data. © 2017, The International Biometric Society.
Diffusion coefficient of three-dimensional Yukawa liquids
Energy Technology Data Exchange (ETDEWEB)
Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U. [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)
2013-11-15
The purpose of this work is an investigation of the diffusion coefficient of the dust component in complex plasma. The computer simulation of the Yukawa liquids was made on the basis of the Langevin equation, which takes into account the influence of buffer plasma on the dust particles dynamics. The Green–Kubo relation was used to calculate the diffusion coefficient. Calculations of the diffusion coefficient for a wide range of the system parameters were performed. Using obtained numerical data, we constructed the interpolation formula for the diffusion coefficient. We also show that the interpolation formula correctly describes experimental data obtained under microgravity conditions.
Influence of Dynamical Change of Edges on Clustering Coefficients
Directory of Open Access Journals (Sweden)
Yuhong Ruan
2015-01-01
Full Text Available Clustering coefficient is a very important measurement in complex networks, and it describes the average ratio between the actual existent edges and probable existent edges in the neighbor of one vertex in a complex network. Besides, in a complex networks, the dynamic change of edges can trigger directly the evolution of network and further affect the clustering coefficients. As a result, in this paper, we investigate the effects of the dynamic change of edge on the clustering coefficients. It is illustrated that the increase and decrease of the clustering coefficient can be effectively controlled by adding or deleting several edges of the network in the evolution of complex networks.
Modeling Local Hygrothermal Interaction: Local surface transfer coefficients
DEFF Research Database (Denmark)
Steskens, Paul Wilhelmus Maria Hermanus; Janssen, Hans; Rode, Carsten
2009-01-01
Current models to predict heat, air and moisture (HAM) conditions in building components assume uniform boundary conditions, both for the temperature and relative humidity of the air in an indoor space as well as for the heat and moisture surface transfer coefficients. In order to obtain a reliable...... and moisture transfer coefficients. The research showed that the developed model gives good agreement with the local convective surface transfer coefficients predicted from CFD. The main advantage of the presented (sub)zonal airflow model is that the computational effort is relatively small, while...... the predictions of the local surface transfer coefficients are relatively accurate....
Static pressure and temperature coefficients of working standard microphones
DEFF Research Database (Denmark)
Barrera Figueroa, Salvador; Cutanda Henriquez, Vicente; Torras Rosell, Antoni
2016-01-01
for these coefficients which are used for calibration purposes. Working standard microphones are not exempt of these influences. However, manufacturers usually provide a low frequency value of the environmental coefficient. While in some applications the influence of this coefficient may be negligible, in others it may...... be a significant contribution to the uncertainty of the measurement. Determining the environmental coefficients of individual specimens of measurement microphones can be a straightforward though time-consuming procedure provided the appropriate facilities are available. An alternative is to determine them using...
Generation of Klobuchar Coefficients for Ionospheric Error Simulation
Lee, Chang-Moon; Park, Kwan-Dong; Ha, Jihyun; Lee, Sanguk
2010-06-01
An ionospheric error simulation is needed for creating precise Global Positioning System (GPS) signal using GPS simulator. In this paper we developed Klobuchar coefficients Î±n and Î²n (n = 1, 2, 3, 4) generation algorithms for simulator and verified accuracy of the algorithm. The algorithm extract those Klobuchar coefficients from broadcast (BRDC) messages provided by International GNSS Service during three years from 2006 through 2008 and curve-fit them with sinusoidal and linear functions or constant. The generated coefficients from our developed algorithms are referred to as MODL coefficients, while those coefficients from BRDC messages are named as BRDC coefficients. The maximum correlation coefficient between MODL and BRDC coefficients was found for Î±2 and the value was 0.94. On the other hand, the minimum correlation was 0.64 for the case of Î±1. We estimated vertical total electron content using the Klobuchar model with MODL coefficients, and compared the result with those from the BRDC model and global ionosphere maps. As a result, the maximum RMS was 3.92 and 7.90 TECU, respectively.
Generation of Klobuchar Coefficients for Ionospheric Error Simulation
Directory of Open Access Journals (Sweden)
Chang-Moon Lee
2010-06-01
Full Text Available An ionospheric error simulation is needed for creating precise Global Positioning System (GPS signal using GPS simulator. In this paper we developed Klobuchar coefficients αn and βn (n = 1, 2, 3, 4 generation algorithms for simulator and verified accuracy of the algorithm. The algorithm extract those Klobuchar coefficients from broadcast (BRDC messages provided by International GNSS Service during three years from 2006 through 2008 and curve-fit them with sinusoidal and linear functions or constant. The generated coefficients from our developed algorithms are referred to as MODL coefficients, while those coefficients from BRDC messages are named as BRDC coefficients. The maximum correlation coefficient between MODL and BRDC coefficients was found for α 2 and the value was 0.94. On the other hand, the minimum correlation was 0.64 for the case of α1 . We estimated vertical total electron content using the Klobuchar model with MODL coefficients, and compared the result with those from the BRDC model and global ionosphere maps. As a result, the maximum RMS was 3.92 and 7.90 TECU, respectively.
An analytical Seebeck coefficient model for disordered organic semiconductors
Shi, Xuewen; Lu, Nianduan; Xu, Guangwei; Cao, Jinchen; Han, Zhiheng; Yang, Guanhua; Li, Ling; Liu, Ming
2017-10-01
An analytical Seebeck coefficient model for disordered organic semiconductors based on hopping transport and percolation theory is proposed here. This model demonstrates the relationships between Seebeck coefficient and temperature, carrier concentration as well as disorder degree of materials. As compared with experimental data, the simulated results show a convincing coincidence with experimental results. Moreover, the effect from doping is addressed. The calculation results show that the Seebeck coefficient will decrease with increasing doping ratio, after passing a minimum value then a sharp increase of Seebeck coefficient appears.
Consideration on Singularities in Learning Theory and the Learning Coefficient
Directory of Open Access Journals (Sweden)
Miki Aoyagi
2013-09-01
Full Text Available We consider the learning coefficients in learning theory and give two new methods for obtaining these coefficients in a homogeneous case: a method for finding a deepest singular point and a method to add variables. In application to Vandermonde matrix-type singularities, we show that these methods are effective. The learning coefficient of the generalization error in Bayesian estimation serves to measure the learning efficiency in singular learning models. Mathematically, the learning coefficient corresponds to a real log canonical threshold of singularities for the Kullback functions (relative entropy in learning theory.
Classification of coefficients of variation in experiments with commercial layers
Directory of Open Access Journals (Sweden)
DE Faria Filho
2010-12-01
Full Text Available This study aimed at determining a specific classification of coefficients of variation in experiments with commercial layers. Coefficients of variation were collected from papers published in Brazilian journals between 2000 and 2009 for performance, internal egg quality, and eggshell quality parameters. The coefficients of variation of each parameter were classified as low, intermediate, high, and very high according to the ratio between the median and the pseudo-sigma. It was concluded that the parameters used in experiments with commercial layers have a specific classification of coefficients of variation, and that this must be considered to evaluate experimental accuracy.
Determination of fluence-to-dose conversion coefficients by means of artificial neural networks
Energy Technology Data Exchange (ETDEWEB)
Soto B, T. G.; Rivera P, E.; De Leon M, H. A.; Hernandez D, V. M.; Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico); Gallego, E.; Lorente, A., E-mail: tzinnia.soto@gmail.com [Universidad Politecnica de Madrid, Departamento de Ingenieria Nuclear, Jose Gutierrez Abascal No. 2, 28006 Madrid (Spain)
2012-10-15
In this paper is presented an Artificial Neural Network (Ann) that has been designed, trained and validated to determinate the effective dose e, ambient dose equivalent h(10) and personal dose equivalent hp(10,{theta}) fluence-to-dose conversion coefficients at different positions, having as only input data 7 count rates obtained with a Bonner Sphere Spectrometer (Bss) system. A set of 211 neutron spectra and the fluence-to-dose conversion coefficients published by the International Atomic Energy Agency were used to train and validate the Ann. This set was divided into 2 subsets, one of 181 elements to train the Ann and the remaining 30 to validate it. The Ann was trained using Bss count rates as input data and the fluence-to-dose conversion coefficients as output data. The network was validated and tested with the set of 30 elements that were not used during the training process. Good results were obtained proving that Ann are a good choice for calculating the fluence-to-dose conversion coefficients having as only data the count rates obtained with a Bss. (Author)
Energy Technology Data Exchange (ETDEWEB)
Kuznetsov, S.A. [Institute of Chemistry, Kola Science Centre, RAS, 184200 Apatity, Murmansk Region (Russian Federation)]. E-mail: kuznet@chemy.kolasc.net.ru; Hayashi, H. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Minato, K. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Gaune-Escard, M. [Ecole Polytechnique, IUSTI-CNRS UMR 6595, Technopole de Chateau Gombert, F-13453 Marseille cedex 13 (France)
2005-09-01
The main step in the pyrometallurgical process of spent nuclear fuel recycling is a molten salt electrorefining. The knowledge of separation coefficients of actinides (U, Np, Pu and Am) and rare-earth metals (Y, La, Ce, Nd and Gd) is very important for this step. Usually the separation coefficients are evaluated from the formal standard potentials of metals in melts containing their own ions, values obtained by potentiometric method. Electrochemical experiments were carried out at 723-823 K in order to estimate separation coefficients in LiCl-KCl eutectic melt containing uranium and lanthanum trichlorides. It was shown that for the calculation of uranium and lanthanum separation coefficients it is necessary to determine the voltammetric peak potentials of U(III) and La(III), their concentration in the melt and the kinetic parameters relating to U(III) discharge such as transfer and diffusion coefficients, and standard rate constants of charge transfer.
Temperature Control of Autothermal Reformer System with Coefficient Diagram Method
Srisiriwat, N.; Wutthithanyawat, C.
2017-10-01
The objective of this paper is to design the autothermal reformer (ATR) temperature control by using a coefficient diagram method (CDM). The adiabatic temperature is a main controlled variable of the ATR which is a combination of endothermic and exothermic reactions. The simulation results of control parameters were calculated to maintain the ATR reaction temperature by manipulating air feed flow rate. In this work, two strategies of ATR temperature controller system with and without the feed temperature control of a preheater unit are compared to investigate the appropriate controller system when the change of surrounding temperature is considered as a key disturbance. The results showed that by using the CDM, the stability and robustness for controlling the ATR temperature system were considered to offer the proper control parameters and the designed temperature control of ATR system gave a good performance to maintain the controlled variables and reject the disturbance. Moreover, the ATR control system design with the feed temperature controller can compensate the surrounding temperature better than that without the feed temperature control.
CFD simulation of simultaneous monotonic cooling and surface heat transfer coefficient
Energy Technology Data Exchange (ETDEWEB)
Mihálka, Peter, E-mail: usarmipe@savba.sk; Matiašovský, Peter, E-mail: usarmat@savba.sk [Institute of Construction and Architecture, Slovak Academy of Sciences, Dubravska cesta 9, 845 03 Bratislava (Slovakia)
2016-07-07
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 of 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.
Multilevel Methods for Elliptic Problems with Highly Varying Coefficients on Nonaligned Coarse Grids
Energy Technology Data Exchange (ETDEWEB)
Scheichl, Robert [Univ. of Bath (United Kingdom). Dept. of Mathematical Sciences; Vassilevski, Panayot S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Zikatanov, Ludmil T. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Mathematics
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 cross 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.
Directory of Open Access Journals (Sweden)
Mosayeb Dalvand
2012-01-01
Full Text Available In this research, drying kinetics and mass transfer coefficients (permeability and diffusion of hornbeam wood (Carpinus betulus from Nooshahar region were investigated. For this purpose, several boards with two nominal thicknesses of 2.5 an 5 cm were prepared from a freshly cut log. The boards were dried inside a laboratory kiln at the dry bulb temperature of 40°C and relative humidity of 50% to the final moisture content of 6%. The pattern of moisture loss, thermal diffusion, final moisture gradient along the board thickness, transverse permeability and diffusion coefficients were then measured. The results showed that by increasing of board thickness, the rate of moisture loss decreased, particularly in the hygroscopic range and the moisture gradient increased, but the thermal diffusion was not affected. The transverse permeability and diffusion coefficient of hornbeam wood was 2.91 × 10 -19 m 2 and 3.29 × 10 -9 m 2s-1, respectively. Overall, it can be concluded that due to low transverse permeability coefficient of hornbeam wood, this species is difficult to be impregnated in common wood preservation process. In contrast, due to low diffusion coefficient, hornbeam wood is recommended for applications where high resistant to water vapor diffusion is required.
A high-efficient significant coefficient scanning algorithm for 3-D embedded wavelet video coding
Song, Haohao; Yu, Songyu; Song, Li; Xiong, Hongkai
2005-07-01
3-D embedded wavelet video coding (3-D EWVC) algorithms become a vital scheme for state-of-the-art scalable video coding. A major objective in a progressive transmission scheme is to select the most important information which yields the largest distortion reduction to be transmitted first, so traditional 3-D EWVC algorithms scan coefficients according to bit-plane order. To significant bit information of the same bit-plane, however, these algorithms neglect the different effect of coefficients in different subbands to distortion. In this paper, we analyze different effect of significant information bits of the same bit-plane in different subbands to distortion and propose a high-efficient significant coefficient scanning algorithm. Experimental results of 3-D SPIHT and 3-D SPECK show that high-efficient significant coefficient scanning algorithm can improve traditional 3-D EWVC algorithms' ability of compression, and make reconstructed videos have higher PSNR and better visual effects in the same bit rate compared to original significant coefficient scanning algorithms respectively.
Minimum wall pressure coefficient of orifice plate energy dissipater
Directory of Open Access Journals (Sweden)
Wan-zheng Ai
2015-01-01
Full Text Available Orifice plate energy dissipaters have been successfully used in large-scale hydropower projects due to their simple structure, convenient construction procedure, and high energy dissipation ratio. The minimum wall pressure coefficient of an orifice plate can indirectly reflect its cavitation characteristics: the lower the minimum wall pressure coefficient is, the better the ability of the orifice plate to resist cavitation damage is. Thus, it is important to study the minimum wall pressure coefficient of the orifice plate. In this study, this coefficient and related parameters, such as the contraction ratio, defined as the ratio of the orifice plate diameter to the flood-discharging tunnel diameter; the relative thickness, defined as the ratio of the orifice plate thickness to the tunnel diameter; and the Reynolds number of the flow through the orifice plate, were theoretically analyzed, and their relationships were obtained through physical model experiments. It can be concluded that the minimum wall pressure coefficient is mainly dominated by the contraction ratio and relative thickness. The lower the contraction ratio and relative thickness are, the larger the minimum wall pressure coefficient is. The effects of the Reynolds number on the minimum wall pressure coefficient can be neglected when it is larger than 105. An empirical expression was presented to calculate the minimum wall pressure coefficient in this study.
A Note on the Correlated Random Coefficient Model
DEFF Research Database (Denmark)
Kolodziejczyk, Christophe
In this note we derive the bias of the OLS estimator for a correlated random coefficient model with one random coefficient, but which is correlated with a binary variable. We provide set-identification to the parameters of interest of the model. We also show how to reduce the bias of the estimator...
Riesz frames and approximation of the frame coefficients
DEFF Research Database (Denmark)
Casazza, P.; Christensen, Ole
1998-01-01
A frame is a fmaily {f i } i=1 ∞ of elements in a Hilbert space with the property that every element in can be written as a (infinite) linear combination of the frame elements. Frame theory describes how one can choose the corresponding coefficients, which are called frame coefficients. From...
Confidence intervals for intraclass correlation coefficients in variance components models
Demetrashvili, Nino; Wit, Ernst C.; van den Heuvel, Edwin R.
2016-01-01
Confidence intervals for intraclass correlation coefficients in agreement studies with continuous outcomes are model-specific and no generic approach exists. This paper provides two generic approaches for intraclass correlation coefficients of the form Sigma q=1 2). The first approach uses
Delimiting coefficient alpha from internal consistency and unidimensionality
Sijtsma, K.
2015-01-01
I discuss the contribution by Davenport, Davison, Liou, & Love (2015) in which they relate reliability represented by coefficient α to formal definitions of internal consistency and unidimensionality, both proposed by Cronbach (1951). I argue that coefficient α is a lower bound to reliability and
Graphical Solution of the Monic Quadratic Equation with Complex Coefficients
Laine, A. D.
2015-01-01
There are many geometrical approaches to the solution of the quadratic equation with real coefficients. In this article it is shown that the monic quadratic equation with complex coefficients can also be solved graphically, by the intersection of two hyperbolas; one hyperbola being derived from the real part of the quadratic equation and one from…
Visualising the Roots of Quadratic Equations with Complex Coefficients
Bardell, Nicholas S.
2014-01-01
This paper is a natural extension of the root visualisation techniques first presented by Bardell (2012) for quadratic equations with real coefficients. Consideration is now given to the familiar quadratic equation "y = ax[superscript 2] + bx + c" in which the coefficients "a," "b," "c" are generally…
Predicting blood:air partition coefficients using basic physicochemical properties
Buist, H.E.; Wit-Bos, L. de; Bouwman, T.; Vaes, W.H.J.
2012-01-01
Quantitative Property Property Relationships (QPPRs) for human and rat blood:air partition coefficients (PBAs) have been derived, based on vapour pressure (Log(VP)), the octanol:water partition coefficient (Log(K_OW)) and molecular weight (MW), using partial least squares multilinear modelling.
Determination of Coefficients of Thermal Conductivity (CTC) of ...
African Journals Online (AJOL)
The results are in good agreement with the experiment. PP has the least coefficient of thermal conductivity and it is recommended for making of utensils handles while PVC recommended for making of ceilings and drain-waste pipes. Keywords: Coefficients of Thermal Conductivity, Plastics, Wurukum and Modern Markets, ...
Stochastic Modelling of the Diffusion Coefficient for Concrete
DEFF Research Database (Denmark)
Thoft-Christensen, Palle
In the paper, a new stochastic modelling of the diffusion coefficient D is presented. The modelling is based on physical understanding of the diffusion process and on some recent experimental results. The diffusion coefficients D is strongly dependent on the w/c ratio and the temperature....
Measurement of atomic number and mass attenuation coefficient in ...
Indian Academy of Sciences (India)
The linear attenuation coefficient (), mass attenuation coefficient (/ρ), total atomic cross-section (tot), total electronic cross-section (ele) and the effective atomic number (eff) were calculated for pure magnesium ferrite (MgFe2O4). The values of -ray mass attenuation coeﬃcient were obtained using a NaI energy ...
Comparison of activity coefficient models for electrolyte systems
DEFF Research Database (Denmark)
Lin, Yi; ten Kate, Antoon; Mooijer, Miranda
2010-01-01
Three activity coefficient models for electrolyte solutions were evaluated and compared. The activity coefficient models are: The electrolyte NRTL model (ElecNRTL) by Aspentech, the mixed solvent electrolyte model (MSE) by OLI Systems Inc., and the Extended UNIQUAC model from the Technical Univer...
Ventilation coefficient trends in the recent decades over four major ...
Indian Academy of Sciences (India)
The decreasing ventilation coefficient increased the ground level pollution thereby deteriorating the air quality for the urban population. For Mumbai and. Kolkata, decreasing mixing depths and decreasing wind speed contributed to the decreasing ventilation coefficient whereas for Delhi and Chennai decreasing wind speed ...
Delimiting Coefficient a from Internal Consistency and Unidimensionality
Sijtsma, Klaas
2015-01-01
I discuss the contribution by Davenport, Davison, Liou, & Love (2015) in which they relate reliability represented by coefficient a to formal definitions of internal consistency and unidimensionality, both proposed by Cronbach (1951). I argue that coefficient a is a lower bound to reliability and that concepts of internal consistency and…
Prediction of octanol/water partition coefficient of selected ferrocene ...
African Journals Online (AJOL)
Our prediction of obtained theoretical partition coefficients values of logP for all studied substituted ferrocene was confirmed by comparison with known experimental values obtained mainly from literature. The results obtained show that calculated partition coefficients are in good agreement with experimental values.
Permeability dependence of streaming potential coefficient in porous media
Thanh, L.D.; Sprik, R.
2015-01-01
In theory, the streaming potential coefficient depends not only on the zeta potential but also on the permeability of the rocks that partially determines the surface conductivity of the rocks. However, in practice, it is hard to show the permeability dependence of streaming potential coefficients
Symmetry and Piezoelectricity: Evaluation of $\\alpha$-Quartz coefficients
Tannous, C.
2017-01-01
Piezoelectric coefficients of $\\alpha$-Quartz are derived from symmetry arguments based on Neumann's Principle with three different methods: Fumi, Landau-Lifshitz and Royer-Dieulesaint. While Fumi method is tedious and Landau-Lifshitz requires additional physical principles to evaluate the piezoelectric coefficients, Royer-Dieulesaint is the most elegant and most efficient of the three techniques.
correlation studies and path coefficient analysis for seed yield and ...
African Journals Online (AJOL)
Prof. Adipala Ekwamu
Phenotypic and genotypic correlation coefficients were estimated according to. Johanson et al. (1955), Miller et al. (1958) and. Singh and Chavdhury (1985). Where: = Phenotypic correlation coefficient between traits x and y; ..... Robert E. Kinger Publishing Company,. Malabar. 427pp. Gurubuz, B. 2001. Correlation and path ...
4-manifolds and intersection forms with local coefficients
DEFF Research Database (Denmark)
Frøyshov, Kim Anders
2012-01-01
We extend Donaldson's diagonalization theorem to intersection forms with certain local coefficients, under some constraints. This provides new examples of non-smoothable topological 4-manifolds.......We extend Donaldson's diagonalization theorem to intersection forms with certain local coefficients, under some constraints. This provides new examples of non-smoothable topological 4-manifolds....
Molar extinction coefficients of solutions of some organic compounds
Indian Academy of Sciences (India)
were also fitted to third-order polynomial for all the carbohydrates of CnH2nOn type. Value of molar extinction coefficient is independent of the concentration of the solution as illustrated in figure 2. Using the present experimental data of mass attenuation coefficients of solutions and of H, C and O at different energies from ...
Using the Gini Coefficient for Bug Prediction in Eclipse
Giger, E.; Pinzger, M.; Gall, H.C.
2011-01-01
The Gini coefficient is a prominent measure to quantify the inequality of a distribution. It is often used in the field of economy to describe how goods, e.g., wealth or farmland, are distributed among people. We use the Gini coefficient to measure code ownership by investigating how changes made to
Confidence bounds for normal and lognormal distribution coefficients of variation
Steve Verrill
2003-01-01
This paper compares the so-called exact approach for obtaining confidence intervals on normal distribution coefficients of variation to approximate methods. Approximate approaches were found to perform less well than the exact approach for large coefficients of variation and small sample sizes. Web-based computer programs are described for calculating confidence...
Asymptotically Distribution-Free (ADF) Interval Estimation of Coefficient Alpha
Maydeu-Olivares, Alberto; Coffman, Donna L.; Hartmann, Wolfgang M.
2007-01-01
The point estimate of sample coefficient alpha may provide a misleading impression of the reliability of the test score. Because sample coefficient alpha is consistently biased downward, it is more likely to yield a misleading impression of poor reliability. The magnitude of the bias is greatest precisely when the variability of sample alpha is…
The κ-Generalizations of Stirling Approximation and Multinominal Coefficients
Directory of Open Access Journals (Sweden)
Tatsuaki Wada
2013-11-01
Full Text Available Stirling approximation of the factorials and multinominal coefficients are generalized based on the κ-generalized functions introduced by Kaniadakis. We have related the κ-generalized multinominal coefficients to the κ-entropy by introducing a new κ-product operation, which exists only when κ ≠ 0.
Xenon tissue/blood partition coefficient for pig urinary bladder
DEFF Research Database (Denmark)
Nielsen, K K; Bülow, J; Nielsen, S L
1990-01-01
In four landrace pigs the tissue/blood partition coefficient (lambda) for xenon (Xe) for the urinary bladder was calculated after chemical analysis for lipid, water and protein content and determination of the haematocrit. The coefficients varied from bladder to bladder owing to small differences...
Frictional coefficient depending on active friction radius with BPV ...
African Journals Online (AJOL)
The present paper theoretically investigates the behaviour of frictional coefficient considering variants as active friction radius, brake force variation (BPV) and brake torque variation (BTV) in automobile disc brake system. The variations in the frictional coefficient on the piston side of the rotor disc and on the non piston side ...
Comprehensive rate coefficients for electron-collision-induced transitions in hydrogen
Energy Technology Data Exchange (ETDEWEB)
Vrinceanu, D. [Department of Physics, Texas Southern University, Houston, TX 77004 (United States); Onofrio, R. [Dipartimento di Fisica e Astronomia " Galileo Galilei," Università di Padova, Via Marzolo 8, I-35131 Padova (Italy); Sadeghpour, H. R., E-mail: daniel.vrinceanu@gmail.com, E-mail: onofrior@gmail.com, E-mail: hrsadeghpour@gmail.com [ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States)
2014-01-01
Energy-changing electron-hydrogen atom collisions are crucial to regulating the energy balance in astrophysical and laboratory plasmas and are relevant to the formation of stellar atmospheres, recombination in H II clouds, primordial recombination, three-body recombination, and heating in ultracold and fusion plasmas. Computational modeling of electron-hydrogen collision has been attempted through quantum mechanical scattering state-to-state calculations of transitions involving low-lying energy levels in hydrogen (with principal quantum number n < 7) and at large principal quantum numbers using classical trajectory techniques. Analytical expressions are proposed that interpolate the current quantum mechanical and classical trajectory results for electron-hydrogen scattering in the entire range of energy levels for nearly the entire temperature range of interest in astrophysical environments. An asymptotic expression for the Born cross section is interpolated with a modified expression previously derived for electron-hydrogen scattering in the Rydberg regime using classical trajectory Monte Carlo simulations. The derived formula is compared to existing numerical data for transitions involving low principal quantum numbers, and the dependence of the deviations on temperature is discussed.
Rate Coefficients for the Reactions of BF with O and O2.
1981-12-21
1968). 3U. C. Sridharan, T. G. Digiuseppe, D. L. McFadden, and P. Davidovits , 4J . Chem. Phys. 70, 5422 (1979). 5C. W. Hand and L. K. Derr, Inorg. Chem...64, 3833 (1976). 7U. C. Shridharan, D. L. McFadden, and P. Davidovits , J. Chem. Phys. 65, 5373 (1976). A. Brzychcy, J. Dehaven, A. T. Prengel, and P... Davidovits , Chen. Phys. Lett. 60, 102 (1978). J. Green and J. L. Gole, "Contrasting Chemiluminescent Metal Oxide Forma- tion in the Single Collision
Determining pitch-angle diffusion coefficients from test particle simulations
Ivascenko, A; Spanier, F; Vainio, R
2016-01-01
Transport and acceleration of charged particles in turbulent media is a topic of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The scattering process itself is usually described by small-angle scattering with the pitch-angle coefficient $D_{\\mu\\mu}$ playing a major role. Since the diffusion coefficient $D_{\\mu\\mu}$ can be determined analytically only for the approximation of quasi-linear theory, the determination of this coefficient from numerical simulations has, therefore, become more important. So far these simulations yield particle tracks for small-scale scattering, which can then be interpreted using the running diffusion coefficients. This method has a limited range of validity. This paper presents two new methods that allow for the calculation of the pitch-angle diffusion coefficient from numerical simulations. These methods no longer analyse particle trajectories, but the change of particle dist...
Verifying reciprocal relations for experimental diffusion coefficients in multicomponent mixtures
DEFF Research Database (Denmark)
Medvedev, Oleg; Shapiro, Alexander
2003-01-01
diffusion coefficients into Onsager coefficients for a non-ideal mixture involves derivatives of the chemical potentials and, thus, should be based on a certain thermodynamic model (cubic equation of state (EoS), an activity coefficient model, etc.). Transformation of the Fickian diffusion coefficients...... into Onsager coefficients and a subsequent symmetry check make it possible to evaluate different thermodynamic models with regard to their possibility of being used for prediction of the transport properties. We performed several checks of this kind for ternary mixtures of hydrocarbons and alcohols, where...... extended sets of experimental data and reliable thermodynamic models were available. The sensitivity of the symmetry property to different thermodynamic parameters of the models was also checked. (C) 2003 Elsevier Science B.V. All rights reserved....
Determination of absolute internal conversion coefficients using the SAGE spectrometer
Energy Technology Data Exchange (ETDEWEB)
Sorri, J., E-mail: juha.m.t.sorri@jyu.fi [University of Jyvaskyla, Department of Physics, P.O. Box 35, FI-40014 University of Jyvaskyla (Finland); Greenlees, P.T.; Papadakis, P.; Konki, J. [University of Jyvaskyla, Department of Physics, P.O. Box 35, FI-40014 University of Jyvaskyla (Finland); Cox, D.M. [University of Jyvaskyla, Department of Physics, P.O. Box 35, FI-40014 University of Jyvaskyla (Finland); Department of Physics, University of Liverpool, Oxford Street, Liverpool L69 7ZE (United Kingdom); Auranen, K.; Partanen, J.; Sandzelius, M.; Pakarinen, J.; Rahkila, P.; Uusitalo, J. [University of Jyvaskyla, Department of Physics, P.O. Box 35, FI-40014 University of Jyvaskyla (Finland); Herzberg, R.-D. [Department of Physics, University of Liverpool, Oxford Street, Liverpool L69 7ZE (United Kingdom); Smallcombe, J.; Davies, P.J.; Barton, C.J.; Jenkins, D.G. [Department of Physics, University of York, Heslington, York YO10 5DD (United Kingdom)
2016-03-11
A non-reference based method to determine internal conversion coefficients using the SAGE spectrometer is carried out for transitions in the nuclei of {sup 154}Sm, {sup 152}Sm and {sup 166}Yb. The Normalised-Peak-to-Gamma method is in general an efficient tool to extract internal conversion coefficients. However, in many cases the required well-known reference transitions are not available. The data analysis steps required to determine absolute internal conversion coefficients with the SAGE spectrometer are presented. In addition, several background suppression methods are introduced and an example of how ancillary detectors can be used to select specific reaction products is given. The results obtained for ground-state band E2 transitions show that the absolute internal conversion coefficients can be extracted using the methods described with a reasonable accuracy. In some cases of less intense transitions only an upper limit for the internal conversion coefficient could be given.
Determination of absolute internal conversion coefficients using the SAGE spectrometer
Sorri, J.; Greenlees, P. T.; Papadakis, P.; Konki, J.; Cox, D. M.; Auranen, K.; Partanen, J.; Sandzelius, M.; Pakarinen, J.; Rahkila, P.; Uusitalo, J.; Herzberg, R.-D.; Smallcombe, J.; Davies, P. J.; Barton, C. J.; Jenkins, D. G.
2016-03-01
A non-reference based method to determine internal conversion coefficients using the SAGE spectrometer is carried out for transitions in the nuclei of 154Sm, 152Sm and 166Yb. The Normalised-Peak-to-Gamma method is in general an efficient tool to extract internal conversion coefficients. However, in many cases the required well-known reference transitions are not available. The data analysis steps required to determine absolute internal conversion coefficients with the SAGE spectrometer are presented. In addition, several background suppression methods are introduced and an example of how ancillary detectors can be used to select specific reaction products is given. The results obtained for ground-state band E2 transitions show that the absolute internal conversion coefficients can be extracted using the methods described with a reasonable accuracy. In some cases of less intense transitions only an upper limit for the internal conversion coefficient could be given.
Influence of Geometry on Rotordynamic Coefficients of Brush Seal
Wei, Yuan; Dowell, Earl H.; Chen, Zhaobo; Jiao, Yinghou; Zhang, Zhouqiang
2017-05-01
It has been observed that the geometry of a brush seal has a significant effect on the sealing performance. However, the relationship between rotordynamic coefficients and geometry factors of the brush seal itself are rarely considered. In this article, the rotordynamic coefficients of a typical single-stage brush seal for different geometries and operating conditions were numerically analyzed using CFD RANS solutions coupled with a non-Darcian porous medium model. The reaction force which plays an essential role in rotordynamic coefficients was obtained by integrating the dynamic pressure distribution. The influence of the bristle pack thickness, fence height, clearance size and other working condition parameters on aerodynamic force, stiffness coefficients, and damping coefficients of brush seal were presented and compared. In addition, the effects of various geometric configurations on pressure and flow features were also discussed.
Heck, M. L.; Findlay, J. T.; Compton, H. R.
1983-01-01
The Aerodynamic Coefficient Identification Package (ACIP) is an instrument consisting of body mounted linear accelerometers, rate gyros, and angular accelerometers for measuring the Space Shuttle vehicular dynamics. The high rate recorded data are utilized for postflight aerodynamic coefficient extraction studies. Although consistent with pre-mission accuracies specified by the manufacturer, the ACIP data were found to contain detectable levels of systematic error, primarily bias, as well as scale factor, static misalignment, and temperature dependent errors. This paper summarizes the technique whereby the systematic ACIP error sources were detected, identified, and calibrated with the use of recorded dynamic data from the low rate, highly accurate Inertial Measurement Units.
Exponential Reliability Coefficient based Reputation Mechanism for isolating selfish nodes in MANETs
Directory of Open Access Journals (Sweden)
J. Sengathir
2015-07-01
Full Text Available In mobile ad hoc networks, cooperation among active mobile nodes is considered to play a vital role in reliable transmission of data. But, the selfish mobile nodes present in an ad hoc environment refuse to forward neighbouring nodes’ packet for conserving its own energy. This intentional selfish behaviour drastically reduces the degree of cooperation maintained between the mobile nodes. Hence, a need arises for devising an effective mechanism which incorporates both energy efficiency and reputation into account for mitigating selfish behaviour in MANETs. In this paper, we propose an Exponential Reliability Coefficient based reputation Mechanism (ERCRM which isolates the selfish nodes from the routing path based on Exponential Reliability Coefficient (ExRC. This reliability coefficient manipulated through exponential failure rate based on moving average method highlights the most recent past behaviour of the mobile nodes for quantifying its genuineness. From the simulation results, it is evident that, the proposed ERCRM approach outperforms the existing Packet Conservation Monitoring Algorithm (PCMA and Spilt Half Reliability Coefficient based Mathematical Model (SHRCM in terms of performance evaluation metrics such as packet delivery ratio, throughput, total overhead and control overhead. Further, this ERCRM mechanism has a successful rate of 28% in isolating the selfish nodes from the routing path. Furthermore, it also aids in framing the exponential threshold point of detection as 0.4, where a maximum number of selfish nodes are identified when compared to the existing models available in the literature.
Huang, Yunwei; Long, Mujun; Liu, Peng; Chen, Dengfu; Chen, Huabiao; Gui, Lintao; Liu, Tao; Yu, Sheng
2017-10-01
To quantitatively study the effects of partition coefficients, diffusion coefficients, and solidification paths on solute microsegregation, an analytical model was developed combined with the calculation of thermodynamic software FactSage. This model, applied with variational partition coefficients and temperature-dependent diffusion coefficients, is based on the Voller-Beckermann model and is extended to take into account the effects of multiple components and the peritectic phase transformation using FactSage. The predictions agree well with a range of measured data and the results of other numerical solutions. As the results indicate, the partition coefficients of solutes are functions of temperature and phase fraction during the solidification process, and the solute microsegregation increases significantly with decreasing partition coefficients. The calculations of solute microsegregation ratio ( C L/ C 0) in the interdendritic region are related to solidification paths. The microsegregation ratios of P and S increase as the initial C concentration increases, while they reduce with increasing initial C contents for solutes C and Si. Parameter sensitivity analysis was performed, and the results indicate that the solute microsegregation shows larger variation with partition coefficients and solidification paths than diffusion coefficients.
Gao, Guangyao; Fu, Bojie; Zhan, Hongbin; Ma, Ying
2013-05-01
Predicting the fate and movement of contaminant in soils and groundwater is essential to assess and reduce the risk of soil contamination and groundwater pollution. Reaction processes of contaminant often decreased monotonously with depth. Time-dependent input sources usually occurred at the inlet of natural or human-made system such as radioactive waste disposal site. This study presented a one-dimensional convection-dispersion equation (CDE) for contaminant transport in soils with depth-dependent reaction coefficients and time-dependent inlet boundary conditions, and derived its analytical solution. The adsorption coefficient and degradation rate were represented as sigmoidal functions of soil depth. Solute breakthrough curves (BTCs) and concentration profiles obtained from CDE with depth-dependent and constant reaction coefficients were compared, and a constant effective reaction coefficient, which was calculated by arithmetically averaging the depth-dependent reaction coefficient, was proposed to reflect the lumped depth-dependent reaction effect. With the effective adsorption coefficient and degradation rate, CDE could produce similar BTCs and concentration profiles as those from CDE with depth-dependent reactions in soils with moderate chemical heterogeneity. In contrast, the predicted concentrations of CDE with fitted reaction coefficients at a certain depth departed significantly from those of CDE with depth-dependent reactions. Parametric analysis was performed to illustrate the effects of sinusoidally and exponentially decaying input functions on solute BTCs. The BTCs and concentration profiles obtained from the solutions for finite and semi-infinite domain were compared to investigate the effects of effluent boundary condition. The finite solution produced higher concentrations at the increasing limb of the BTCs and possessed a higher peak concentration than the semi-infinite solution which had a slightly long tail. Furthermore, the finite solution gave
Energy Technology Data Exchange (ETDEWEB)
Kuznetsov, S.A. [Institute of Chemistry, Kola Science Centre, RAS, Apatity, Murmansk Region 184200, Russia (Russian Federation)]. E-mail: kuznet@chemy.kolasc.net.ru; Hayashi, H. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Minato, K. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Gaune-Escard, M. [Ecole Polytechnique, IUSTI-CNRS UMR 6595, University of Provence, F-13453 Marseille, Cedex 13 (France)
2006-02-25
The main step in the pyrometallurgical recycling process of spent nuclear fuel is a molten salt electrorefining. The knowledge of separation coefficients of actinides (U, Np, Pu and Am) and rare-earth metals (Y, La, Ce, Nd and Gd) is very important for this step. Usually the separation coefficients are evaluated from the formal standard potentials of metals in melts containing their own ions, i.e. values obtained by potentiometric method. Electrochemical experiments were carried out at 723-823 K in order to estimate separation coefficients in LiCl-KCl eutectic melt containing uranium and lanthanum trichlorides. The electrochemical behaviour of UCl{sub 3} in LiCl-KCl melt was studied by different electrochemical methods. The diffusion coefficients of U(III) were determined by linear sweep voltammetry, chronopotentiometry and chronoamperometry. The standard rate constants of charge transfer for electroreduction of uranium, U(III) + 3e{sup -} {sup {yields}} U, were calculated by the impedance spectroscopy method. The values of constants testify that electroreduction of U(III) to U is mainly controlled by the rate of charge transfer. La(III) discharge on uranium electrode was also investigated. It was shown that for the calculation of uranium and lanthanum separation coefficients it is necessary to determine the voltammetric peak potentials of U(III) and La(III), their concentration in the melt and the kinetic parameters relating to U(III) discharge such as transfer and diffusion coefficients, and standard rate constants of charge transfer.
Approximate reflection coefficients for a thin VTI layer
Hao, Qi
2017-09-18
We present an approximate method to derive simple expressions for the reflection coefficients of P- and SV-waves for a thin transversely isotropic layer with a vertical symmetry axis (VTI) embedded in a homogeneous VTI background. The layer thickness is assumed to be much smaller than the wavelengths of P- and SV-waves inside. The exact reflection and transmission coefficients are derived by the propagator matrix method. In the case of normal incidence, the exact reflection and transmission coefficients are expressed in terms of the impedances of vertically propagating P- and S-waves. For subcritical incidence, the approximate reflection coefficients are expressed in terms of the contrast in the VTI parameters between the layer and the background. Numerical examples are designed to analyze the reflection coefficients at normal and oblique incidence, and investigate the influence of transverse isotropy on the reflection coefficients. Despite giving numerical errors, the approximate formulae are sufficiently simple to qualitatively analyze the variation of the reflection coefficients with the angle of incidence.
Inflationary Weak Anisotropic Model with General Dissipation Coefficient
Sharif, M
2015-01-01
This paper explores the dynamics of warm intermediate and logamediate inflationary models during weak dissipative regime with a general form of dissipative coefficient. We analyze these models within the framework of locally rotationally symmetric Bianchi type I universe. In both cases, we evaluate solution of inflaton, effective scalar potential, dissipative coefficient, slow-roll parameters, scalar and tensor power spectra, scalar spectral index and tensor to scalar ratio under slow-roll approximation. We constrain the model parameters using recent data and conclude that anisotropic inflationary universe model with generalized dissipation coefficient remains compatible with WMAP9, Planck and BICEP2 data.
(Non)-renormalization of the chiral vortical effect coefficient
Energy Technology Data Exchange (ETDEWEB)
Golkar, Siavash; Son, Dam T. [Kadanoff Center for Theoretical Physics and Enrico Fermi Institute, University of Chicago,5640 South Ellis Ave., Chicago, IL 60637 (United States)
2015-02-26
We show using diagramtic arguments that in some (but not all) cases, the temperature dependent part of the chiral vortical effect coefficient is independent of the coupling constant. An interpretation of this result in terms of quantization in the effective 3 dimensional Chern-Simons theory is also given. In the language of 3D, dimensionally reduced theory, the value of the chiral vortical coefficient is related to the formula ∑{sub n=1}{sup ∞}n=−1/12. We also show that in the presence of dynamical gauge fields, the CVE coefficient is not protected from renormalization, even in the large N limit.
Frictional coefficients of structural materials in AC superconducting coils
Sekine, N.; Takao, T.; Shoji, T.; Toyama, H.; Kashiwazaki, K.; Sugasawa, N.; Nakamura, K.; Kashima, T.; Yamanaka, A.; Takeo, M.; Sato, S.
2001-05-01
Dyneema ® and glass fiber reinforced plastics (DGFRPs) expand when they are cooled down to cryogenic temperature. Therefore, they may have applications as structural materials in superconducting magnets to increase stability against abrupt motion of superconductors in the magnets. To obtain the mechanical properties of DGFRPs, we measured coefficients of friction on surfaces of DGFRPs under various experimental conditions at three temperatures, four different forces, and two types of DGFRPs. In all of the experimental conditions, the measured coefficients of friction were quite low. The range of measured coefficients was 0.07-0.14.
Maxwell boundary condition and velocity dependent accommodation coefficient
Energy Technology Data Exchange (ETDEWEB)
Struchtrup, Henning, E-mail: struchtr@uvic.ca [Department of Mechanical Engineering, University of Victoria, Victoria, British Columbia V8W 2Y2 (Canada)
2013-11-15
A modification of Maxwell's boundary condition for the Boltzmann equation is developed that allows to incorporate velocity dependent accommodation coefficients into the microscopic description. As a first example, it is suggested to consider the wall-particle interaction as a thermally activated process with three parameters. A simplified averaging procedure leads to jump and slip boundary conditions for hydrodynamics. Coefficients for velocity slip, temperature jump, and thermal transpiration flow are identified and compared with those resulting from the original Maxwell model and the Cercignani-Lampis model. An extension of the model leads to temperature dependent slip and jump coefficients.
Maxwell boundary condition and velocity dependent accommodation coefficient
Struchtrup, Henning
2013-11-01
A modification of Maxwell's boundary condition for the Boltzmann equation is developed that allows to incorporate velocity dependent accommodation coefficients into the microscopic description. As a first example, it is suggested to consider the wall-particle interaction as a thermally activated process with three parameters. A simplified averaging procedure leads to jump and slip boundary conditions for hydrodynamics. Coefficients for velocity slip, temperature jump, and thermal transpiration flow are identified and compared with those resulting from the original Maxwell model and the Cercignani-Lampis model. An extension of the model leads to temperature dependent slip and jump coefficients.
Energy distribution for Coefficients of Redundant Signal Representations of Music
DEFF Research Database (Denmark)
Endelt, Line Ørtoft; la Cour-Harbo, Anders
2005-01-01
In this paper we investigate how the energy is distributed in the coefficients vector of various redundant signal representations of music signals. The representations are found using Basis Pursuit, Matching Pursuit, Alternating Projections, Best Orthogonal Basis and Method of Frames, with five.......9 % of the energy in the coefficients, also the time consummation for finding the representations are considered. The distribution of energy in the coefficients of the representations found using Basis Pursuit, Matching Pursuit, Alternating Projections and Best Orthogonal Basis depends mainly on the signal...
Robust Stabilization of Nonlinear Systems with Uncertain Varying Control Coefficient
Directory of Open Access Journals (Sweden)
Zaiyue Yang
2014-01-01
Full Text Available This paper investigates the stabilization problem for a class of nonlinear systems, whose control coefficient is uncertain and varies continuously in value and sign. The study emphasizes the development of a robust control that consists of a modified Nussbaum function to tackle the uncertain varying control coefficient. By such a method, the finite-time escape phenomenon has been prevented when the control coefficient is crossing zero and varying its sign. The proposed control guarantees the asymptotic stabilization of the system and boundedness of all closed-loop signals. The control performance is illustrated by a numerical simulation.
Non-linear Bayesian update of PCE coefficients
Litvinenko, Alexander
2014-01-06
Given: a physical system modeled by a PDE or ODE with uncertain coefficient q(?), a measurement operator Y (u(q), q), where u(q, ?) uncertain solution. Aim: to identify q(?). The mapping from parameters to observations is usually not invertible, hence this inverse identification problem is generally ill-posed. To identify q(!) we derived non-linear Bayesian update from the variational problem associated with conditional expectation. To reduce cost of the Bayesian update we offer a unctional approximation, e.g. polynomial chaos expansion (PCE). New: We apply Bayesian update to the PCE coefficients of the random coefficient q(?) (not to the probability density function of q).
Structure coefficients for different initial metallicities for use in stellar analysis
Inlek, Gulay; Budding, Edwin; Demircan, Osman
2017-09-01
Internal structure coefficients for zero age Main Sequence (ZAMS) model stars with different initial metallicities are presented. A series of (Eggleton) stellar models with masses between 1-40 M_{⊙} and metallicities Z=0.0001, Z=0.001, Z=0.004, Z=0.01, Z=0.02, and Z=0.03 were used. We have also calculated the same coefficients for a recommended solar metallicity value Z=0.0134 (Asplund et al. in Annu. Rev. Astron. Astrophys. 47:481, 2009). For each model, values of the internal structure constants k2, k3, k4 and related coefficients have been derived by numerically integrating Radau's equation with the (FORTRAN) program RADAU. The (Eggleton) stellar models used come from the ` EZ-Web' compilation of the Dept. of Astronomy, University of Wisconsin, Madison. The calculations follow the procedure given by Inlek and Budding (Astrophys. Space Sci. 342:365, 2012). These new results were compared with others in the literature. We deduce that the current state of theoretical evaluation of structure coefficients is generally in sufficient agreement with data obtained from apsidal advance rates of selected well-observed eccentric eclipsing binary stars at the present time, given the probable errors of the latter. However, new results coming from more precise and extensive data sets in the wake of the Kepler Mission, or similar future surveys, may call for further theoretical specification or refinement. The derivation of structure coefficients from observations of apsidal motion in close eccentric binary systems requires specification of relevant parameters from light curve analysis. A self-consistent treatment then implies inclusion of the structure coefficients within the fitting function of such analysis.
Influence of rotating magnetic field on gas-liquid volumetric mass transfer coefficient
Directory of Open Access Journals (Sweden)
Rakoczy Rafał
2017-09-01
Full Text Available The main objective of these experiments was to study the oxygen mass transfer rate through the volumetric mass transfer coefficient (kLa for an experimental set-up equipped with a rotating magnetic field (RMF generator and various liquids. The experimental results indicated that kLa increased along the magnetic strength and the superficial gas velocity. Mathematical correlations defining the influence of the considered factors on kLa were proposed.
Effect of applied mechanical stress on absorption coefficient of compounds
Energy Technology Data Exchange (ETDEWEB)
Gupta, Manoj Kumar, E-mail: mkgupta.sliet@gmail.com [Department of Applied Sciences, Bhai Gurdas Institute of Engineering and Technology, Sangrur (India); Singh, Gurinderjeet; Dhaliwal, A. S.; Kahlon, K. S. [Department of Physics, Sant Longowal Institute of Engineering & Technology Deemed University, Longowal (Sangrur) India-148106 (India)
2015-08-28
The absorption coefficient of given materials is the parameter required for the basic information. The measurement of absorption coefficient of compounds Al{sub 2}O{sub 3}, CaCO{sub 3}, ZnO{sub 2}, SmO{sub 2} and PbO has been taken at different incident photon energies 26, 59.54, 112, 1173, 1332keV. The studies involve the measurements of absorption coefficient of the self supporting samples prepared under different mechanical stress. This mechanical stress is render in terms of pressure up to 0-6 ton by using hydraulic press. Measurements shows that absorption coefficient of a material is directly proportional to applied mechanical stress on it up to some extent then become independent. Experimentally measured results are in fairly good agreement with in theoretical values obtained from WinXCOM.
Approximate equations at breaking for nearshore wave transformation coefficients
Digital Repository Service at National Institute of Oceanography (India)
Chandramohan, P.; Nayak, B.U.; SanilKumar, V.
Based on small amplitude wave theory approximate equations are evaluated for determining the coefficients of shoaling, refraction, bottom friction, bottom percolation and viscous dissipation at breaking. The results obtainEd. by these equations...
Seal assembly for materials with different coefficients of thermal expansion
Minford, Eric [Laurys Station, PA
2009-09-01
Seal assembly comprising (a) two or more seal elements, each element having having a coefficient of thermal expansion; and (b) a clamping element having a first segment, a second segment, and a connecting segment between and attached to the first and second segments, wherein the two or more seal elements are disposed between the first and second segments of the clamping element. The connecting segment has a central portion extending between the first segment of the clamping element and the second segment of the clamping element, and the connecting segment is made of a material having a coefficient of thermal expansion. The coefficient of thermal expansion of the material of the connecting segment is intermediate the largest and smallest of the coefficients of thermal expansion of the materials of the two or more seal elements.
Analytic expressions for ULF wave radiation belt radial diffusion coefficients
National Research Council Canada - National Science Library
Ozeke, Louis G; Mann, Ian R; Murphy, Kyle R; Jonathan Rae, I; Milling, David K
2014-01-01
We present analytic expressions for ULF wave‐derived radiation belt radial diffusion coefficients, as a function of L and Kp , which can easily be incorporated into global radiation belt transport models...
Research on the Fault Coefficient in Complex Electrical Engineering
Directory of Open Access Journals (Sweden)
Yi Sun
2015-08-01
Full Text Available Fault detection and isolation in a complex system are research hotspots and frontier problems in the reliability engineering field. Fault identification can be regarded as a procedure of excavating key characteristics from massive failure data, then classifying and identifying fault samples. In this paper, based on the fundamental of feature extraction about the fault coefficient, we will discuss the fault coefficient feature in complex electrical engineering in detail. For general fault types in a complex power system, even if there is a strong white Gaussian stochastic interference, the fault coefficient feature is still accurate and reliable. The results about comparative analysis of noise influence will also demonstrate the strong anti-interference ability and great redundancy of the fault coefficient feature in complex electrical engineering.
Using two coefficients modeling of nonsubsampled Shearlet transform for despeckling
Jafari, Saeed; Ghofrani, Sedigheh
2016-01-01
Synthetic aperture radar (SAR) images are inherently affected by multiplicative speckle noise. Two approaches based on modeling the nonsubsampled Shearlet transform (NSST) coefficients are presented. Two-sided generalized Gamma distribution and normal inverse Gaussian probability density function have been used to model the statistics of NSST coefficients. Bayesian maximum a posteriori estimator is applied to the corrupted NSST coefficients in order to estimate the noise-free NSST coefficients. Finally, experimental results, according to objective and subjective criteria, carried out on both artificially speckled images and the true SAR images, demonstrate that the proposed methods outperform other state of art references via two points of view, speckle noise reduction and image quality preservation.
The calculation of hydrodynamic coefficients for underwater vehicles
National Research Council Canada - National Science Library
Jones, D. A
2002-01-01
.... As part of an examination of the requirements for the hydrodynamics and maneuverability of these vehicles MPD has been tasked with the development of models to determine the hydrodynamic coefficients...
Null distribution of multiple correlation coefficient under mixture normal model
Directory of Open Access Journals (Sweden)
Hydar Ali
2002-01-01
correlation coefficient, R2, when a sample is drawn from a mixture of two multivariate Gaussian populations. The moments of 1−R2 and inverse Mellin transform have been used to derive the density of R2.
Generalized Correlation Coefficient Based on Log Likelihood Ratio Test Statistic
Directory of Open Access Journals (Sweden)
Liu Hsiang-Chuan
2016-01-01
Full Text Available In this paper, I point out that both Joe’s and Ding’s strength statistics can only be used for testing the pair-wise independence, and I propose a novel G-square based strength statistic, called Liu’s generalized correlation coefficient, it can be used to detect and compare the strength of not only the pair-wise independence but also the mutual independence of any multivariate variables. Furthermore, I proved that only Liu’s generalized correlation coefficient is strictly increasing on its number of variables, it is more sensitive and useful than Cramer’s V coefficient, in other words, Liu generalized correlation coefficient is not only the G-square based strength statistic, but also an improved statistic for detecting and comparing the strengths of deferent associations of any two or more sets of multivariate variables, moreover, this new strength statistic can also be tested by G2.
Variational problem with complex coefficient of a nonlinear ...
Indian Academy of Sciences (India)
Abstract. An optimal control problem governed by a nonlinear Schrödinger equation with complex coefficient is investigated. The paper studies existence, uniqueness and optimality conditions for the control problem.
Solving Variable Coefficient Fourth-Order Parabolic Equation by ...
African Journals Online (AJOL)
In this paper, a Modified initial guess Variational Iteration Method (MigVIM) is used to solve a non-homogeneous variable coefficient fourth order parabolic partial differential equations. The new method shows rapid convergence to the exact solution.
Lower bound of assortativity coefficient in scale-free networks
Yang, Dan; Pan, Liming; Zhou, Tao
2017-03-01
The degree-degree correlation is important in understanding the structural organization of a network and dynamics upon a network. Such correlation is usually measured by the assortativity coefficient r, with natural bounds r ∈ [ - 1 , 1 ] . For scale-free networks with power-law degree distribution p ( k ) ˜ k - γ , we analytically obtain the lower bound of assortativity coefficient in the limit of large network size, which is not -1 but dependent on the power-law exponent γ. This work challenges the validation of the assortativity coefficient in heterogeneous networks, suggesting that one cannot judge whether a network is positively or negatively correlated just by looking at its assortativity coefficient alone.
A Semiparametric Recurrent Events Model with Time-varying Coefficients
Yu, Zhangsheng; Liu, Lei; Bravata, Dawn M.; Williams, Linda S.; Tepper, Robert S.
2013-01-01
SUMMARY We consider a recurrent events model with time-varying coefficients motivated by two clinical applications. A random effects (Gaussian frailty) model is used to describe the intensity of recurrent events. The model can accommodate both time-varying and time-constant coefficients. The penalized spline method is used to estimate the time-varying coefficients. Laplace approximation is used to evaluate the penalized likelihood without a closed form. The smoothing parameters are estimated in a similar way to variance components. We conduct simulations to evaluate the performance of the estimates for both time-varying and time-independent coefficients. We apply this method to analyze two data sets: a stroke study and a child wheeze study. PMID:22903343
System to Measure Thermal Conductivity and Seebeck Coefficient for Thermoelectrics
Kim, Hyun-Jung; Skuza, Jonathan R.; Park, Yeonjoon; King, Glen C.; Choi, Sang H.; Nagavalli, Anita
2012-01-01
The Seebeck coefficient, when combined with thermal and electrical conductivity, is an essential property measurement for evaluating the potential performance of novel thermoelectric materials. However, there is some question as to which measurement technique(s) provides the most accurate determination of the Seebeck coefficient at elevated temperatures. This has led to the implementation of nonstandardized practices that have further complicated the confirmation of reported high ZT materials. The major objective of the procedure described is for the simultaneous measurement of the Seebeck coefficient and thermal diffusivity within a given temperature range. These thermoelectric measurements must be precise, accurate, and reproducible to ensure meaningful interlaboratory comparison of data. The custom-built thermal characterization system described in this NASA-TM is specifically designed to measure the inplane thermal diffusivity, and the Seebeck coefficient for materials in the ranging from 73 K through 373 K.
Scaling the Raman Gain Coefficient of Optical Fibers
DEFF Research Database (Denmark)
Rottwitt, Karsten; Bromage, J; Leng, L
2002-01-01
Scaling rules for the Raman gain coefficient are provided with emphasis on the effective area and wavelength dependence. Translation from measurements made at one pump wavelength to other pump wavelengths is demonstrated....
Equivalent absorption coefficients generated from frequency probability distributions
Ackerman, T. P.
1983-01-01
A flexible and computationally accurate method of treating aerosol scattering in spectral regions in which gaseous absorption is important is described. In the method, line-by-line absorption coefficients are computed as a function of pressure, temperature, and absorber gas for the spectral region of interest. The coefficients are sorted into a probability distribution which is converted into a cumulative probability distribution, which in turn can be inverted due to its monotonic nature. The inverted distribution is a smooth curve giving the absorption coefficient as a function of an independent variable on the domain. The frequency integration of the radiative transfer equation can then be performed by a quadrature technique with values of the absorption coefficient determined from the inverted distribution curve. The method is illustrated by applying it to the 9.6 micron band of ozone.
Stochastic modeling of the diffusion coefficient for concrete
DEFF Research Database (Denmark)
Thoft-Christensen, Palle
. A deterministic relationship between the diffusion coefficient and the w/c ratio and the temperature is used for the stochastic modelling. The w/c ratio and the temperature are modelled by log-normally and normally distributed stochastic variables, respectively. It is then shown by Monte Carlo simulation...... that the diffusion coefficient D may be modelled by a normally distributed stochastic variable. The sensitivities of D with regard to the mean values and the standard deviations are evaluated.......In the paper, a new stochastic modelling of the diffusion coefficient D is presented. The modelling is based on a physical understanding of the diffusion process and on some recent experimental results. The diffusion coefficient D is strongly dependent on the w/c ratio and the temperature...
Aerodynamic force coefficients of plain bridge cables in wet conditions
DEFF Research Database (Denmark)
Matteoni, Giulia; Georgakis, Christos T.
In this paper, the aerodynamic forces and force coefficients from preliminary static wind tunnel tests on a plain cable in wet conditions are presented. The presented results are for several different relative cable wind-angles. A comparison is made with tests in dry conditions. In dry conditions...... in the drag coefficient with increasing Reynolds number, accompanied by a near-zero lift coefficient, was observed. A theoretical evaluation of the aerodynamic damping assuming quasi-steady conditions reveals that changes in drag and lift coefficient are nonetheless not sufficient to generate negative...... aerodynamic damping. Analysis of the fluctuating lift component shows the presence of “enhanced” vortex shedding at specific wind velocities – similar to what might be observed in the presence of a tripping wire....
Determining Composite Validity Coefficients for Army Jobs and Job Families
National Research Council Canada - National Science Library
Zeidner, Joseph
2002-01-01
...) is to compute composite validity coefficients. using criterion data derived from the 1987 - 1989 Skill Qualifications Test program, for the 7-test ASVAB for 150, 17, and 9 job family structures...
Static and dynamic effective stress coefficient of chalk
DEFF Research Database (Denmark)
Alam, M. Monzurul; Fabricius, Ida Lykke; Christensen, Helle Foged
2012-01-01
Deformation of a hydrocarbon reservoir can ideally be used to estimate the effective stress acting on it. The effective stress in the subsurface is the difference between the stress due to the weight of the sediment and a fraction (effective stress coefficient) of the pore pressure. The effective...... stress coefficient is thus relevant for studying reservoir deformation and for evaluating 4D seismic for the correct pore pressure prediction. The static effective stress coefficient n is estimated from mechanical tests and is highly relevant for effective stress prediction because it is directly related...... to mechanical strain in the elastic stress regime. The corresponding dynamic effective stress coefficient α is easy to estimate from density and velocity of acoustic (elastic) waves. We studied n and α of chalk from the reservoir zone of the Valhall field, North Sea, and found that n and α vary...
Variable-coefficient nonisospectral Toda lattice hierarchy and its ...
Indian Academy of Sciences (India)
coefficient nonisospectral Toda lattice hierarchy; exact solution; compatibility condition; inverse scattering transformation. ... In order to solve the derived Toda lattice hierarchy, the inverse scattering transformation is utilized. As a result, new and ...
Multicomponent diffusion coefficients from microfluidics using Raman microspectroscopy.
Peters, Christine; Wolff, Ludger; Haase, Sandra; Thien, Julia; Brands, Thorsten; Koß, Hans-Jürgen; Bardow, André
2017-08-08
Diffusion is slow. Thus, diffusion experiments are intrinsically time-consuming and laborious. Additionally, the experimental effort is multiplied for multicomponent systems as the determination of multicomponent diffusion coefficients typically requires several experiments. To reduce the experimental effort, we present the first microfluidic diffusion measurement method for multicomponent liquid systems. The measurement setup combines a microfluidic chip with Raman microspectroscopy. Excellent agreement between experimental results and literature data is achieved for the binary system cyclohexane + toluene and the ternary system 1-propanol + 1-chlorobutane + heptane. The Fick diffusion coefficients are obtained from fitting a multicomponent convection-diffusion model to the mole fractions measured in experiments. Ternary diffusion coefficients can be obtained from a single experiment; high accuracy is already obtained from two experiments. Advantages of the presented measurement method are thus short measurement times, reduced sample consumption, and less experiments for the determination of a multicomponent diffusion coefficient.
Bounce resonance diffusion coefficients for spatially confined waves
National Research Council Canada - National Science Library
Li, Xinxin; Tao, Xin; Lu, Quanmin; Dai, Lei
2015-01-01
...; therefore, they are not directly applicable to waves that have a finite spatial extent. We theoretically derive and numerically validate a new set of bounce resonance diffusion coefficients for spatially confined waves...
Enhancements in Deriving Smoke Emission Coefficients from Fire Radiative Power Measurements
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.
Influence of effective stress coefficient on mechanical failure of chalk
DEFF Research Database (Denmark)
Alam, Mohammad Monzurul; Fabricius, Ida Lykke; Hjuler, M.L.
2012-01-01
The Effective stress coefficient is a measure of how chalk grains are connected with each other. The stiffness of chalk may decrease if the amount of contact cements between the grains decreases, which may lead to an increase of the effective stress coefficient. We performed CO2 injection in chal...... precise failure strength of chalk during changed stress state and under the influence of chemically reactive fluids during production of hydrocarbon and geological storage CO2....
Characterization of the effective electrostriction coefficients in ferroelectric thin films
Energy Technology Data Exchange (ETDEWEB)
Kholkin, A. L.; Akdogan, E. K.; Safari, A.; Chauvy, P.-F.; Setter, N.
2001-06-15
Electromechanical properties of a number of ferroelectric films including PbZr{sub x}Ti{sub 1{minus}x}O{sub 3}(PZT), 0.9PbMg{sub 1/3}Nb{sub 2/3}O{sub 3}{endash}0.1PbTiO{sub 3}(PMN-PT), and SrBi{sub 2}Ta{sub 2}O{sub 9}(SBT) are investigated using laser interferometry combined with conventional dielectric measurements. Effective electrostriction coefficients of the films, Q{sub eff}, are determined using a linearized electrostriction equation that couples longitudinal piezoelectric coefficient, d{sub 33}, with the polarization and dielectric constant. It is shown that, in PZT films, electrostriction coefficients slightly increase with applied electric field, reflecting the weak contribution of non-180{degree} domains to piezoelectric properties. In contrast, in PMN-PT and SBT films electrostriction coefficients are field independent, indicating the intrinsic nature of the piezoelectric response. The experimental values of Q{sub eff} are significantly smaller than those of corresponding bulk materials due to substrate clamping and possible size effects. Electrostriction coefficients of PZT layers are shown to depend strongly on the composition and preferred orientation of the grains. In particular, Q{sub eff} of (100) textured rhombohedral films (x=0.7) is significantly greater than that of (111) layers. Thus large anisotropy of the electrostrictive coefficients is responsible for recently observed large piezoelectric coefficients of (100) textured PZT films. Effective electrostriction coefficients obtained by laser interferometry allow evaluation of the electromechanical properties of ferroelectric films based solely on the dielectric parameters and thus are very useful in the design and fabrication of microsensors and microactuators. {copyright} 2001 American Institute of Physics.
The temperature variation of hydrogen diffusion coefficients in metal alloys
Danford, M. D.
1990-01-01
Hydrogen diffusion coefficients were measured as a function of temperature for a few metal alloys using an electrochemical evolution technique. Results from these measurements are compared to those obtained by the time-lag method. In all cases, diffusion coefficients obtained by the electrochemical method are larger than those by the time-lag method by an order of magnitude or more. These differences are attributed mainly to hydrogen trapping.
Age-dependent dose coefficients for tritium in Asian populations
Energy Technology Data Exchange (ETDEWEB)
Trivedi, A
1999-10-01
The International Commission on Radiological Protection (ICRP) Publications 56 (1989) and 67 (1993) have prescribed the biokinetic models and age-dependent dose coefficients for tritiated water and organically bound tritium. The dose coefficients are computed from values selected to specify the anatomical, morphological and physiological characteristics of a three-month-old, one-year-old, five-year-old, 10-year-old, 15-year-old and adult (Reference Man) Caucasian living in North America and Western Europe. However, values for Reference Man and other age groups are not directly applicable to Asians, because of differences in race, custom, dietary habits and climatic conditions. An Asian Man model, including five age groups, has been proposed by Tanaka and Kawamura (1996, 1998) for use in internal dosimetry. The basic concept of the ICRP Reference Man and the system describing body composition in ICRP Publication 23 (1975) were used. Reference values for Asians were given for the body weight and height, the mass of soft tissue, the mass of body water and the daily fluid balance, and are used to compute the dose coefficients for tritium. The age-dependent dose coefficients for Asians for tritiated water intakes are smaller by 20 to 30% of the currently prescribed values (Trivedi, 1998). The reduction in the dose coefficient values is caused by the increased daily fluid balance among Asians. The dose coefficient for tritiated water is 1.4 x 10{sup -11} Sv Bq{sup -1} for Asian Man compared to 2.0 x 10{sup -11} Sv Bq{sup -1} for Reference Man. The dose coefficients for organically bound tritium are only marginally different from those of the ICRP values. The dose coefficient for organically bound tritium for Asian Man is 4.0 x 10{sup -11} Sv Bq{sup -11} compared to 4.6 x 10{sup -11} Sv Bq{sup -1} for Reference Man. (author)
Characterization of the effective electrostriction coefficients in ferroelectric thin films
Kholkin, A. L.; Akdogan, E. K.; Safari, A.; Chauvy, P.-F.; Setter, N.
2001-06-01
Electromechanical properties of a number of ferroelectric films including PbZrxTi1-xO3(PZT), 0.9PbMg1/3Nb2/3O3-0.1PbTiO3(PMN-PT), and SrBi2Ta2O9(SBT) are investigated using laser interferometry combined with conventional dielectric measurements. Effective electrostriction coefficients of the films, Qeff, are determined using a linearized electrostriction equation that couples longitudinal piezoelectric coefficient, d33, with the polarization and dielectric constant. It is shown that, in PZT films, electrostriction coefficients slightly increase with applied electric field, reflecting the weak contribution of non-180° domains to piezoelectric properties. In contrast, in PMN-PT and SBT films electrostriction coefficients are field independent, indicating the intrinsic nature of the piezoelectric response. The experimental values of Qeff are significantly smaller than those of corresponding bulk materials due to substrate clamping and possible size effects. Electrostriction coefficients of PZT layers are shown to depend strongly on the composition and preferred orientation of the grains. In particular, Qeff of (100) textured rhombohedral films (x=0.7) is significantly greater than that of (111) layers. Thus large anisotropy of the electrostrictive coefficients is responsible for recently observed large piezoelectric coefficients of (100) textured PZT films. Effective electrostriction coefficients obtained by laser interferometry allow evaluation of the electromechanical properties of ferroelectric films based solely on the dielectric parameters and thus are very useful in the design and fabrication of microsensors and microactuators.
Estimating Crop Coefficients Using Remote Sensing-Based Vegetation Index
Directory of Open Access Journals (Sweden)
Kenneth Hubbard
2013-03-01
Full Text Available Crop coefficient (Kc-based estimation of crop evapotranspiration is one of the most commonly used methods for irrigation water management. However, uncertainties of the generalized dual crop coefficient (Kc method of the Food and Agricultural Organization of the United Nations Irrigation and Drainage Paper No. 56 can contribute to crop evapotranspiration estimates that are substantially different from actual crop evapotranspiration. Similarities between the crop coefficient curve and a satellite-derived vegetation index showed potential for modeling a crop coefficient as a function of the vegetation index. Therefore, the possibility of directly estimating the crop coefficient from satellite reflectance of a crop was investigated. The Kc data used in developing the relationship with NDVI were derived from back-calculations of the FAO-56 dual crop coefficients procedure using field data obtained during 2007 from representative US cropping systems in the High Plains from AmeriFlux sites. A simple linear regression model ( is developed to establish a general relationship between a normalized difference vegetation index (NDVI from a moderate resolution satellite data (MODIS and the crop coefficient (Kc calculated from the flux data measured for different crops and cropping practices using AmeriFlux towers. There was a strong linear correlation between the NDVI-estimated Kc and the measured Kc with an r2 of 0.91 and 0.90, while the root-mean-square error (RMSE for Kc in 2006 and 2007 were 0.16 and 0.19, respectively. The procedure for quantifying crop coefficients from NDVI data presented in this paper should be useful in other regions of the globe to understand regional irrigation water consumption.
Black holes, information, and the universal coefficient theorem
Energy Technology Data Exchange (ETDEWEB)
Patrascu, Andrei T. [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)
2016-07-15
General relativity is based on the diffeomorphism covariant formulation of the laws of physics while quantum mechanics is based on the principle of unitary evolution. In this article, I provide a possible answer to the black hole information paradox by means of homological algebra and pairings generated by the universal coefficient theorem. The unitarity of processes involving black holes is restored by the demanding invariance of the laws of physics to the change of coefficient structures in cohomology.
Batch derivation of piezoresistive coefficient tensor by matrix algebra
Bao, Minhang; Huang, Yiping
2004-03-01
To commemorate the important discovery of the piezoresistance effect of germanium and silicon by C S Smith half a century ago, we present a new method of deriving the piezoresistive (PR) coefficient tensor for diamond structure material using matrix algebra. Using this method, all the components of the PR coefficient tensor (of the fourth rank) in an arbitrary Cartesian coordinate system can be obtained in a batch and the relation between the components is clearly shown.
Determination of geopotential coefficients by efficient numerical integration techniques
Hansen, R. A.
An efficient, high accuracy, double integration method which evaluates the iterated form of the surface integral representations of the geopotential coefficients is presented. The efficiency and high accuracy of this method is obtained by the utilization of the Romberg numerical integration scheme. Additional efficiency is obtained by computing the inner integral which is common to many different coefficients only once. This method was tested using a test case earth which represented the basic features of the earth's potential field.
Analytic expressions for ULF wave radiation belt radial diffusion coefficients.
Ozeke, Louis G; Mann, Ian R; Murphy, Kyle R; Jonathan Rae, I; Milling, David K
2014-03-01
We present analytic expressions for ULF wave-derived radiation belt radial diffusion coefficients, as a function of L and Kp, which can easily be incorporated into global radiation belt transport models. The diffusion coefficients are derived from statistical representations of ULF wave power, electric field power mapped from ground magnetometer data, and compressional magnetic field power from in situ measurements. We show that the overall electric and magnetic diffusion coefficients are to a good approximation both independent of energy. We present example 1-D radial diffusion results from simulations driven by CRRES-observed time-dependent energy spectra at the outer boundary, under the action of radial diffusion driven by the new ULF wave radial diffusion coefficients and with empirical chorus wave loss terms (as a function of energy, Kp and L). There is excellent agreement between the differential flux produced by the 1-D, Kp-driven, radial diffusion model and CRRES observations of differential electron flux at 0.976 MeV-even though the model does not include the effects of local internal acceleration sources. Our results highlight not only the importance of correct specification of radial diffusion coefficients for developing accurate models but also show significant promise for belt specification based on relatively simple models driven by solar wind parameters such as solar wind speed or geomagnetic indices such as Kp. Analytic expressions for the radial diffusion coefficients are presentedThe coefficients do not dependent on energy or wave m valueThe electric field diffusion coefficient dominates over the magnetic.
Symmetry and piezoelectricity: evaluation of α-quartz coefficients
Tannous, C.
2017-11-01
Piezoelectric coefficients of α-quartz are derived from symmetry arguments based on Neumann’s principle using three different methods: Fumi, Landau-Lifshitz and Royer-Dieulesaint. While the Fumi method is tedious and the Landau-Lifshitz method requires additional physical principles to evaluate the piezoelectric coefficients, the Royer-Dieulesaint method is the most elegant and most efficient of the three techniques.
Minimum wall pressure coefficient of orifice plate energy dissipater
Wan-zheng AI; Wang, Jia-Hong
2015-01-01
Orifice plate energy dissipaters have been successfully used in large-scale hydropower projects due to their simple structure, convenient construction procedure, and high energy dissipation ratio. The minimum wall pressure coefficient of an orifice plate can indirectly reflect its cavitation characteristics: the lower the minimum wall pressure coefficient is, the better the ability of the orifice plate to resist cavitation damage is. Thus, it is important to study the minimum wall pressure co...
Null distribution of multiple correlation coefficient under mixture normal model
Ali, Hydar; Nagar, Daya K.
2002-01-01
The multiple correlation coefficient is used in a large variety of statistical tests and regression problems. In this article, we derive the null distribution of the square of the sample multiple correlation coefficient, R2, when a sample is drawn from a mixture of two multivariate Gaussian populations. The moments of 1−R2 and inverse Mellin transform have been used to derive the density of R2.
A probability distribution model for rain rate
Kedem, Benjamin; Pavlopoulos, Harry; Guan, Xiaodong; Short, David A.
1994-01-01
A systematic approach is suggested for modeling the probability distribution of rain rate. Rain rate, conditional on rain and averaged over a region, is modeled as a temporally homogeneous diffusion process with appropiate boundary conditions. The approach requires a drift coefficient-conditional average instantaneous rate of change of rain intensity-as well as a diffusion coefficient-the conditional average magnitude of the rate of growth and decay of rain rate about its drift. Under certain assumptions on the drift and diffusion coefficients compatible with rain rate, a new parametric family-containing the lognormal distribution-is obtained for the continuous part of the stationary limit probability distribution. The family is fitted to tropical rainfall from Darwin and Florida, and it is found that the lognormal distribution provides adequate fits as compared with other members of the family and also with the gamma distribution.
Comparative analyses of diffusion coefficients for different extraction processes from thyme
Directory of Open Access Journals (Sweden)
Petrovic Slobodan S.
2012-01-01
Full Text Available This work was aimed to analyze kinetics and mass transfer phenomena for different extraction processes from thyme (Thymus vulgaris L. leaves. Different extraction processes with ethanol were studied: Soxhlet extraction and ultrasound-assisted batch extraction on the laboratory scale as well as pilot plant batch extraction with mixing. The extraction processes with ethanol were compared to the process of supercritical carbon dioxide extraction performed at 10 MPa and 40°C. Experimental data were analyzed by mathematical model derived from the Fick’s second law to determine and compare diffusion coefficients in the periods of constant and decreasing extraction rate. In the fast extraction period, values of diffusion coefficients were one to three orders of magnitude higher compared to those determined for the period of slow extraction. The highest diffusion coefficient was reported for the fast extraction period of supercritical fluid extraction. In the case of extraction processes with ethanol, ultrasound, stirring and extraction temperature increase enhanced mass transfer rate in the washing phase. On the other hand, ultrasound contributed the most to the increase of mass transfer rate in the period of slow extraction.
Rossinskyi, Volodymyr
2018-02-01
The biological wastewater treatment technologies in anoxic and aerobic bioreactors with recycle of sludge mixture are used for the effective removal of organic compounds from wastewater. The change rate of sludge mixture recirculation between bioreactors leads to a change and redistribution of concentrations of organic compounds in sludge mixture in bioreactors and change hydrodynamic regimes in bioreactors. Determination of the coefficient of internal recirculation of sludge mixture between bioreactors is important for the choice of technological parameters of biological treatment (wastewater treatment duration in anoxic and aerobic bioreactors, flow capacity of recirculation pumps). Determination of the coefficient of internal recirculation of sludge mixture requires integrated consideration of hydrodynamic parameter (flow rate), kinetic parameter (rate of oxidation of organic compounds) and physical-chemical parameter of wastewater (concentration of organic compounds). The conducted numerical experiment from the proposed mathematical equations allowed to obtain analytical dependences of the coefficient of internal recirculation sludge mixture between bioreactors on the concentration of organic compounds in wastewater, the duration of wastewater treatment in bioreactors.
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.
Energy Technology Data Exchange (ETDEWEB)
Chakraborty, Prodyut R., E-mail: pchakraborty@iitj.ac.in [Department of Mechanical Engineering, Indian Institute of Technology Jodhpur, 342011 (India); Hiremath, Kirankumar R., E-mail: k.r.hiremath@iitj.ac.in [Department of Mathematics, Indian Institute of Technology Jodhpur, 342011 (India); Sharma, Manvendra, E-mail: PG201283003@iitj.ac.in [Defence Laboratory Jodhpur, Defence Research & Development Organisation, 342011 (India)
2017-02-05
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.
Coefficients of productivity for Yellowstone's grizzly bear habitat
Mattson, David John; Barber, Kim; Maw, Ralene; Renkin, Roy
2004-01-01
This report describes methods for calculating coefficients used to depict habitat productivity for grizzly bears in the Yellowstone ecosystem. Calculations based on these coefficients are used in the Yellowstone Grizzly Bear Cumulative Effects Model to map the distribution of habitat productivity and account for the impacts of human facilities. The coefficients of habitat productivity incorporate detailed information that was collected over a 20-year period (1977-96) on the foraging behavior of Yellowstone's bears and include records of what bears were feeding on, when and where they fed, the extent of that feeding activity, and relative measures of the quantity consumed. The coefficients also incorporate information, collected primarily from 1986 to 1992, on the nutrient content of foods that were consumed, their digestibility, characteristic bite sizes, and the energy required to extract and handle each food. Coefficients were calculated for different time periods and different habitat types, specific to different parts of the Yellowstone ecosystem. Stratifications included four seasons of bear activity (spring, estrus, early hyperphagia, late hyperphagia), years when ungulate carrion and whitebark pine seed crops were abundant versus not, areas adjacent to (bear activity in each region, habitat type, and time period were incorporated into calculations, controlling for the effects of proximity to human facilities. The coefficients described in this report and associated estimates of grizzly bear habitat productivity are unique among many efforts to model the conditions of bear habitat because calculations include information on energetics derived from the observed behavior of radio-marked bears.
Negative power coefficient on PHWRs with CARA fuel
Energy Technology Data Exchange (ETDEWEB)
Lestani, H.A., E-mail: lestanih@cab.cnea.gov.ar [Comisión Nacional de Energía Atómica – Centro Atómico Bariloche, Av. E. Bustillo 9500, S. C. de Bariloche, Río Negro (Argentina); Instituto Balseiro – Universidad Nacional de Cuyo, Av. E. Bustillo 9500, S. C. de Bariloche, Río Negro (Argentina); González, H.J., E-mail: jgonzalez@invap.com.ar [INVAP S.E., Av. Cmte. Luis Piedrabuena 4905 (Argentina); Instituto Balseiro – Universidad Nacional de Cuyo, Av. E. Bustillo 9500, S. C. de Bariloche, Río Negro (Argentina); Consejo Nacional de Investigaciones Científicas y Tecnológicas, Av. Rivadavia 1917, CABA, C1033AAJ (Argentina); Florido, P.C., E-mail: pcflorido@yahoo.com [Instituto Balseiro – Universidad Nacional de Cuyo, Av. E. Bustillo 9500, S. C. de Bariloche, Río Negro (Argentina)
2014-04-01
Highlights: • A PHWR fuel was optimized to obtain a negative power coefficient. • Fuel cost, being a measure of design investment efficiency, was optimized. • Influence on power coefficient of geometrical and economical parameters’ was studied. • Different neutronic absorbers were studied; pure absorbers can be used. • Thermal and economical models were developed to complement neutronic assessment. - Abstract: A study of power coefficient of reactivity in heavy water reactors is made analyzing the reactivity components of fuels with several modifications oriented at reducing the coefficient. A cell model is used for neutronics calculations; a non-linear two dimensional model is used to evaluate the thermal changes that follow a power change; and a levelized unit energy cost model is used to assess the economical feasibility of the design changes introduced to reduce power coefficient. The necessity of modelling all the aforementioned quantities in a coupled scheme is stressed, as a strong interdependence was found. A series of design changes complied with a negative power coefficient of reactivity, with a feasible power radial distribution and with low refuelling cost. Some investigation lines that exceed the fuel cell study and deal with the plant operation are marked as potentially addressing the stable operation of big heavy water reactors.
Non intrusive measurement of the convective heat transfer coefficient
Energy Technology Data Exchange (ETDEWEB)
Rebay, M.; Mebarki, G.; Padet, J. [Reims Univ., Reims (France). Faculty of Science, GRESPI Thermomechanical Lab; Arfaoui, A. [Reims Univ., Reims (France). Faculty of Science, GRESPI Thermomechanical Lab; Tunis Univ., Tunis (Tunisia). Faculty of Science, EL MANAR, LETTM; Maad, B.R. [Tunis Univ., Tunis (Tunisia). Faculty of Science, EL MANAR, LETTM
2010-07-01
The efficiency of cooling methods in thermal systems such as radiators and heat exchangers must be improved in order to enhance performance. The evaluation of the heat transfer coefficients between a solid and a fluid is necessary for the control and the dimensioning of thermal systems. In this study, the pulsed photothermal method was used to measure the convective heat transfer coefficient on a solid-fluid interface, notably between an air flow and a heated slab mounted on a PVC flat plate. This configuration simulated the electronic air-cooling inside enclosures and racks. The influence of the deflector's inclination angle on the enhancement of heat transfer was investigated using 2 newly developed identification models. The first model was based on a constant heat transfer coefficient during the pulsed experiment, while the second, improved model was based on a variable heat transfer coefficient. The heat transfer coefficient was deduced from the evolution of the transient temperature induced by a sudden deposit of a luminous energy on the front face of the slab. Temperature evolutions were derived by infrared thermography, a camera for cartography and a detector for precise measurement in specific locations. The results show the improvement of measurement accuracies when using a model that considers the temporal evolution of the convective heat transfer coefficient. The deflection of air flow on the upper surface of the heated slab demonstrated better cooling of the slab by the deflection of air flow. 11 refs., 1 tab., 8 figs.
Technique for Determining Lock Coefficient of Differential "Quif"
Directory of Open Access Journals (Sweden)
A. B. Fominyh
2015-01-01
Full Text Available Increasing the traction qualities of cars on the black ice and snow-covered roads is a relevant task. There are two ways to solve this task, i.e. optimize distribution of the power stream between the driving wheels of the car; introduce a differential (differentials of the increased friction in transmission.Now, an installation of the increased friction differential in transmission is the most widespread measure to increase traction properties of cars. The differential of design "Quif" is one of such differentials. To estimate the efficiency degree of using such a differential is possible either experimentally or theoretically. In case of theoretically determined usefulness of this differential design, as an estimate indicator of the differential installation in transmission a coefficient of lock is accepted.The article considers an algorithm and a technique to calculate a lock coefficient of the differential design "Quif" allowing us to define numeric values of the lock coefficient of such differential at designing stage. It also considers how the lock coefficient depends on the gearing angle and tilt angle of the gear wheel teeth of differential. The given estimating algorithm of designated parameter of differential has more logical and compact structure with regard to the known ones. The lock coefficient values calculated by the offered technique differ from the experimental data by no more than 12%. Taking into account abovementioned, the presented technique for calculating lock coefficient of differential "Quif" is advisable for practical application.
Amendt, Peter; Wilks, Scott
2012-01-01
The plasma analog of an adiabatic lapse rate (or temperature variation with height) in atmospheric physics is obtained. A new source of plasma temperature gradient in a binary ion species mixture is found that is proportional to the concentration gradient and difference in average ionization states . Application to inertial-confinement-fusion implosions indicates a potentially strong effect in plastic (CH) ablators that is not modeled with mainline (single-fluid) simulations. An associated plasma thermodiffusion coefficient is derived, and charge-state diffusion in a single-species plasma is also predicted.
Bodor, Sándor; Zook, Justin M; Lindner, Erno; Tóth, Klára; Gyurcsányi, Róbert E
2008-05-01
The diffusion coefficients of active components in ion-selective membranes have a decisive influence on the life-time and detection limit of the respective ion-selective electrodes, as well as influencing the rate of polarization and relaxation processes of electrically perturbed ion sensors. Therefore, the rational design of mass transport controlled ion-selective electrodes with sub-nanomolar detection limits requires reliable data on the diffusion coefficients. We have implemented electrochemical methods for the quantitative assessment of both the diffusion coefficients of free ionophores and ion-ionophore complexes. The diffusion coefficients of the pH-sensitive chromoionophore ETH 5294 and the calcium-selective ionophore ETH 5234 were determined in plasticized PVC membranes with different PVC to plasticizer ratios. The diffusion coefficient of the free chromoionophore determined by a chronoamperometric method was validated with optical methods for a variety of membrane compositions. The calcium-selective ionophore ETH 5234 was used as a model compound to assess the diffusion coefficient of the ion-ionophore complex calculated from the time required for the complexes to cross a freshly prepared membrane during potentiometric ion-breakthrough experiments. The difference between the diffusion coefficients of the free ionophore ETH 5234 and the ion-ionophore complex was found to be significant and correlated well with the geometry of the respective species.
2016-09-01
drag coefficient lift coefficient roll- torque coefficient pitching-moment coefficient angle-of...11 Fig. 6 Roll- torque coefficient for BF comparing dα variation to steady-state results, CFL = 10 and N = 50...Fig. 8 Roll- torque coefficient for BF for varying number of inner iterations, CFL = 10 and dα = 0.25
Prediction of the heat transfer coefficient for ice slurry flows in a horizontal pipe
Energy Technology Data Exchange (ETDEWEB)
Kousksou, T.; Jamil, A.; Zeraouli, Y. [Laboratoire de Thermique Energetique et Procedes, Avenue de l' Universite, BP 1155, 64013 Pau Cedex (France); El Rhafiki, T. [Laboratoire de Thermique Energetique et Procedes, Avenue de l' Universite, BP 1155, 64013 Pau Cedex (France); Laboratoire d' Energetique, Mecanique des Fluides et Sciences des Materiaux, Universite AbdelMalek Essaidi, 90000 Tetouan (Morocco)
2010-06-15
In this study, heat transfer for ice slurry flows was investigated. For the experiments, ice slurry was made from 9% ethanol-water solution flow in a 20 mm internal diameter, 1000 mm long horizontal copper tube. The ice slurry was heated by a cylindrical electrical resistance. Experiments of the melting process were conducted with changing the ice slurry mass flux rate and the heat flux. The enthalpy-porosity formulation was used to predict the ice slurry temperature and the local values of heat transfer coefficient in the exchanger. Measurements and data acquisition of ice slurry temperature and mass flow rate at the inlet and outlet are performed. It was found that the heat transfer rates increase with the mass flow rate, the ice fraction and the heat flux density. However, the effect of ice fraction appears not to be significant at high mass flow rates. In addition, the correlation proposed by Christensen and Kauffeld gives good agreement with numerical results. (author)
PATTERN OF CONSANGUINITY AND INBREEDING COEFFICIENT IN SARGODHA DISTRICT, PUNJAB, PAKISTAN.
Hina, Saira; Malik, Sajid
2015-11-01
Consanguinity is widespread in Pakistan. The majority of studies on consanguinity in Pakistan have been carried out in urban metropolitan areas, and data on rural populations are scarce. The present cross-sectional study was conducted in Sargodha district, upper Punjab, Pakistan where the majority of the population reside in rural areas. A random sample of 1800 married females belonging to six tehsils of Sargodha district was obtained and differentials in consanguinity rates and inbreeding coefficient (F) were investigated. The consanguinity rate was calculated to be 56.72% and the inbreeding coefficient was 0.0348. First cousin unions had the highest representation (49.11% of all marriages), and marriages up to distantly related/Biradari constituted 67.94% of all marriages. Among the six tehsils, consanguinity rates ranged from 50.38% in Bhalwal to 62.88% in Sillanwali. A high rate of consanguinity was observed in subjects speaking the Punjabi language, those with self-arranged/arranged-love marriages and those engaged in professional jobs. With respect to the occupation of husbands the highest consanguinity rate was found among landowners (77.59%; F=0.0539) and businessmen (62.62%; F=0.0377). However, consanguinity did not appear to be associated with rural/urban origin or literacy level. The data showed a wide variation in consanguinity rate and inbreeding coefficient across socio-demographic strata in the Sargodha district population. A comparison of Sargodha with other populations of Punjab also showed regional heterogeneity in the pattern of consanguinity, warranting further studies.
Directory of Open Access Journals (Sweden)
Qieni Lu
2015-08-01
Full Text Available We measure temperature dependence on Kerr coefficient and quadratic polarized optical coefficient of a paraelectric Mn:Fe:KTN crystal simultaneously in this work, based on digital holographic interferometry (DHI. And the spatial distribution of the field-induced refractive index change can also be visualized and estimated by numerically retrieving sequential phase maps of Mn:Fe:KTN crystal from recording digital holograms in different states. The refractive indices decrease with increasing temperature and quadratic polarized optical coefficient is insensitive to temperature. The experimental results suggest that the DHI method presented here is highly applicable in both visualizing the temporal and spatial behavior of the internal electric field and accurately measuring electro-optic coefficient for electrooptical media.
Information Filtering via Clustering Coefficients of User-Object Bipartite Networks
Guo, Qiang; Leng, Rui; Shi, Kerui; Liu, Jian-Guo
The clustering coefficient of user-object bipartite networks is presented to evaluate the overlap percentage of neighbors rating lists, which could be used to measure interest correlations among neighbor sets. The collaborative filtering (CF) information filtering algorithm evaluates a given user's interests in terms of his/her friends' opinions, which has become one of the most successful technologies for recommender systems. In this paper, different from the object clustering coefficient, users' clustering coefficients of user-object bipartite networks are introduced to improve the user similarity measurement. Numerical results for MovieLens and Netflix data sets show that users' clustering effects could enhance the algorithm performance. For MovieLens data set, the algorithmic accuracy, measured by the average ranking score, can be improved by 12.0% and the diversity could be improved by 18.2% and reach 0.649 when the recommendation list equals to 50. For Netflix data set, the accuracy could be improved by 14.5% at the optimal case and the popularity could be reduced by 13.4% comparing with the standard CF algorithm. Finally, we investigate the sparsity effect on the performance. This work indicates the user clustering coefficients is an effective factor to measure the user similarity, meanwhile statistical properties of user-object bipartite networks should be investigated to estimate users' tastes.
Determination of drying kinetics and convective heat transfer coefficients of ginger slices
Akpinar, Ebru Kavak; Toraman, Seda
2016-10-01
In the present work, the effects of some parametric values on convective heat transfer coefficients and the thin layer drying process of ginger slices were investigated. Drying was done in the laboratory by using cyclone type convective dryer. The drying air temperature was varied as 40, 50, 60 and 70 °C and the air velocity is 0.8, 1.5 and 3 m/s. All drying experiments had only falling rate period. The drying data were fitted to the twelve mathematical models and performance of these models was investigated by comparing the determination of coefficient ( R 2), reduced Chi-square ( χ 2) and root mean square error between the observed and predicted moisture ratios. The effective moisture diffusivity and activation energy were calculated using an infinite series solution of Fick's diffusion equation. The average effective moisture diffusivity values and activation energy values varied from 2.807 × 10-10 to 6.977 × 10-10 m2/s and 19.313-22.722 kJ/mol over the drying air temperature and velocity range, respectively. Experimental data was used to evaluate the values of constants in Nusselt number expression by using linear regression analysis and consequently, convective heat transfer coefficients were determined in forced convection mode. Convective heat transfer coefficient of ginger slices showed changes in ranges 0.33-2.11 W/m2 °C.
Wilusz, A. W.; Liu, X.; Ni, R.
2016-12-01
In sediment transport, particle collision, in conjunction with the associated momentum and energy loss, is a significant factor in determining particle trajectory. A portion of the momentum and energy lost can be attributed to viscous damping. Viscous damping plays a significant role in low momentum impacts where there is no significant particle deformation upon collision. Previous research has indicated that, for certain particle collisions, the particle motion can almost be completely dampened by this process. Viscous loss can be quantified by the coefficient of restitution. In numerical simulations, this coefficient has been applied to determine the downstream rebound velocity, with lower values resulting in greater momentum loss and higher values resulting in less momentum loss. Previous attempts to determine the coefficient of restitution have resulted in a wide range of values that are inconsistent with each other. One reason is that previous works have focused on a single or limited range of impact scenarios. The second reason is that many previous research studies were limited to 2-dimensional analysis methods which provided a less accurate picture at the moment of impact. This research uses modern 3-dimensional particle tracking technique and a wide range of impact scenarios to redefine the coefficient of restitution for low momentum impacts. The effect of video frame rate is also analyzed to capture the moment of impact.
The effect of non-equilibrium condensation on the drag coefficient in a transonic airfoil flow
Kim, I. W.; Alam, M. M. A.; Lee, S. J.; Kwon, Y. D.; Kwon, S. B.
2012-12-01
In this study, a transonic flow past NACA0012 profile at angle of attack α=00 whose aspect ratio AR is 1.0 with non-equilibrium condensation is analyzed by numerical analysis using a TVD scheme and is investigated using an intermittent indraft type supersonic wind tunnel. Transonic flows of 0.78-0.90 in free stream Mach number with the variations of the stagnation relative humidity(Φ0) are tested. For the same free stream Mach number, the increase in Φ0 causes decrease in the drag coefficient of profile which is composed of the drag components of form, viscous and wave. In the case of the same M∞ and T0, for more than Φ0=30%, despite the irreversibility of process in non-equilibrium condensation, the drag by shock wave decreases considerably with the increase of Φ0. On the other hand, it shows that the effect of condensation on the drag coefficients of form and viscous is negligible. As an example, the decreasing rate in the drag coefficient of profile caused by the influence of non-equilibrium condensation for the case of M∞=0.9 and Φ0 =50% amounts to 34%. Also, it were turned out that the size of supersonic bubble (that is, the maximum height of supersonic zone) and the deviation of pressure coefficient from the value for M=1 decrease with the increase of Φ0 for the same M∞.